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MIT All Small Molecules project

V 4.4. Complete data set.

Current top database number 20199
CURRENT DATABASE (AUG 2017)
EPISUITE OUTPUT AND PREDICTIONS
SMILESDatabase numberMolecular WeightFormulaIUPAC chemical nameMetalloid (B, Si, Se, As)Number of atomsNon-H atomsEPISUITE-compatible SMILESInChI CodeInChI KeyBoiling PointBP basisEPIsuite outputMP BasisProduced by lifeREF for life (see end for ref list)
[H][H]12.016H2dihydrogenN20[H][H]InChI=1S/H2/h1HInChIKey=UFHFLCQGNIYNRP-UHFFFAOYSA-N-250.3Ex 439.86(BP est) 146.26(MP est) ----(BP exp) ----(MP exp) [H][H] 146.3PredY(Nandi and Sengupta 1998)
C216.043CH4methaneN51CInChI=1S/CH4/h1H4InChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N-161.8Ex -62.40(BP est) -152.93(MP est) -161.50(BP exp) -182.40(MP exp) C -182.4ExptY(Irwin et al. 2012, ExPaSy 2015)
N317.031H3NammoniaN41NInChI=1S/H3N/h1H3InChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N-33.6Ex 602.75(BP est) 260.60(MP est) ----(BP exp) ----(MP exp) N 260.6PredY(Irwin et al. 2012, ExPaSy 2015)
O418.015H2OwaterN31OInChI=1S/H2O/h1H2InChIKey=XLYOFNOQVPJJNP-UHFFFAOYSA-N100.5Ex 439.86(BP est) 146.26(MP est) ----(BP exp) ----(MP exp) O 146.3PredY
C#C626.038C2H2ethyneN42C#CInChI=1S/C2H2/c1-2/h1-2HInChIKey=HSFWRNGVRCDJHI-UHFFFAOYSA-N-84.4Ex -36.63(BP est) -154.04(MP est) -84.70(BP exp) -80.70(MP exp) C#C -80.7ExptY(Belay and Daniels 1987)
C#N727.026CHNhydrogen cyanideN32C#NInChI=1S/CHN/c1-2/h1HInChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N6.0Ex 48.73(BP est) -87.99(MP est) 25.60(BP exp) -13.40(MP exp) C#N -13.4ExptY(Irwin et al. 2012, Graham 2013, DNP 2017)
N#N928.014N2dinitrogenN22N#NInChI=1S/N2/c1-2InChIKey=IJGRMHOSHXDMSA-UHFFFAOYSA-N-147.0Ex 765.65(BP est) 336.69(MP est) -195.79(BP exp) -210.01(MP exp) N#N -210ExptY
C=C1028.054C2H4etheneN62C=CInChI=1S/C2H4/c1-2/h1-2H2InChIKey=VGGSQFUCUMXWEO-UHFFFAOYSA-N-103.9Ex -49.21(BP est) -150.85(MP est) -103.70(BP exp) -169.00(MP exp) C=C -169ExptY(Belay and Daniels 1987, Belay and Daniels 1987)
C=O1130.026CH2OformaldehydeN42C=OInChI=1S/CH2O/c1-2/h1H2InChIKey=WSFSSNUMVMOOMR-UHFFFAOYSA-N-19.7Ex 9.50(BP est) -110.94(MP est) -19.10(BP exp) -92.00(MP exp) C=O -92ExptY(Irwin et al. 2012, Graham 2013)
CC1230.07C2H6ethaneN82CCInChI=1S/C2H6/c1-2/h1-2H3InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N-88.5Ex -35.99(BP est) -147.77(MP est) -88.60(BP exp) -182.80(MP exp) CC -182.8ExptY(Belay and Daniels 1987, Belay and Daniels 1987, DNP 2017)
[N]=O1331.014HNOnitrosyl hydrideN32[N]=OInChI=1S/HNO/c1-2/h1HInChIKey=ODUCDPQEXGNKDN-UHFFFAOYSA-N-113.9Ex 461.55(BP est) 171.23(MP est) -151.70(BP exp) -163.60(MP exp) [N]=O -163.6ExptY(Fukuto et al. 2012)
NC1431.058CH5NmethanamineN72NCInChI=1S/CH5N/c1-2/h2H2,1H3InChIKey=BAVYZALUXZFZLV-UHFFFAOYSA-N-6.5Ex 10.16(BP est) -98.30(MP est) -6.30(BP exp) -93.40(MP exp) NC -93.4ExptY(Herrmann and Jüttner 1977, Irwin et al. 2012, DNP 2017)
O=O1531.998O2dioxygenN22O=OInChI=1S/O2/c1-2InChIKey=MYMOFIZGZYHOMD-UHFFFAOYSA-N-183.0Ex 446.88(BP est) 160.46(MP est) -182.96(BP exp) -218.40(MP exp) O=O -218.4ExptY(Fukuto et al. 2012)
OC1632.042CH4OmethanolN62OCInChI=1S/CH4O/c1-2/h2H,1H3InChIKey=OKKJLVBELUTLKV-UHFFFAOYSA-N64.8Ex 39.35(BP est) -101.00(MP est) 64.70(BP exp) -97.60(MP exp) OC -97.6ExptY(O'Toole 1997)
NN1732.046H4N2hydrazineN62NNInChI=1S/H4N2/c1-2/h1-2H2InChIKey=OAKJQQAXSVQMHS-UHFFFAOYSA-N113.3Ex 499.25(BP est) 198.90(MP est) 113.50(BP exp) 2.00(MP exp) NN 2ExptY(Blair and Sperry 2013)
NO1833.03H3NOhydroxylamineN52NOInChI=1S/H3NO/c1-2/h2H,1H2InChIKey=AVXURJPOCDRRFD-UHFFFAOYSA-N110.0Ex 520.47(BP est) 204.33(MP est) ----(BP exp) 33.00(MP exp) NO 33ExptY(Schalk et al. 2000, Jetten et al. 2001)
P1933.9978H3PphosphaneN41PInChI=1S/H3P/h1H3InChIKey=XYFCBTPGUUZFHI-UHFFFAOYSA-N-87.3Ex 468.18(BP est) 162.02(MP est) -87.70(BP exp) -133.00(MP exp) P -133ExptY(Ding et al. 2005)
OO2034.014H2O2hydrogen peroxideN42OOInChI=1S/H2O2/c1-2/h1-2HInChIKey=MHAJPDPJQMAIIY-UHFFFAOYSA-N150.4Ex 509.73(BP est) 205.04(MP est) 152.00(BP exp) -0.43(MP exp) OO -0.4ExptY(Fukuto et al. 2012)
C(F)2134.0334CH3FfluoromethaneN52C(F)InChI=1S/CH3F/c1-2/h1H3InChIKey=NBVXSUQYWXRMNV-UHFFFAOYSA-N-78.5Ex -62.24(BP est) -160.77(MP est) -78.40(BP exp) -141.80(MP exp) C(F) -141.8ExptN
S2234.076CH3Fhydrogen sulfideN31SInChI=1S/H2S/h1H2InChIKey=RWSOTUBLDIXVET-UHFFFAOYSA-N-60.4Ex 473.12(BP est) 173.17(MP est) ----(BP exp) ----(MP exp) S 173.2PredY(Swiegers and Pretorius 2005, Irwin et al. 2012)
C1=CC12740.065C3H4cyclopropeneN73C1=CC1InChI=1S/C3H4/c1-2-3-1/h1-2H,3H2InChIKey=OOXWYYGXTJLWHA-UHFFFAOYSA-N-36.0Ex 8.51(BP est) -117.67(MP est) ----(BP exp) ----(MP exp) C1=CC1 -117.7PredN
CC#C2840.065C3H4prop-1-yneN73CC#CInChI=1S/C3H4/c1-3-2/h1H,2H3InChIKey=MWWATHDPGQKSAR-UHFFFAOYSA-N-23.4Ex 1.94(BP est) -107.57(MP est) -23.20(BP exp) -102.70(MP exp) CC#C -102.7ExptY(Fuentes et al. 1996)
C=C=C2940.065C3H4propa-1,2-dieneN73C=C=CInChI=1S/C3H4/c1-3-2/h1-2H2InChIKey=IYABWNGZIDDRAK-UHFFFAOYSA-N-28.3Ex -18.32(BP est) -132.94(MP est) -34.40(BP exp) -136.20(MP exp) C=C=C -136.2ExptY(de Lacy Costello et al. 2014)
C1=CN13041.053C2H3N1H-azirineN63C1=CN1InChI=1S/C2H3N/c1-2-3-1/h1-3HInChIKey=ZHKJHQBOAJQXQR-UHFFFAOYSA-N51.3Ex 51.29(BP est) -58.30(MP est) ----(BP exp) ----(MP exp) C1=CN1 -58.3PredN
N#CC3141.053C2H3NacetonitrileN63N#CCInChI=1S/C2H3N/c1-2-3/h1H3InChIKey=WEVYAHXRMPXWCK-UHFFFAOYSA-N81.5Ex 71.84(BP est) -83.79(MP est) 59.60(BP exp) -45.00(MP exp) N#CC -45ExptY(Wheatley et al. 1997, de Lacy Costello et al. 2014)
C[N+]#[C-]3241.053C2H3NisocyanomethaneN63CN#CInChI=1S/C2H3N/c1-3-2/h1H3InChIKey=ZRKSVHFXTRFQFL-UHFFFAOYSA-N59.0Ex -62.40(BP est) -152.93(MP est) ----(BP exp) ----(MP exp) CN#C -152.9PredY(Duque et al. 2001)
C1=CO13542.037C2H2OoxireneN53C1=CO1InChI=1S/C2H2O/c1-2-3-1/h1-2HInChIKey=BJEYNNFDAPPGST-UHFFFAOYSA-N15.8Ex 15.84(BP est) -107.88(MP est) ----(BP exp) ----(MP exp) C1=CO1 -107.9PredN
N#CN3642.041CH2N2cyanamideN53N#CNInChI=1S/CH2N2/c2-1-3/h2H2InChIKey=XZMCDFZZKTWFGF-UHFFFAOYSA-N112.0Ex 112.00(BP est) -36.07(MP est) ----(BP exp) 44.00(MP exp) N#CN 44ExptY(DNP 2017)
C(C1)(C1)3742.081C3H6cyclopropaneN93C(C1)(C1)InChI=1S/C3H6/c1-2-3-1/h1-3H2InChIKey=LVZWSLJZHVFIQJ-UHFFFAOYSA-N-27.6Ex 4.93(BP est) -119.10(MP est) -32.80(BP exp) -127.40(MP exp) C(C1)(C1) -127.4ExptY(de Lacy Costello et al. 2014)
CC=C3842.081C3H6prop-1-eneN93CC=CInChI=1S/C3H6/c1-3-2/h3H,1H2,2H3InChIKey=QQONPFPTGQHPMA-UHFFFAOYSA-N-47.8Ex -9.84(BP est) -135.38(MP est) -48.00(BP exp) -185.00(MP exp) CC=C -185ExptY(Fuentes et al. 1996)
OC#N3943.025CHNOcyanic acidN43OC#NInChI=1S/CHNO/c2-1-3/h3HInChIKey=XLJMAIOERFSOGZ-UHFFFAOYSA-N23.4Ex 153.59(BP est) -35.15(MP est) 23.00(BP exp) -86.00(MP exp) OC#N -86ExptY(Stratford et al. 1994)
N=[N+]=[N-]4043.029HN3hydrogen azideN43N=[N+]=[N-]InChI=1S/HN3/c1-3-2/h1HInChIKey=JUINSXZKUKVTMD-UHFFFAOYSA-N37.0Ex 673.08(BP est) 293.45(MP est) 37.00(BP exp) -80.00(MP exp) N=[N+]=[N-] -80ExptY(de Lacy Costello et al. 2014)
C1CN14143.069C2H5NaziridineN83C1CN1InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2InChIKey=NOWKCMXCCJGMRR-UHFFFAOYSA-N56.1Ex 47.89(BP est) -59.67(MP est) 56.00(BP exp) -77.90(MP exp) C1CN1 -77.9ExptY(Ismail et al. 2009)
C=CN4243.069C2H5NethenamineN83C=CNInChI=1S/C2H5N/c1-2-3/h2H,1,3H2InChIKey=UYMKPFRHYYNDTL-UHFFFAOYSA-N34.9Ex 34.93(BP est) -86.31(MP est) ----(BP exp) ----(MP exp) C=CN -86.3PredN
CN=C4343.069C2H5NN-methylmethanimineN83CN=CInChI=1S/C2H5N/c1-3-2/h1H2,2H3InChIKey=NYVSDPNXBIEFPW-UHFFFAOYSA-N-35.0Ex -5.97(BP est) -138.61(MP est) ----(BP exp) ----(MP exp) CN=C -138.6PredN
O=C=O4644.009CO2carbon dioxideN33O=C=OInChI=1S/CO2/c2-1-3InChIKey=CURLTUGMZLYLDI-UHFFFAOYSA-N-84.1Ex -16.00(BP est) -105.19(MP est) -78.48(BP exp) -56.50(MP exp) O=C=O -56.5ExptY(Irwin et al. 2012, ExPaSy 2015)
C#C(F)4744.0284C2HFfluoroethyneN43C#C(F)InChI=1S/C2HF/c1-2-3/h1HInChIKey=IAWCIZWLKMTPLL-UHFFFAOYSA-N-105.0Ex -23.21(BP est) -120.26(MP est) ----(BP exp) ----(MP exp) C#C(F) -120.3PredN
O=CC4844.053C2H4OacetaldehydeN73O=CCInChI=1S/C2H4O/c1-2-3/h2H,1H3InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N20.7Ex 33.83(BP est) -106.38(MP est) 20.10(BP exp) -123.00(MP exp) O=CC -123ExptY(Diaz et al. 2002, Swiegers and Pretorius 2005, Irwin et al. 2012)
C1CO14944.053C2H4OoxiraneN73C1CO1InChI=1S/C2H4O/c1-2-3-1/h1-2H2InChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N10.4Ex 12.29(BP est) -109.30(MP est) 10.60(BP exp) -111.70(MP exp) C1CO1 -111.7ExptY(de Bont and Albers 1976, Abeles and Dunn 1985)
N1NC15044.057CH4N2diaziridineN73N1NC1InChI=1S/CH4N2/c1-2-3-1/h2-3H,1H2InChIKey=DIXBSCZRIZDQGC-UHFFFAOYSA-N88.5Ex 88.51(BP est) -0.94(MP est) ----(BP exp) ----(MP exp) N1NC1 -0.9PredN
CCC5144.097C3H8propaneN113CCCInChI=1S/C3H8/c1-3-2/h3H2,1-2H3InChIKey=ATUOYWHBWRKTHZ-UHFFFAOYSA-N-42.5Ex -7.76(BP est) -133.89(MP est) -42.10(BP exp) -187.60(MP exp) CCC -187.6ExptY(Fuentes et al. 1996)
O=CN5245.041CH3NOformamideN63O=CNInChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)InChIKey=ZHNUHDYFZUAESO-UHFFFAOYSA-N216.2Ex 158.06(BP est) 28.99(MP est) 220.00(BP exp) 2.55(MP exp) O=CN 2.6ExptY(Bender 2012)
CNC5345.085C2H7NdimethylamineN103CNCInChI=1S/C2H7N/c1-3-2/h3H,1-2H3InChIKey=ROSDSFDQCJNGOL-UHFFFAOYSA-N7.0Ex 16.06(BP est) -106.24(MP est) 6.80(BP exp) -92.20(MP exp) CNC -92.2ExptY(Fox and Wallace 1997, Fox and Wallace. 1997, DNP 2017)
NCC5445.085C2H7NethanamineN103NCCInChI=1S/C2H7N/c1-2-3/h2-3H2,1H3InChIKey=QUSNBJAOOMFDIB-UHFFFAOYSA-N16.4Ex 36.90(BP est) -84.86(MP est) 16.60(BP exp) 109.50(MP exp) NCC 109.5ExptY(Fox and Wallace. 1997, Irwin et al. 2012, DNP 2017)
O=N[O-]5546.0055NO2-nitriteN33O=N[O-]InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1InChIKey=IOVCWXUNBOPUCH-UHFFFAOYSA-M1.7Ex 541.02(BP est) 219.55(MP est) ----(BP exp) ----(MP exp) O=N[O-] 219.6PredY(Phillips 1971, Suschek et al. 2006)
O=CO5746.025CH2O2formic acidN53O=COInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)InChIKey=BDAGIHXWWSANSR-UHFFFAOYSA-N100.5Ex 100.90(BP est) -24.95(MP est) 101.00(BP exp) 8.30(MP exp) O=CO 8.3ExptY(Stavrakou et al. 2011, Irwin et al. 2012, Stavrakou et al. 2012, DNP 2017)
C=C(F)5846.0444C2H3FfluoroetheneN63C=C(F)InChI=1S/C2H3F/c1-2-3/h2H,1H2InChIKey=XUCNUKMRBVNAPB-UHFFFAOYSA-N-67.2Ex -35.33(BP est) -148.16(MP est) -72.00(BP exp) -160.50(MP exp) C=C(F) -160.5ExptN
OCC5946.069C2H6OethanolN93OCCInChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N78.2Ex 65.11(BP est) -87.84(MP est) 78.20(BP exp) -114.10(MP exp) OCC -114.1ExptY(Diaz et al. 2002, Irwin et al. 2012, ExPaSy 2015)
COC6046.069C2H6OmethoxymethaneN93COCInChI=1S/C2H6O/c1-3-2/h1-2H3InChIKey=LCGLNKUTAGEVQW-UHFFFAOYSA-N-24.7Ex -6.68(BP est) -128.10(MP est) -24.80(BP exp) -141.50(MP exp) COC -141.5ExptY(de Lacy Costello et al. 2014)
NNC6246.073CH6N2methylhydrazineN93NNCInChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3InChIKey=HDZGCSFEDULWCS-UHFFFAOYSA-N87.9Ex 59.42(BP est) -57.59(MP est) 87.50(BP exp) -52.40(MP exp) NNC -52.4ExptY(Pyysalo 1975)
CNO6347.057CH5NON-methylhydroxylamineN83CNOInChI=1S/CH5NO/c1-2-3/h2-3H,1H3InChIKey=CPQCSJYYDADLCZ-UHFFFAOYSA-N115.0Ex 104.55(BP est) -55.63(MP est) ----(BP exp) 87.50(MP exp) CNO 87.5ExptN
NOC6447.057CH5NOO-methylhydroxylamineN83NOCInChI=1S/CH5NO/c1-3-2/h2H2,1H3InChIKey=GMPKIPWJBDOURN-UHFFFAOYSA-N49.1Ex 37.92(BP est) -79.08(MP est) 49.50(BP exp) ----(MP exp) NOC -79.1PredN
P=O6647.9808HOPoxophosphaneN32P=OInChI=1S/HOP/c1-2/h2HInChIKey=AUONHKJOIZSQGR-UHFFFAOYSA-N2.0Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) P=O 90.3PredN
O=[O+][O-]6747.997O3ozoneN33O=O=OInChI=1S/O3/c1-3-2InChIKey=CBENFWSGALASAD-UHFFFAOYSA-N-112.0Ex 446.88(BP est) 160.46(MP est) -111.90(BP exp) -193.00(MP exp) O=O=O -193ExptY(Babior et al. 2003)
CP6848.0248CH5PmethylphosphaneN72CPInChI=1S/CH5P/c1-2/h2H2,1H3InChIKey=SAWKFRBJGLMMES-UHFFFAOYSA-N-17.1Ex 6.93(BP est) -125.19(MP est) ----(BP exp) ----(MP exp) CP -125.2PredN
COO6948.041CH4O2hydroperoxymethaneN73COOInChI=1S/CH4O2/c1-3-2/h2H,1H3InChIKey=MEUKEBNAABNAEX-UHFFFAOYSA-N90.0Ex 49.69(BP est) -74.09(MP est) ----(BP exp) ----(MP exp) COO -74.1PredN
C(CF)7048.0604C2H5FfluoroethaneN83C(CF)InChI=1S/C2H5F/c1-2-3/h2H2,1H3InChIKey=UHCBBWUQDAVSMS-UHFFFAOYSA-N-37.8Ex -33.19(BP est) -146.66(MP est) -37.60(BP exp) -143.20(MP exp) C(CF) -143.2ExptN
SC7148.103CH4SmethanethiolN62SCInChI=1S/CH4S/c1-2/h2H,1H3InChIKey=LSDPWZHWYPCBBB-UHFFFAOYSA-N6.0Ex 32.01(BP est) -115.32(MP est) 5.90(BP exp) -123.00(MP exp) SC -123ExptY(Schulz and Dickschat 2007, Irwin et al. 2012, DNP 2017)
NP7249.0128H4NPphosphanamineN62NPInChI=1S/H4NP/c1-2/h1-2H2InChIKey=XQJHRCVXRAJIDY-UHFFFAOYSA-N41.1Ex 497.87(BP est) 195.11(MP est) ----(BP exp) ----(MP exp) NP 195.1PredN
NC(F)7349.0484CH4FNfluoromethanamineN73NC(F)InChI=1S/CH4FN/c2-1-3/h1,3H2InChIKey=BYVCDJVESPBRQW-UHFFFAOYSA-N12.8Ex 12.81(BP est) -97.23(MP est) ----(BP exp) ----(MP exp) NC(F) -97.2PredN
OC(F)7750.0324CH3FOfluoromethanolN63OC(F)InChI=1S/CH3FO/c2-1-3/h3H,1H2InChIKey=RLWXXXHAQBWSPA-UHFFFAOYSA-N41.9Ex 41.91(BP est) -99.96(MP est) ----(BP exp) ----(MP exp) OC(F) -100PredN
C#CC#C7850.06C4H2buta-1,3-diyneN64C#CC#CInChI=1S/C4H2/c1-3-4-2/h1-2HInChIKey=LLCSWKVOHICRDD-UHFFFAOYSA-N10.4Ex 38.22(BP est) -67.86(MP est) 10.30(BP exp) -36.40(MP exp) C#CC#C -36.4ExptN
CCl7950.485CH3ClchloromethaneN52CClInChI=1S/CH3Cl/c1-2/h1H3InChIKey=NEHMKBQYUWJMIP-UHFFFAOYSA-N-20.2Ex 10.88(BP est) -124.76(MP est) -24.00(BP exp) -97.70(MP exp) CCl -97.7ExptY(Gribble 2003)
C#CC#N8051.048C3HNpropiolonitrileN54C#CC#NInChI=1S/C3HN/c1-2-3-4/h1HInChIKey=LNDJVIYUJOJFSO-UHFFFAOYSA-N42.4Ex 104.88(BP est) -45.03(MP est) ----(BP exp) ----(MP exp) C#CC#N -45PredN
C(F)(F)8452.0238CH2F2difluoromethaneN53C(F)(F)InChI=1S/CH2F2/c2-1-3/h1H2InChIKey=RWRIWBAIICGTTQ-UHFFFAOYSA-N-51.7Ex -59.36(BP est) -159.64(MP est) -51.60(BP exp) -136.00(MP exp) C(F)(F) -136ExptN
N#CC#N8552.036C2N2cyanogenN44N#CC#NInChI=1S/C2N2/c3-1-2-4InChIKey=JMANVNJQNLATNU-UHFFFAOYSA-N-21.6Ex 165.13(BP est) -24.06(MP est) -21.10(BP exp) -27.90(MP exp) N#CC#N -27.9ExptN
C=CC#C8652.076C4H4but-1-en-3-yneN84C=CC#CInChI=1S/C4H4/c1-3-4-2/h1,4H,2H2InChIKey=WFYPICNXBKQZGB-UHFFFAOYSA-N5.0Ex 26.97(BP est) -95.51(MP est) 5.10(BP exp) ----(MP exp) C=CC#C -95.5PredY(de Lacy Costello et al. 2014)
C=C=C=C8752.076C4H4buta-1,2,3-trieneN84C=C=C=CInChI=1S/C4H4/c1-3-4-2/h1-2H2InChIKey=WHVXVDDUYCELKP-UHFFFAOYSA-N11.5Ex 11.52(BP est) -115.34(MP est) ----(BP exp) ----(MP exp) C=C=C=C -115.3PredN
B1(C=C1)N8852.871C2H4BN1H-boriren-1-amineN84B1(C=C1)NInChI=1S/C2H4BN/c4-3-1-2-3/h1-2H,4H2InChIKey=FHVGOTISGJPPFJ-UHFFFAOYSA-N48.6Ex 48.60(BP est) -73.90(MP est) ----(BP exp) ----(MP exp) B1(C=C1)N -73.9PredN
C=CC#N9053.064C3H3NacrylonitrileN74C=CC#NInChI=1S/C3H3N/c1-2-3-4/h2H,1H2InChIKey=NLHHRLWOUZZQLW-UHFFFAOYSA-N77.2Ex 94.65(BP est) -72.38(MP est) 77.30(BP exp) -83.50(MP exp) C=CC#N -83.5ExptY(de Lacy Costello et al. 2014)
[C-]#[N+]C=C9153.064C3H3NisocyanoetheneN74C#NC=CInChI=1S/C3H3N/c1-3-4-2/h3H,1H2InChIKey=FOSDKQXKZPWNNK-UHFFFAOYSA-N-35.5Ex -35.49(BP est) -140.32(MP est) ----(BP exp) ----(MP exp) C#NC=C -140.3PredN
C1=CC1=O9554.048C3H2Ocycloprop-2-en-1-oneN64C1=CC1=OInChI=1S/C3H2O/c4-3-1-2-3/h1-2HInChIKey=GGRQLKPIJPFWEZ-UHFFFAOYSA-N81.8Ex 81.79(BP est) -62.17(MP est) ----(BP exp) ----(MP exp) C1=CC1=O -62.2PredN
C=C=C=O9654.048C3H2Opropa-1,2-dien-1-oneN64C=C=C=OInChI=1S/C3H2O/c1-2-3-4/h1H2InChIKey=TURAMGVWNUTQKH-UHFFFAOYSA-N-19.2Ex -19.24(BP est) -121.12(MP est) ----(BP exp) ----(MP exp) C=C=C=O -121.1PredN
O=CC#C9754.048C3H2OpropiolaldehydeN64O=CC#CInChI=1S/C3H2O/c1-2-3-4/h1,3HInChIKey=IJNJLGFTSIAHEA-UHFFFAOYSA-N57.5Ex 68.67(BP est) -67.09(MP est) 60.00(BP exp) ----(MP exp) O=CC#C -67.1PredY(Wishart et al. 2013)
CC1=CC19854.092C4H61-methylcycloprop-1-eneN104CC1=CC1InChI=1S/C4H6/c1-4-2-3-4/h2H,3H2,1H3InChIKey=SHDPRTQPPWIEJG-UHFFFAOYSA-N33.1Ex 33.05(BP est) -98.61(MP est) ----(BP exp) ----(MP exp) CC1=CC1 -98.6PredN
CC1C=C19954.092C4H63-methylcycloprop-1-eneN104CC1C=C1InChI=1S/C4H6/c1-4-2-3-4/h2-4H,1H3InChIKey=FAPGNCCCFGCZKP-UHFFFAOYSA-N-4.0Ex 27.64(BP est) -108.57(MP est) ----(BP exp) ----(MP exp) CC1C=C1 -108.6PredN
C1C2CC1210054.092C4H6bicyclo[1.1.0]butaneN104C1C2CC12InChI=1S/C4H6/c1-3-2-4(1)3/h3-4H,1-2H2InChIKey=LASLVGACQUUOEB-UHFFFAOYSA-N23.8Ex 23.78(BP est) -97.59(MP est) ----(BP exp) ----(MP exp) C1C2CC12 -97.6PredN
CCC#C10154.092C4H6but-1-yneN104CCC#CInChI=1S/C4H6/c1-3-4-2/h1H,4H2,2H3InChIKey=KDKYADYSIPSCCQ-UHFFFAOYSA-N8.5Ex 28.96(BP est) -94.05(MP est) 8.00(BP exp) -125.70(MP exp) CCC#C -125.7ExptY(Gu et al. 2013)
CC#CC10254.092C4H6but-2-yneN104CC#CCInChI=1S/C4H6/c1-3-4-2/h1-2H3InChIKey=XNMQEEKYCVKGBD-UHFFFAOYSA-N27.0Ex 38.81(BP est) -61.61(MP est) 26.90(BP exp) -32.30(MP exp) CC#CC -32.3ExptY(Tirillini et al. 2000)
C=C=CC10354.092C4H6buta-1,2-dieneN104C=C=CCInChI=1S/C4H6/c1-3-4-2/h4H,1H2,2H3InChIKey=QNRMTGGDHLBXQZ-UHFFFAOYSA-N10.6Ex 19.71(BP est) -117.86(MP est) 10.90(BP exp) -136.20(MP exp) C=C=CC -136.2ExptY(de Lacy Costello et al. 2014)
C=CC=C10454.092C4H6buta-1,3-dieneN104C=CC=CInChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2InChIKey=KAKZBPTYRLMSJV-UHFFFAOYSA-N-4.2Ex 15.55(BP est) -123.21(MP est) -4.40(BP exp) -108.90(MP exp) C=CC=C -108.9ExptY(de Lacy Costello et al. 2014)
C1CC=C110554.092C4H6cyclobuteneN104C1CC=C1InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2InChIKey=CFBGXYDUODCMNS-UHFFFAOYSA-N2.4Ex 37.73(BP est) -105.27(MP est) 2.00(BP exp) ----(MP exp) C1CC=C1 -105.3PredN
C=C1CC110654.092C4H6methylenecyclopropaneN104C=C1CC1InChI=1S/C4H6/c1-4-2-3-4/h1-3H2InChIKey=XSGHLZBESSREDT-UHFFFAOYSA-N9.4Ex 25.23(BP est) -100.70(MP est) ----(BP exp) ----(MP exp) C=C1CC1 -100.7PredN
C(=O)C#N11055.036C2HNOformyl cyanideN54C(=O)C#NInChI=1S/C2HNO/c3-1-2-4/h2HInChIKey=TUHMQDODLHWPCC-UHFFFAOYSA-N132.5Ex 132.48(BP est) -45.09(MP est) ----(BP exp) ----(MP exp) C(=O)C#N -45.1PredN
CC1=CN111155.08C3H5N2-methyl-1H-azirineN94CC1=CN1InChI=1S/C3H5N/c1-3-2-4-3/h2,4H,1H3InChIKey=ALBYXDMZZWDZBE-UHFFFAOYSA-N74.5Ex 74.49(BP est) -39.63(MP est) ----(BP exp) ----(MP exp) CC1=CN1 -39.6PredN
C=C1CN111255.08C3H5N2-methyleneaziridineN94C=C1CN1InChI=1S/C3H5N/c1-3-2-4-3/h4H,1-2H2InChIKey=VPOGPNWJJGESPL-UHFFFAOYSA-N67.1Ex 67.10(BP est) -41.59(MP est) ----(BP exp) ----(MP exp) C=C1CN1 -41.6PredN
C1=CC1N11355.08C3H5Ncycloprop-2-en-1-amineN94C1=CC1NInChI=1S/C3H5N/c4-3-1-2-3/h1-3H,4H2InChIKey=CMHYJNFHPVASSE-UHFFFAOYSA-N70.4Ex 70.35(BP est) -60.11(MP est) ----(BP exp) ----(MP exp) C1=CC1N -60.1PredN
CC[N+]#[C-]11455.08C3H5NisocyanoethaneN94CCN#CInChI=1S/C3H5N/c1-3-4-2/h3H2,1H3InChIKey=BPCWCZCOOFUXGQ-UHFFFAOYSA-N78.5Ex -33.34(BP est) -138.81(MP est) ----(BP exp) ----(MP exp) CCN#C -138.8PredN
CN=C=C11555.08C3H5NN-methylethenimineN94CN=C=CInChI=1S/C3H5N/c1-3-4-2/h1H2,2H3InChIKey=NHPIGLPRLKEFTQ-UHFFFAOYSA-N23.4Ex 23.44(BP est) -121.14(MP est) ----(BP exp) ----(MP exp) CN=C=C -121.1PredN
N(C=C)=C11655.08C3H5NN-vinylmethanimineN94N(C=C)=CInChI=1S/C3H5N/c1-3-4-2/h3H,1-2H2InChIKey=TUVFMMNANXKTRP-UHFFFAOYSA-N19.3Ex 19.30(BP est) -126.48(MP est) ----(BP exp) ----(MP exp) N(C=C)=C -126.5PredY(de Lacy Costello et al. 2014)
NCC#C11855.08C3H5Nprop-2-yn-1-amineN94NCC#CInChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2InChIKey=JKANAVGODYYCQF-UHFFFAOYSA-N83.0Ex 71.60(BP est) -45.61(MP est) 83.00(BP exp) ----(MP exp) NCC#C -45.6PredN
CCC#N11955.08C3H5NpropiononitrileN94CCC#NInChI=1S/C3H5N/c1-2-3-4/h2H2,1H3InChIKey=FVSKHRXBFJPNKK-UHFFFAOYSA-N97.2Ex 96.46(BP est) -70.97(MP est) 97.10(BP exp) -92.80(MP exp) CCC#N -92.8ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
C(=C=O)=O12156.02C2O2ethene-1,2-dioneN44C(=C=O)=OInChI=1S/C2O2/c3-1-2-4InChIKey=FONOSWYYBCBQGN-UHFFFAOYSA-N-51.1Ex -51.11(BP est) -127.22(MP est) ----(BP exp) ----(MP exp) C(=C=O)=O -127.2PredN
[N-]=[N+]=C=O12256.024CN2OdiazomethanoneN44[N-]=[N+]=C=OInChI=1S/CN2O/c2-3-1-4InChIKey=XXTZHYXQVWRADW-UHFFFAOYSA-N306.9Ex 306.85(BP est) 108.25(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=C=O 108.3PredN
N#CN=O12356.024CN2Onitrosyl cyanideN44N#CN=OInChI=1S/CN2O/c2-1-3-4InChIKey=CAMRHYBKQTWSCM-UHFFFAOYSA-N81.0Ex 81.02(BP est) -31.06(MP est) ----(BP exp) ----(MP exp) N#CN=O -31.1PredY(Shirota et al. 1987)
C=C1CO112456.064C3H4O2-methyleneoxiraneN84C=C1CO1InChI=1S/C3H4O/c1-3-2-4-3/h1-2H2InChIKey=AAEZMHSWRQVQEK-UHFFFAOYSA-N32.4Ex 32.40(BP est) -90.95(MP est) ----(BP exp) ----(MP exp) C=C1CO1 -91PredN
CC1=CO112556.064C3H4O2-methyloxireneN84CC1=CO1InChI=1S/C3H4O/c1-3-2-4-3/h2H,1H3InChIKey=UAPZPQSCIKHHSX-UHFFFAOYSA-N40.2Ex 40.15(BP est) -88.89(MP est) ----(BP exp) ----(MP exp) CC1=CO1 -88.9PredN
O=CC=C12656.064C3H4OacrylaldehydeN84O=CC=CInChI=1S/C3H4O/c1-2-3-4/h2-3H,1H2InChIKey=HGINCPLSRVDWNT-UHFFFAOYSA-N52.4Ex 57.87(BP est) -94.61(MP est) 52.60(BP exp) -87.70(MP exp) O=CC=C -87.7ExptY(Irwin et al. 2012, DNP 2017)
C1CC1=O12756.064C3H4OcyclopropanoneN84C1CC1=OInChI=1S/C3H4O/c4-3-1-2-3/h1-2H2InChIKey=VBBRYJMZLIYUJQ-UHFFFAOYSA-N78.5Ex 78.54(BP est) -63.50(MP est) ----(BP exp) ----(MP exp) C1CC1=O -63.5PredN
O=C=CC12856.064C3H4Oprop-1-en-1-oneN84O=C=CCInChI=1S/C3H4O/c1-2-3-4/h2H,1H3InChIKey=UYLUJGRCKKSWHS-UHFFFAOYSA-N-23.0Ex -10.74(BP est) -123.55(MP est) ----(BP exp) ----(MP exp) O=C=CC -123.6PredN
OCC#C12956.064C3H4Oprop-2-yn-1-olN84OCC#CInChI=1S/C3H4O/c1-2-3-4/h1,4H,3H2InChIKey=TVDSBUOJIPERQY-UHFFFAOYSA-N113.4Ex 98.47(BP est) -48.98(MP est) 113.60(BP exp) -51.80(MP exp) OCC#C -51.8ExptN
N#CCN13056.068C2H4N22-aminoacetonitrileN84N#CCNInChI=1S/C2H4N2/c3-1-2-4/h1,3H2InChIKey=DFNYGALUNNFWKJ-UHFFFAOYSA-N151.0Ex 135.12(BP est) -23.69(MP est) ----(BP exp) 101.00(MP exp) N#CCN 101ExptN
[N-]=[N+]=CC13156.068C2H4N2diazoethaneN84[N-]=[N+]=CCInChI=1S/C2H4N2/c1-2-4-3/h2H,1H3InChIKey=WLXALCKAKGDNAT-UHFFFAOYSA-N325.3Ex 325.27(BP est) 113.39(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=CC 113.4PredN
CNC#N13256.068C2H4N2N-methylcyanamideN84CNC#NInChI=1S/C2H4N2/c1-4-2-3/h4H,1H3InChIKey=MCLITRXWHZUNCQ-UHFFFAOYSA-N117.1Ex 117.12(BP est) -44.24(MP est) ----(BP exp) ----(MP exp) CNC#N -44.2PredN
C=C(C)C13356.108C4H82-methylprop-1-eneN124C=C(C)CInChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3InChIKey=VQTUBCCKSQIDNK-UHFFFAOYSA-N-7.2Ex 10.18(BP est) -130.88(MP est) -6.90(BP exp) -140.40(MP exp) C=C(C)C -140.4ExptY(de Lacy Costello et al. 2014)
CCC=C13456.108C4H8but-1-eneN124CCC=CInChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3InChIKey=VXNZUUAINFGPBY-UHFFFAOYSA-N-6.5Ex 17.57(BP est) -121.74(MP est) -1.30(BP exp) -145.00(MP exp) CCC=C -145ExptY(Ercolini et al. 2009, Gu et al. 2013, Lemfack et al. 2014)
CC=CC13556.108C4H8but-2-eneN124CC=CCInChI=1S/C4H8/c1-3-4-2/h3-4H,1-2H3InChIKey=IAQRGUVFOMOMEM-UHFFFAOYSA-N2.1Ex 27.82(BP est) -120.41(MP est) 0.80(BP exp) -105.50(MP exp) CC=CC -105.5ExptY(Papaleo et al. 2013)
C1CCC113656.108C4H8cyclobutaneN124C1CCC1InChI=1S/C4H8/c1-2-4-3-1/h1-4H2InChIKey=PMPVIKIVABFJJI-UHFFFAOYSA-N12.6Ex 34.27(BP est) -106.66(MP est) 12.60(BP exp) -90.60(MP exp) C1CCC1 -90.6ExptY(de Lacy Costello et al. 2014)
CC1CC113756.108C4H8methylcyclopropaneN124CC1CC1InChI=1S/C4H8/c1-4-2-3-4/h4H,2-3H2,1H3InChIKey=VNXBKJFUJUWOCW-UHFFFAOYSA-N0.7Ex 24.14(BP est) -109.97(MP est) 0.70(BP exp) -177.30(MP exp) CC1CC1 -177.3ExptN
B(N)(C)C13856.903C2H8BNdimethylboranamineN124B(N)(C)CInChI=1S/C2H8BN/c1-3(2)4/h4H2,1-2H3InChIKey=NHYSHMZGBQMTLC-UHFFFAOYSA-N35.6Ex 35.55(BP est) -90.94(MP est) ----(BP exp) ----(MP exp) B(N)(C)C -90.9PredN
N#CCO14057.052C2H3NO2-hydroxyacetonitrileN74N#CCOInChI=1S/C2H3NO/c3-1-2-4/h4H,2H2InChIKey=LTYRAPJYLUPLCI-UHFFFAOYSA-N188.5Ex 159.36(BP est) -27.83(MP est) 183.00(BP exp) ----(MP exp) N#CCO -27.8PredN
C1C(=O)N114157.052C2H3NOaziridin-2-oneN74C1C(=O)N1InChI=1S/C2H3NO/c4-2-1-3-2/h1H2,(H,3,4)InChIKey=SNPIMBDCLUUDST-UHFFFAOYSA-N194.5Ex 194.54(BP est) 24.22(MP est) ----(BP exp) ----(MP exp) C1C(=O)N1 24.2PredN
N#COC14257.052C2H3NOcyanatomethaneN74N#COCInChI=1S/C2H3NO/c1-4-2-3/h1H3InChIKey=JYQQWQJCEUMXQZ-UHFFFAOYSA-N97.4Ex 97.39(BP est) -65.22(MP est) ----(BP exp) ----(MP exp) N#COC -65.2PredN
CN=C=O14357.052C2H3NOisocyanatomethaneN74CN=C=OInChI=1S/C2H3NO/c1-3-2-4/h1H3InChIKey=HAMGRBXTJNITHG-UHFFFAOYSA-N38.7Ex 41.72(BP est) -77.60(MP est) 39.50(BP exp) -45.00(MP exp) CN=C=O -45ExptN
O=NC=C14557.052C2H3NOnitrosoetheneN74O=NC=CInChI=1S/C2H3NO/c1-2-3-4/h2H,1H2InChIKey=QBKNMYIBUNIILR-UHFFFAOYSA-N0.4Ex 0.37(BP est) -82.35(MP est) ----(BP exp) ----(MP exp) O=NC=C -82.4PredN
NOC#C14657.052C2H3NOO-ethynylhydroxylamineN74NOC#CInChI=1S/C2H3NO/c1-2-4-3/h1H,3H2InChIKey=HBWVBVVATOXSLQ-UHFFFAOYSA-N72.6Ex 72.57(BP est) -39.84(MP est) ----(BP exp) ----(MP exp) NOC#C -39.8PredN
[N-]=[N+]=NC14757.056CH3N3azidomethaneN74[N-]=[N+]=NCInChI=1S/CH3N3/c1-3-4-2/h1H3InChIKey=PBTHJVDBCFJQGG-UHFFFAOYSA-N327.1Ex 327.07(BP est) 112.48(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NC 112.5PredN
N1(C)CC114857.096C3H7N1-methylaziridineN114N1(C)CC1InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3InChIKey=XLJQPXVBQNJNLW-UHFFFAOYSA-N27.5Ex 36.30(BP est) -73.86(MP est) 27.50(BP exp) ----(MP exp) N1(C)CC1 -73.9PredY(Ismail et al. 2009)
CC1CN114957.096C3H7N2-methylaziridineN114CC1CN1InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3InChIKey=OZDGMOYKSFPLSE-UHFFFAOYSA-N65.1Ex 66.07(BP est) -50.85(MP est) 67.00(BP exp) -65.00(MP exp) CC1CN1 -65ExptN
C1CCN115057.096C3H7NazetidineN114C1CCN1InChI=1S/C3H7N/c1-2-4-3-1/h4H,1-3H2InChIKey=HONIICLYMWZJFZ-UHFFFAOYSA-N61.5Ex 75.64(BP est) -47.70(MP est) 63.00(BP exp) ----(MP exp) C1CCN1 -47.7PredN
NC1CC115157.096C3H7NcyclopropanamineN114NC1CC1InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2InChIKey=HTJDQJBWANPRPF-UHFFFAOYSA-N49.8Ex 67.05(BP est) -61.45(MP est) 50.50(BP exp) -35.40(MP exp) NC1CC1 -35.4ExptN
N(=C)CC15257.096C3H7NN-ethylmethanimineN114N(=C)CCInChI=1S/C3H7N/c1-3-4-2/h2-3H2,1H3InChIKey=FKOYAFITBICFAO-UHFFFAOYSA-N21.3Ex 21.31(BP est) -125.02(MP est) ----(BP exp) ----(MP exp) N(=C)CC -125PredN
C=CNC15357.096C3H7NN-methylethenamineN114C=CNCInChI=1S/C3H7N/c1-3-4-2/h3-4H,1H2,2H3InChIKey=HGUZQMQXAHVIQC-UHFFFAOYSA-N40.7Ex 40.66(BP est) -94.31(MP est) ----(BP exp) ----(MP exp) C=CNC -94.3PredN
C\C=C\N15457.096C3H7Nprop-1-en-1-amineN114C\C=C\NInChI=1S/C3H7N/c1-2-3-4/h2-3H,4H2,1H3InChIKey=AMLFJZRZIOZGPW-UHFFFAOYSA-N70.5Ex 70.52(BP est) -71.95(MP est) ----(BP exp) ----(MP exp) C\C=C\N -72PredN
C=C(N)C15557.096C3H7Nprop-1-en-2-amineN114C=C(N)CInChI=1S/C3H7N/c1-3(2)4/h1,4H2,2H3InChIKey=QHLGGLJSGHUBAT-UHFFFAOYSA-N53.9Ex 53.86(BP est) -82.13(MP est) ----(BP exp) ----(MP exp) C=C(N)C -82.1PredN
NCC=C15657.096C3H7Nprop-2-en-1-amineN114NCC=CInChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2InChIKey=VVJKKWFAADXIJK-UHFFFAOYSA-N53.4Ex 60.84(BP est) -73.11(MP est) 53.30(BP exp) -88.20(MP exp) NCC=C -88.2ExptN
OB(C)C16057.887C2H7BOhydroxydimethylboraneN114OB(C)CInChI=1S/C2H7BO/c1-3(2)4/h4H,1-2H3InChIKey=HWEKVSRZLQDNFL-UHFFFAOYSA-N82.2Ex 82.21(BP est) -88.54(MP est) ----(BP exp) ----(MP exp) OB(C)C -88.5PredN
O=CC=O16258.036C2H2O2oxalaldehydeN64O=CC=OInChI=1S/C2H2O2/c3-1-2-4/h1-2HInChIKey=LEQAOMBKQFMDFZ-UHFFFAOYSA-N50.5Ex 97.85(BP est) -66.69(MP est) 50.40(BP exp) 15.00(MP exp) O=CC=O 15ExptY(Fox and Wallace. 1997, Irwin et al. 2012)
N#CNO16358.04CH2N2ON-hydroxycyanamideN64N#CNOInChI=1S/CH2N2O/c2-1-3-4/h3-4HInChIKey=ROPLCSFPUPWHGJ-UHFFFAOYSA-N193.0Ex 192.99(BP est) 2.68(MP est) ----(BP exp) ----(MP exp) N#CNO 2.7PredY(Shirota et al. 1987, Nagasawa et al. 1993, Fukuto et al. 1994, Shirota et al. 1996, Duque et al. 2001)
FC1=CC116458.0554C3H3F1-fluorocycloprop-1-eneN74FC1=CC1InChI=1S/C3H3F/c4-3-1-2-3/h1H,2H2InChIKey=BKGFFXQUCIPKJK-UHFFFAOYSA-N8.8Ex 8.84(BP est) -111.02(MP est) ----(BP exp) ----(MP exp) FC1=CC1 -111PredN
C(C#CF)16558.0554C3H3F1-fluoroprop-1-yneN74C(C#CF)InChI=1S/C3H3F/c1-2-3-4/h1H3InChIKey=JZYKNIBCQRIYQP-UHFFFAOYSA-N14.8Ex 14.78(BP est) -73.97(MP est) ----(BP exp) ----(MP exp) C(C#CF) -74PredN
FC1C=C116658.0554C3H3F3-fluorocycloprop-1-eneN74FC1C=C1InChI=1S/C3H3F/c4-3-1-2-3/h1-3HInChIKey=QUZXGTYMEGIRGW-UHFFFAOYSA-N3.3Ex 3.27(BP est) -121.03(MP est) ----(BP exp) ----(MP exp) FC1C=C1 -121PredN
C(F)(C#C)16758.0554C3H3F3-fluoroprop-1-yneN74C(F)(C#C)InChI=1S/C3H3F/c1-2-3-4/h1H,3H2InChIKey=QEMMTKPYWRKLME-UHFFFAOYSA-N15.5Ex 4.62(BP est) -106.50(MP est) ----(BP exp) ----(MP exp) C(F)(C#C) -106.5PredN
CC1CO116858.08C3H6O2-methyloxiraneN104CC1CO1InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3InChIKey=GOOHAUXETOMSMM-UHFFFAOYSA-N34.3Ex 31.32(BP est) -100.23(MP est) 35.00(BP exp) -111.90(MP exp) CC1CO1 -111.9ExptN
OC1CC116958.08C3H6OcyclopropanolN104OC1CC1InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2InChIKey=YOXHCYXIAVIFCZ-UHFFFAOYSA-N101.5Ex 86.21(BP est) -67.08(MP est) ----(BP exp) ----(MP exp) OC1CC1 -67.1PredN
COC=C17058.08C3H6OmethoxyetheneN104COC=CInChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3InChIKey=XJRBAMWJDBPFIM-UHFFFAOYSA-N5.5Ex 18.61(BP est) -115.96(MP est) 5.50(BP exp) -122.00(MP exp) COC=C -122ExptN
C1CCO117158.08C3H6OoxetaneN104C1CCO1InChI=1S/C3H6O/c1-2-4-3-1/h1-3H2InChIKey=AHHWIHXENZJRFG-UHFFFAOYSA-N48.1Ex 41.36(BP est) -96.94(MP est) 47.60(BP exp) -97.00(MP exp) C1CCO1 -97ExptN
OCC=C17258.08C3H6Oprop-2-en-1-olN104OCC=CInChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2InChIKey=XXROGKLTLUQVRX-UHFFFAOYSA-N96.7Ex 88.13(BP est) -76.37(MP est) 97.00(BP exp) -129.00(MP exp) OCC=C -129ExptY(DNP 2017)
CC(C)=O17358.08C3H6Opropan-2-oneN104CC(C)=OInChI=1S/C3H6O/c1-3(2)4/h1-2H3InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N56.1Ex 44.80(BP est) -93.58(MP est) 55.50(BP exp) -98.30(MP exp) CC(C)=O -98.3ExptY(Diaz et al. 2002, Irwin et al. 2012, Papaleo et al. 2013, DNP 2017)
O=CCC17458.08C3H6OpropionaldehydeN104O=CCCInChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3InChIKey=NBBJYMSMWIIQGU-UHFFFAOYSA-N48.2Ex 59.78(BP est) -93.17(MP est) 48.00(BP exp) -80.00(MP exp) O=CCC -80ExptY(Wheatley et al. 1997, Irwin et al. 2012, DNP 2017)
C/N=N/C17558.084C2H6N21,2-dimethyldiazeneN104C/N=N/CInChI=1S/C2H6N2/c1-3-4-2/h1-2H3InChIKey=JCCAVOLDXDEODY-UHFFFAOYSA-N1.7Ex 13.11(BP est) -133.43(MP est) 1.50(BP exp) -78.00(MP exp) C/N=N/C -78ExptY(de Lacy Costello et al. 2014)
N(=C)NC17658.084C2H6N21-methyl-2-methylenehydrazineN104N(=C)NCInChI=1S/C2H6N2/c1-3-4-2/h4H,1H2,2H3InChIKey=YAAYTUSOEFHQIF-UHFFFAOYSA-N44.3Ex 44.29(BP est) -97.61(MP est) ----(BP exp) ----(MP exp) N(=C)NC -97.6PredN
CC(=N)N17758.084C2H6N2acetimidamideN104CC(=N)NInChI=1S/C2H6N2/c1-2(3)4/h1H3,(H3,3,4)InChIKey=OQLZINXFSUDMHM-UHFFFAOYSA-N111.8Ex 111.81(BP est) -28.60(MP est) ----(BP exp) ----(MP exp) CC(=N)N -28.6PredN
NN1CC117858.084C2H6N2aziridin-1-amineN104NN1CC1InChI=1S/C2H6N2/c3-4-1-2-4/h1-3H2InChIKey=RLFFLEZFARXFQF-UHFFFAOYSA-N78.5Ex 78.53(BP est) -25.54(MP est) ----(BP exp) ----(MP exp) NN1CC1 -25.5PredN
NC(N)=C17958.084C2H6N2ethene-1,1-diamineN104NC(N)=CInChI=1S/C2H6N2/c1-2(3)4/h1,3-4H2InChIKey=BSGRLBPZSRZQOR-UHFFFAOYSA-N95.1Ex 95.08(BP est) -34.10(MP est) ----(BP exp) ----(MP exp) NC(N)=C -34.1PredN
N\C=C/N18058.084C2H6N2ethene-1,2-diamineN104N\C=C/NInChI=1S/C2H6N2/c3-1-2-4/h1-2H,3-4H2InChIKey=MLCJWRIUYXIWNU-UHFFFAOYSA-N110.8Ex 110.76(BP est) -24.21(MP est) ----(BP exp) ----(MP exp) N\C=C/N -24.2PredN
CC=NN18158.084C2H6N2ethylidenehydrazineN104CC=NNInChI=1S/C2H6N2/c1-2-4-3/h2H,3H2,1H3InChIKey=SFYLHIMXJQGKGZ-UHFFFAOYSA-N101.0Ex 74.00(BP est) -75.30(MP est) ----(BP exp) ----(MP exp) CC=NN -75.3PredN
C=CNN18258.084C2H6N2vinylhydrazineN104C=CNNInChI=1S/C2H6N2/c1-2-4-3/h2,4H,1,3H2InChIKey=JJVJPJWQXDQCEI-UHFFFAOYSA-N82.6Ex 82.64(BP est) -46.06(MP est) ----(BP exp) ----(MP exp) C=CNN -46.1PredN
C1=CS118358.098C2H2SthiireneN53C1=CS1InChI=1S/C2H2S/c1-2-3-1/h1-2HInChIKey=JTQAPFZZCXWQNQ-UHFFFAOYSA-N55.0Ex 55.01(BP est) -71.01(MP est) ----(BP exp) ----(MP exp) C1=CS1 -71PredN
CCCC18458.124C4H10butaneN144CCCCInChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3InChIKey=IJDNQMDRQITEOD-UHFFFAOYSA-N-0.7Ex 19.58(BP est) -120.28(MP est) -0.50(BP exp) -138.20(MP exp) CCCC -138.2ExptY(Fuentes et al. 1996, Irwin et al. 2012)
CC(C)C18558.124C4H10isobutaneN144CC(C)CInChI=1S/C4H10/c1-4(2)3/h4H,1-3H3InChIKey=NNPPMTNAJDCUHE-UHFFFAOYSA-N-11.5Ex 3.21(BP est) -132.55(MP est) -11.70(BP exp) -138.30(MP exp) CC(C)C -138.3ExptY(Fuentes et al. 1996, Gu et al. 2013)
FC1=CN118759.0434C2H2FN2-fluoro-1H-azirineN64FC1=CN1InChI=1S/C2H2FN/c3-2-1-4-2/h1,4HInChIKey=MMNOXUVQNZOIRI-UHFFFAOYSA-N51.6Ex 51.60(BP est) -51.66(MP est) ----(BP exp) ----(MP exp) FC1=CN1 -51.7PredN
N1CCO118859.068C2H5NO1,2-oxazetidineN94N1CCO1InChI=1S/C2H5NO/c1-2-4-3-1/h3H,1-2H2InChIKey=XHWNEBDUPVMPKI-UHFFFAOYSA-N82.3Ex 82.34(BP est) -38.09(MP est) ----(BP exp) ----(MP exp) N1CCO1 -38.1PredN
C/C=N/O18959.068C2H5NOacetaldehyde oximeN94C/C=N/OInChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3InChIKey=FZENGILVLUJGJX-UHFFFAOYSA-N117.4Ex 118.18(BP est) -73.62(MP est) 115.00(BP exp) 45.00(MP exp) C/C=N/O 45ExptY(Gu et al. 2013)
CC(N)=O19059.068C2H5NOacetamideN94CC(N)=OInChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)InChIKey=DLFVBJFMPXGRIB-UHFFFAOYSA-N221.5Ex 177.41(BP est) 11.01(MP est) 222.00(BP exp) 81.00(MP exp) CC(N)=O 81ExptY(Irwin et al. 2012, DNP 2017)
ON1CC119159.068C2H5NOaziridin-1-olN94ON1CC1InChI=1S/C2H5NO/c4-3-1-2-3/h4H,1-2H2InChIKey=DTEAMMSJXLXUOQ-UHFFFAOYSA-N187.4Ex 187.37(BP est) 0.02(MP est) ----(BP exp) ----(MP exp) ON1CC1 0PredN
O=NCC19259.068C2H5NOnitrosoethaneN94O=NCCInChI=1S/C2H5NO/c1-2-3-4/h2H2,1H3InChIKey=IFYCAQIXDKZDTB-UHFFFAOYSA-N2.4Ex 2.43(BP est) -80.87(MP est) ----(BP exp) ----(MP exp) O=NCC -80.9PredN
O=CNC19359.068C2H5NON-methylformamideN94O=CNCInChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)InChIKey=ATHHXGZTWNVVOU-UHFFFAOYSA-N199.2Ex 172.82(BP est) 28.24(MP est) 199.50(BP exp) -3.80(MP exp) O=CNC -3.8ExptY(DNP 2017)
C=CNO19459.068C2H5NON-vinylhydroxylamineN94C=CNOInChI=1S/C2H5NO/c1-2-3-4/h2-4H,1H2InChIKey=DOQRFSPGLXDRPF-UHFFFAOYSA-N126.2Ex 126.24(BP est) -44.55(MP est) ----(BP exp) ----(MP exp) C=CNO -44.6PredN
NOC=C19559.068C2H5NOO-vinylhydroxylamineN94NOC=CInChI=1S/C2H5NO/c1-2-4-3/h2H,1,3H2InChIKey=DDBNQTLBNWVNAS-UHFFFAOYSA-N61.8Ex 61.83(BP est) -67.34(MP est) ----(BP exp) ----(MP exp) NOC=C -67.3PredN
N(=C/N)\N19659.072CH5N3formohydrazonamideN94N(=C/N)\NInChI=1S/CH5N3/c2-1-4-3/h1H,3H2,(H2,2,4)InChIKey=RFZKDTRCZMWOEI-UHFFFAOYSA-N114.0Ex 114.03(BP est) -27.61(MP est) ----(BP exp) ----(MP exp) N(=C/N)\N -27.6PredN
NC(N)=N19759.072CH5N3guanidineN94NC(N)=NInChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)InChIKey=ZRALSGWEFCBTJO-UHFFFAOYSA-N149.5Ex 149.52(BP est) 18.41(MP est) ----(BP exp) 50.00(MP exp) NC(N)=N 50ExptY(Irwin et al. 2012, DNP 2017)
SC#N19859.086CHNSthiocyanic acidN43SC#NInChI=1S/CHNS/c2-1-3/h3HInChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-N-87.8Ex 130.91(BP est) -53.95(MP est) ----(BP exp) ----(MP exp) SC#N -54PredY(DNP 2017)
CNCC19959.112C3H9NN-methylethanamineN134CNCCInChI=1S/C3H9N/c1-3-4-2/h4H,3H2,1-2H3InChIKey=LIWAQLJGPBVORC-UHFFFAOYSA-N35.5Ex 42.61(BP est) -92.86(MP est) 36.50(BP exp) ----(MP exp) CNCC -92.9PredY(Herrmann and Jüttner 1977)
NCCC20059.112C3H9Npropan-1-amineN134NCCCInChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3InChIKey=WGYKZJWCGVVSQN-UHFFFAOYSA-N46.3Ex 62.74(BP est) -71.68(MP est) 48.50(BP exp) -83.00(MP exp) NCCC -83ExptY(Herrmann and Jüttner 1977, Wishart et al. 2013)
NC(C)C20159.112C3H9Npropan-2-amineN134NC(C)CInChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3InChIKey=JJWLVOIRVHMVIS-UHFFFAOYSA-N31.8Ex 47.27(BP est) -83.69(MP est) 31.70(BP exp) -95.10(MP exp) NC(C)C -95.1ExptY(Fox and Wallace. 1997)
CN(C)C20259.112C3H9NtrimethylamineN134CN(C)CInChI=1S/C3H9N/c1-4(2)3/h1-3H3InChIKey=GETQZCLCWQTVFV-UHFFFAOYSA-N2.2Ex 18.82(BP est) -109.90(MP est) 2.87(BP exp) -117.08(MP exp) CN(C)C -117.1ExptY(Herrmann and Jüttner 1977, Fox and Wallace. 1997, Schöller et al. 1997, Irwin et al. 2012, DNP 2017)
B(C)(O)O20559.859CH5BO2methylboronic acidN94B(C)(O)OInChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3InChIKey=KTMKRRPZPWUYKK-UHFFFAOYSA-N204.4Ex 204.38(BP est) 23.16(MP est) ----(BP exp) ----(MP exp) B(C)(O)O 23.2PredN
FB(C)C20659.8784C2H6BFfluorodimethylboraneN104FB(C)CInChI=1S/C2H6BF/c1-3(2)4/h1-2H3InChIKey=JHLZWFXOKRZQOT-UHFFFAOYSA-N-34.7Ex -34.66(BP est) -152.77(MP est) ----(BP exp) ----(MP exp) FB(C)C -152.8PredN
FC1=CO120760.0274C2HFO2-fluorooxireneN54FC1=CO1InChI=1S/C2HFO/c3-2-1-4-2/h1HInChIKey=YTABAHMOTPRNHB-UHFFFAOYSA-N16.2Ex 16.16(BP est) -101.23(MP est) ----(BP exp) ----(MP exp) FC1=CO1 -101.2PredN
P1CC120860.0358C2H5PphosphiraneN83P1CC1InChI=1S/C2H5P/c1-2-3-1/h3H,1-2H2InChIKey=UTMQOVWWMLZKRY-UHFFFAOYSA-N20.7Ex 20.71(BP est) -110.86(MP est) ----(BP exp) ----(MP exp) P1CC1 -110.9PredN
PC=C20960.0358C2H5PvinylphosphaneN83PC=CInChI=1S/C2H5P/c1-2-3/h2H,1,3H2InChIKey=SCESWTHQFQXGMV-UHFFFAOYSA-N31.8Ex 31.80(BP est) -113.17(MP est) ----(BP exp) ----(MP exp) PC=C -113.2PredN
O1COC121060.052C2H4O21,3-dioxetaneN84O1COC1InChI=1S/C2H4O2/c1-3-2-4-1/h1-2H2InChIKey=GFAJOMHUNNCCJQ-UHFFFAOYSA-N48.4Ex 48.39(BP est) -87.23(MP est) ----(BP exp) ----(MP exp) O1COC1 -87.2PredN
O=CCO21160.052C2H4O22-hydroxyacetaldehydeN84O=CCOInChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2InChIKey=WGCNASOHLSPBMP-UHFFFAOYSA-N150.0Ex 126.35(BP est) -48.96(MP est) ----(BP exp) 97.00(MP exp) O=CCO 97ExptY(DNP 2017)
OC(C)=O21260.052C2H4O2acetic acidN84OC(C)=OInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-N117.9Ex 122.30(BP est) -21.26(MP est) 117.90(BP exp) 16.60(MP exp) OC(C)=O 16.6ExptY(Ciolfe et al. 2012, ExPaSy 2015)
O=COC21360.052C2H4O2methyl formateN84O=COCInChI=1S/C2H4O2/c1-4-2-3/h2H,1H3InChIKey=TZIHFWKZFHZASV-UHFFFAOYSA-N31.4Ex 28.88(BP est) -99.48(MP est) 31.70(BP exp) -99.00(MP exp) O=COC -99ExptY(The Good Scents Company , Gu et al. 2013)
C1(NN1)O21460.056CH4N2Odiaziridin-3-olN84C1(NN1)OInChI=1S/CH4N2O/c4-1-2-3-1/h1-4HInChIKey=VKOQFAZFHDCOLA-UHFFFAOYSA-N160.7Ex 160.66(BP est) 14.28(MP est) ----(BP exp) ----(MP exp) C1(NN1)O 14.3PredN
NNC=O21560.056CH4N2OformohydrazideN84NNC=OInChI=1S/CH4N2O/c2-3-1-4/h1H,2H2,(H,3,4)InChIKey=XZBIXDPGRMLSTC-UHFFFAOYSA-N206.5Ex 206.45(BP est) 40.47(MP est) ----(BP exp) 55.00(MP exp) NNC=O 55ExptN
C(=N/O)\N21660.056CH4N2ON'-hydroxyformimidamideN84C(=N/O)\NInChI=1S/CH4N2O/c2-1-3-4/h1,4H,(H2,2,3)InChIKey=IONSZLINWCGRRI-UHFFFAOYSA-N155.5Ex 155.48(BP est) -26.73(MP est) ----(BP exp) 114.50(MP exp) C(=N/O)\N 114.5ExptN
NCN=O21760.056CH4N2OnitrosomethanamineN84NCN=OInChI=1S/CH4N2O/c2-1-3-4/h1-2H2InChIKey=KNELKVOQONUEJI-UHFFFAOYSA-N46.5Ex 46.53(BP est) -32.00(MP est) ----(BP exp) ----(MP exp) NCN=O -32PredN
O=NNC21860.056CH4N2ON-methylnitrous amideN84O=NNCInChI=1S/CH4N2O/c1-2-3-4/h1H3,(H,2,4)InChIKey=CIJBKNZDKBKMFU-UHFFFAOYSA-N26.0Ex 25.96(BP est) -53.30(MP est) ----(BP exp) ----(MP exp) O=NNC -53.3PredN
NC(N)=O21960.056CH4N2OureaN84NC(N)=OInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)InChIKey=XSQUKJJJFZCRTK-UHFFFAOYSA-N191.8Ex 158.06(BP est) 28.99(MP est) ----(BP exp) 132.70(MP exp) NC(N)=O 132.7ExptY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
O=C=S22060.07COScarbon oxide sulfideN33O=C=SInChI=1S/COS/c2-1-3InChIKey=JJWKPURADFRFRB-UHFFFAOYSA-N-50.5Ex -3.92(BP est) -102.71(MP est) -50.00(BP exp) -138.80(MP exp) O=C=S -138.8ExptY(Adams et al. 1979, DNP 2017)
C(C=CF)22160.0714C3H5F1-fluoroprop-1-eneN94C(C=CF)InChI=1S/C3H5F/c1-2-3-4/h2-3H,1H3InChIKey=VJGCZWVJDRIHNC-UHFFFAOYSA-N-9.8Ex 3.45(BP est) -132.86(MP est) ----(BP exp) ----(MP exp) C(C=CF) -132.9PredN
C(C(F)=C)22260.0714C3H5F2-fluoroprop-1-eneN94C(C(F)=C)InChI=1S/C3H5F/c1-3(2)4/h1H2,2H3InChIKey=NGOCAPPEAVAHQM-UHFFFAOYSA-N-24.0Ex -14.73(BP est) -143.49(MP est) -24.00(BP exp) ----(MP exp) C(C(F)=C) -143.5PredN
C(F)(C=C)22360.0714C3H5F3-fluoroprop-1-eneN94C(F)(C=C)InChI=1S/C3H5F/c1-2-3-4/h2H,1,3H2InChIKey=QCMKXHXKNIOBBC-UHFFFAOYSA-N-3.0Ex -7.11(BP est) -134.29(MP est) -3.00(BP exp) ----(MP exp) C(F)(C=C) -134.3PredN
C(C1)(C1F)22460.0714C3H5FfluorocyclopropaneN94C(C1)(C1F)InChI=1S/C3H5F/c4-3-1-2-3/h3H,1-2H2InChIKey=XAVRRVJJYIFROR-UHFFFAOYSA-N-0.3Ex -0.34(BP est) -122.46(MP est) ----(BP exp) ----(MP exp) C(C1)(C1F) -122.5PredN
COCC22560.096C3H8OmethoxyethaneN124COCCInChI=1S/C3H8O/c1-3-4-2/h3H2,1-2H3InChIKey=XOBKSJJDNFUZPF-UHFFFAOYSA-N8.2Ex 20.62(BP est) -114.49(MP est) 7.40(BP exp) -113.00(MP exp) COCC -113ExptN
OCCC22660.096C3H8Opropan-1-olN124OCCCInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3InChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N97.1Ex 89.96(BP est) -74.95(MP est) 97.20(BP exp) -126.10(MP exp) OCCC -126.1ExptY(Griffin et al. 2010, Irwin et al. 2012)
OC(C)C22760.096C3H8Opropan-2-olN124OC(C)CInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3InChIKey=KFZMGEQAYNKOFK-UHFFFAOYSA-N81.9Ex 66.97(BP est) -89.16(MP est) 82.30(BP exp) -89.50(MP exp) OC(C)C -89.5ExptY(Wheatley et al. 1997, Irwin et al. 2012, Papaleo et al. 2013, DNP 2017)
CN(N)C22860.1C2H8N21,1-dimethylhydrazineN124CN(N)CInChI=1S/C2H8N2/c1-4(2)3/h3H2,1-2H3InChIKey=RHUYHJGZWVXEHW-UHFFFAOYSA-N63.7Ex 62.03(BP est) -61.29(MP est) 63.90(BP exp) -58.00(MP exp) CN(N)C -58ExptN
CNNC22960.1C2H8N21,2-dimethylhydrazineN124CNNCInChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3InChIKey=DIIIISSCIXVANO-UHFFFAOYSA-N82.2Ex 64.96(BP est) -65.64(MP est) 81.00(BP exp) -9.00(MP exp) CNNC -9ExptN
NCCN23160.1C2H8N2ethane-1,2-diamineN124NCCNInChI=1S/C2H8N2/c3-1-2-4/h1-4H2InChIKey=PIICEJLVQHRZGT-UHFFFAOYSA-N117.0Ex 103.44(BP est) -23.80(MP est) 117.00(BP exp) 11.10(MP exp) NCCN 11.1ExptY(Gu et al. 2013)
NNCC23260.1C2H8N2ethylhydrazineN124NNCCInChI=1S/C2H8N2/c1-2-4-3/h4H,2-3H2,1H3InChIKey=WHRIKZCFRVTHJH-UHFFFAOYSA-N84.5Ex 84.48(BP est) -44.64(MP est) ----(BP exp) ----(MP exp) NNCC -44.6PredY(de Lacy Costello et al. 2014)
NCNC23360.1C2H8N2N-methylmethanediamineN124NCNCInChI=1S/C2H8N2/c1-4-2-3/h4H,2-3H2,1H3InChIKey=XOTDURGROKNGTI-UHFFFAOYSA-N84.5Ex 84.48(BP est) -44.64(MP est) ----(BP exp) ----(MP exp) NCNC -44.6PredN
CC=S23460.114C2H4SethanethialN73CC=SInChI=1S/C2H4S/c1-2-3/h2H,1H3InChIKey=QJFUMFCCMJJLIE-UHFFFAOYSA-N-29.0Ex -28.95(BP est) -138.80(MP est) ----(BP exp) ----(MP exp) CC=S -138.8PredY(Fox and Wallace. 1997)
C1CS123560.114C2H4SthiiraneN73C1CS1InChI=1S/C2H4S/c1-2-3-1/h1-2H2InChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N54.6Ex 51.63(BP est) -72.37(MP est) 55.00(BP exp) ----(MP exp) C1CS1 -72.4PredN
C#CCl23660.48C2HClchloroethyneN43C#CClInChI=1S/C2HCl/c1-2-3/h1HInChIKey=DIWKDXFZXXCDLF-UHFFFAOYSA-N-31.9Ex 15.55(BP est) -94.28(MP est) -30.00(BP exp) -126.00(MP exp) C#CCl -126ExptN
NC(O)=O23761.04CH3NO2carbamic acidN74NC(O)=OInChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)InChIKey=KXDHJXZQYSOELW-UHFFFAOYSA-N159.3Ex 159.34(BP est) 25.55(MP est) ----(BP exp) ----(MP exp) NC(O)=O 25.6PredY(Guo et al. 2013)
O=CNO23961.04CH3NO2N-hydroxyformamideN74O=CNOInChI=1S/CH3NO2/c3-1-2-4/h1,4H,(H,2,3)InChIKey=KDGKTJGPFXIBEB-UHFFFAOYSA-N240.8Ex 240.81(BP est) 49.91(MP est) ----(BP exp) ----(MP exp) O=CNO 49.9PredY(DNP 2017)
C[N+]([O-])=O24061.04CH3NO2nitromethaneN74C[N+]([O-])=OInChI=1S/CH3NO2/c1-2(3)4/h1H3InChIKey=LYGJENNIWJXYER-UHFFFAOYSA-N101.1Ex 66.47(BP est) -51.68(MP est) 101.10(BP exp) -28.50(MP exp) C[N+]([O-])=O -28.5ExptY(de Lacy Costello et al. 2014)
FC1CN124161.0594C2H4FN2-fluoroaziridineN84FC1CN1InChI=1S/C2H4FN/c3-2-1-4-2/h2,4H,1H2InChIKey=CQJIFVPKWFHCOM-UHFFFAOYSA-N42.9Ex 42.90(BP est) -62.96(MP est) ----(BP exp) ----(MP exp) FC1CN1 -63PredN
NCC(O)24361.084C2H7NO2-aminoethan-1-olN114NCC(O)InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2InChIKey=HZAXFHJVJLSVMW-UHFFFAOYSA-N170.3Ex 129.03(BP est) -27.55(MP est) 171.00(BP exp) 10.50(MP exp) NCC(O) 10.5ExptY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
NCOC24461.084C2H7NOmethoxymethanamineN114NCOCInChI=1S/C2H7NO/c1-4-2-3/h2-3H2,1H3InChIKey=KZRAAPTWXAMZHQ-UHFFFAOYSA-N63.7Ex 63.73(BP est) -65.91(MP est) ----(BP exp) ----(MP exp) NCOC -65.9PredN
CN(O)C24561.084C2H7NON,N-dimethylhydroxylamineN114CN(O)CInChI=1S/C2H7NO/c1-3(2)4/h4H,1-2H3InChIKey=VMESOKCXSYNAKD-UHFFFAOYSA-N179.8Ex 179.77(BP est) -15.05(MP est) ----(BP exp) 107.00(MP exp) CN(O)C 107ExptN
CNOC24661.084C2H7NON,O-dimethylhydroxylamineN114CNOCInChI=1S/C2H7NO/c1-3-4-2/h3H,1-2H3InChIKey=KRKPYFLIYNGWTE-UHFFFAOYSA-N43.6Ex 43.62(BP est) -87.08(MP est) ----(BP exp) ----(MP exp) CNOC -87.1PredN
CCNO24761.084C2H7NON-ethylhydroxylamineN114CCNOInChI=1S/C2H7NO/c1-2-3-4/h3-4H,2H2,1H3InChIKey=VDUIPQNXOQMTBF-UHFFFAOYSA-N128.0Ex 127.96(BP est) -43.16(MP est) ----(BP exp) ----(MP exp) CCNO -43.2PredN
NOCC24861.084C2H7NOO-ethylhydroxylamineN114NOCCInChI=1S/C2H7NO/c1-2-4-3/h2-3H2,1H3InChIKey=AQFWNELGMODZGC-UHFFFAOYSA-N63.7Ex 63.73(BP est) -65.91(MP est) ----(BP exp) ----(MP exp) NOCC -65.9PredN
N=CN24944.057CH4N2formimidamideN114NC(N)NInChI=1S/CH4N2/c2-1-3/h1H,(H3,2,3)InChIKey=PNKUSGQVOMIXLU-UHFFFAOYSA-N128.0Ex 128.00(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) NC(N)N 11.9PredN
S=CN25061.102CH3NSmethanethioamideN63S=CNInChI=1S/CH3NS/c2-1-3/h1H,(H2,2,3)InChIKey=CYEBJEDOHLIWNP-UHFFFAOYSA-N16.8Ex 16.83(BP est) -89.44(MP est) ----(BP exp) 26.50(MP exp) S=CN 26.5ExptN
O=PC25262.0078CH3OPmethyl(oxo)phosphaneN63O=PCInChI=1S/CH3OP/c1-3-2/h1H3InChIKey=XGCRFIXLYQQNSO-UHFFFAOYSA-N59.4Ex 59.39(BP est) -92.37(MP est) ----(BP exp) ----(MP exp) O=PC -92.4PredN
C(F)#C(F)25362.0188C2F21,2-difluoroethyneN44C(F)#C(F)InChI=1S/C2F2/c3-1-2-4InChIKey=BWTZYYGAOGUPFQ-UHFFFAOYSA-N-15.0Ex -9.98(BP est) -86.54(MP est) ----(BP exp) ----(MP exp) C(F)#C(F) -86.5PredN
C(=O)OO25562.024CH2O3methaneperoxoic acidN64C(=O)OOInChI=1S/CH2O3/c2-1-4-3/h1,3HInChIKey=SCKXCAADGDQQCS-UHFFFAOYSA-N82.8Ex 82.76(BP est) -46.20(MP est) ----(BP exp) ----(MP exp) C(=O)OO -46.2PredN
N[N+](=O)[O-]25762.028H2N2O2nitramideN64NN(=O)=OInChI=1S/H2N2O2/c1-2(3)4/h1H2InChIKey=SFDJOSRHYKHMOK-UHFFFAOYSA-N89.3Ex 524.17(BP est) 222.61(MP est) ----(BP exp) ----(MP exp) NN(=O)=O 222.6PredY(Mozen 1955)
C(=O)C(F)25862.0434C2H3FO2-fluoroacetaldehydeN74C(=O)C(F)InChI=1S/C2H3FO/c3-1-2-4/h2H,1H2InChIKey=YYDWYJJLVYDJLV-UHFFFAOYSA-N61.0Ex 36.41(BP est) -105.34(MP est) ----(BP exp) ----(MP exp) C(=O)C(F) -105.3PredY(O' Hagan et al. 2002)
FC1CO125962.0434C2H3FO2-fluorooxiraneN74FC1CO1InChI=1S/C2H3FO/c3-2-1-4-2/h2H,1H2InChIKey=NRSWGNXBEVDTNI-UHFFFAOYSA-N7.1Ex 7.06(BP est) -112.65(MP est) ----(BP exp) ----(MP exp) FC1CO1 -112.7PredN
CPC26062.0518C2H7PdimethylphosphaneN103CPCInChI=1S/C2H7P/c1-3-2/h3H,1-2H3InChIKey=YOTZYFSGUCFUKA-UHFFFAOYSA-N10.8Ex 10.76(BP est) -126.62(MP est) ----(BP exp) ----(MP exp) CPC -126.6PredN
CCP26162.0518C2H7PethylphosphaneN103CCPInChI=1S/C2H7P/c1-2-3/h2-3H2,1H3InChIKey=JLHMVTORNNQCRM-UHFFFAOYSA-N33.8Ex 33.78(BP est) -111.71(MP est) ----(BP exp) ----(MP exp) CCP -111.7PredN
O(OC)C26262.068C2H6O2(methylperoxy)methaneN104O(OC)CInChI=1S/C2H6O2/c1-3-4-2/h1-2H3InChIKey=SRXOCFMDUSFFAK-UHFFFAOYSA-N14.0Ex 21.66(BP est) -108.71(MP est) 14.00(BP exp) ----(MP exp) O(OC)C -108.7PredY(DNP 2017)
OCC(O)26362.068C2H6O2ethane-1,2-diolN104OCC(O)InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2InChIKey=LYCAIKOWRPUZTN-UHFFFAOYSA-N196.9Ex 153.53(BP est) -31.62(MP est) 197.30(BP exp) -13.00(MP exp) OCC(O) -13ExptY(Irwin et al. 2012, DNP 2017)
CCOO26462.068C2H6O2hydroperoxyethaneN104CCOOInChI=1S/C2H6O2/c1-2-4-3/h3H,2H2,1H3InChIKey=ILHIHKRJJMKBEE-UHFFFAOYSA-N95.0Ex 75.09(BP est) -61.04(MP est) 95.00(BP exp) -100.00(MP exp) CCOO -100ExptN
OCOC26562.068C2H6O2methoxymethanolN104OCOCInChI=1S/C2H6O2/c1-4-2-3/h3H,2H2,1H3InChIKey=VHWYCFISAQVCCP-UHFFFAOYSA-N90.9Ex 90.91(BP est) -69.20(MP est) ----(BP exp) ----(MP exp) OCOC -69.2PredN
ONCN26662.072CH6N2O(hydroxyamino)methanamineN104ONCNInChI=1S/CH6N2O/c2-1-3-4/h3-4H,1-2H2InChIKey=WTLWWXPLMBJSPF-UHFFFAOYSA-N164.6Ex 164.63(BP est) 3.54(MP est) ----(BP exp) ----(MP exp) ONCN 3.5PredN
C=S=O26862.086CH2OSmethylene-lambda4-sulfanoneN53C=S=OInChI=1S/CH2OS/c1-3-2/h1H2InChIKey=IWOKCMBOJXYDEE-UHFFFAOYSA-N102.0Ex 102.00(BP est) -54.54(MP est) ----(BP exp) ----(MP exp) C=S=O -54.5PredN
C(CCF)26962.0874C3H7F1-fluoropropaneN114C(CCF)InChI=1S/C3H7F/c1-2-3-4/h2-3H2,1H3InChIKey=JRHNUZCXXOTJCA-UHFFFAOYSA-N-3.0Ex -5.04(BP est) -132.80(MP est) 2.50(BP exp) -159.00(MP exp) C(CCF) -159ExptN
C(C(F)C)27062.0874C3H7F2-fluoropropaneN114C(C(F)C)InChI=1S/C3H7F/c1-3(2)4/h3H,1-2H3InChIKey=PRNZBCYBKGCOFI-UHFFFAOYSA-N-9.5Ex -21.90(BP est) -145.23(MP est) -10.00(BP exp) 133.40(MP exp) C(C(F)C) 133.4ExptN
CSC27162.13C2H6SdimethylsulfaneN93CSCInChI=1S/C2H6S/c1-3-2/h1-2H3InChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N37.0Ex 42.52(BP est) -107.65(MP est) 37.30(BP exp) -98.30(MP exp) CSC -98.3ExptY(Diaz et al. 2002, Schulz and Dickschat 2007, Irwin et al. 2012, DNP 2017)
SCC27262.13C2H6SethanethiolN93SCCInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3InChIKey=DNJIEGIFACGWOD-UHFFFAOYSA-N35.1Ex 58.02(BP est) -102.09(MP est) 35.10(BP exp) -147.80(MP exp) SCC -147.8ExptY(Swiegers and Pretorius 2005)
C=CCl27362.496C2H3ClchloroetheneN63C=CClInChI=1S/C2H3Cl/c1-2-3/h2H,1H2InChIKey=BZHJMEDXRYGGRV-UHFFFAOYSA-N-11.5Ex 3.97(BP est) -122.02(MP est) -13.30(BP exp) -153.70(MP exp) C=CCl -153.7ExptY(Gribble 2009)
O[N+]([O-])=O27463.012HNO3nitric acidN54O[N+]([O-])=OInChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)InChIKey=GRYLNZFGIOXLOG-UHFFFAOYSA-N82.4Ex 492.56(BP est) 189.14(MP est) ----(BP exp) ----(MP exp) O[N+]([O-])=O 189.1PredY(Guo et al. 2013)
OCNO27563.056CH5NO2(hydroxyamino)methanolN94OCNOInChI=1S/CH5NO2/c3-1-2-4/h2-4H,1H2InChIKey=OUGMWBAPHWXBFS-UHFFFAOYSA-N187.6Ex 187.55(BP est) -0.99(MP est) ----(BP exp) ----(MP exp) OCNO -1PredN
NC(F)(C)27763.0754C2H6FN1-fluoroethan-1-amineN104NC(F)(C)InChI=1S/C2H6FN/c1-2(3)4/h2H,4H2,1H3InChIKey=POPFWMPZFYJLRI-UHFFFAOYSA-N23.5Ex 23.51(BP est) -95.97(MP est) ----(BP exp) ----(MP exp) NC(F)(C) -96PredN
CNC(F)27863.0754C2H6FN1-fluoro-N-methylmethanamineN104CNC(F)InChI=1S/C2H6FN/c1-4-2-3/h4H,2H2,1H3InChIKey=DHQDMYDJNSEKNM-UHFFFAOYSA-N18.7Ex 18.70(BP est) -105.18(MP est) ----(BP exp) ----(MP exp) CNC(F) -105.2PredN
NC(CF)27963.0754C2H6FN2-fluoroethan-1-amineN104NC(CF)InChI=1S/C2H6FN/c3-1-2-4/h1-2,4H2InChIKey=FURHRJBOFNDYTG-UHFFFAOYSA-N39.5Ex 39.47(BP est) -83.81(MP est) ----(BP exp) ----(MP exp) NC(CF) -83.8PredN
CSN28163.118CH5NSS-methylthiohydroxylamineN83CSNInChI=1S/CH5NS/c1-3-2/h2H2,1H3InChIKey=XOVSRHHCHKUFKM-UHFFFAOYSA-N84.4Ex 84.40(BP est) -59.43(MP est) ----(BP exp) ----(MP exp) CSN -59.4PredN
O=PO28663.9798HO2Pphosphenous acidN43O=POInChI=1S/HO2P/c1-3-2/h(H,1,2)InChIKey=GQZXNSPRSGFJLY-UHFFFAOYSA-N65.2Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) O=PO 90.3PredN
POC28864.0238CH5OPmethoxyphosphaneN83POCInChI=1S/CH5OP/c1-2-3/h3H2,1H3InChIKey=JVRGLGIDPIOAFN-UHFFFAOYSA-N34.8Ex 34.80(BP est) -105.94(MP est) ----(BP exp) ----(MP exp) POC -105.9PredN
OCP28964.0238CH5OPphosphaneylmethanolN83OCPInChI=1S/CH5OP/c2-1-3/h2H,1,3H2InChIKey=RDBMUARQWLPMNW-UHFFFAOYSA-N102.8Ex 102.84(BP est) -66.78(MP est) ----(BP exp) ----(MP exp) OCP -66.8PredN
C=C(F)(F)29064.0348C2H2F21,1-difluoroetheneN64C=C(F)(F)InChI=1S/C2H2F2/c1-2(3)4/h1H2InChIKey=BQCIDUSAKPWEOX-UHFFFAOYSA-N-84.9Ex -40.36(BP est) -156.32(MP est) -85.70(BP exp) -144.00(MP exp) C=C(F)(F) -144ExptN
C(F)=C(F)29164.0348C2H2F21,2-difluoroetheneN64C(F)=C(F)InChI=1S/C2H2F2/c3-1-2-4/h1-2HInChIKey=WFLOTYSKFUPZQB-UHFFFAOYSA-N-33.1Ex -21.66(BP est) -145.53(MP est) ----(BP exp) ----(MP exp) C(F)=C(F) -145.5PredN
O=S=O29264.058O2Ssulfur dioxideN33O=S=OInChI=1S/O2S/c1-3-2InChIKey=RAHZWNYVWXNFOC-UHFFFAOYSA-N-10.0Ex 522.06(BP est) 212.80(MP est) -10.00(BP exp) -72.00(MP exp) O=S=O -72ExptY(Irwin et al. 2012)
OC(F)(C)29364.0594C2H5FO1-fluoroethan-1-olN94OC(F)(C)InChI=1S/C2H5FO/c1-2(3)4/h2,4H,1H3InChIKey=OGBOTYGRYZDLMG-UHFFFAOYSA-N43.8Ex 43.84(BP est) -101.26(MP est) ----(BP exp) ----(MP exp) OC(F)(C) -101.3PredN
OC(CF)29464.0594C2H5FO2-fluoroethan-1-olN94OC(CF)InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2InChIKey=GGDYAKVUZMZKRV-UHFFFAOYSA-N101.3Ex 67.58(BP est) -86.83(MP est) 103.50(BP exp) -26.40(MP exp) OC(CF) -26.4ExptN
COC(F)29564.0594C2H5FOfluoro(methoxy)methaneN94COC(F)InChI=1S/C2H5FO/c1-4-2-3/h2H2,1H3InChIKey=BSSAVAPAZUPJLX-UHFFFAOYSA-N-4.0Ex -3.97(BP est) -127.01(MP est) ----(BP exp) ----(MP exp) COC(F) -127PredN
NNC(F)29664.0634CH5FN2(fluoromethyl)hydrazineN94NNC(F)InChI=1S/CH5FN2/c2-1-4-3/h4H,1,3H2InChIKey=YAACAJWASBLQKD-UHFFFAOYSA-N61.9Ex 61.91(BP est) -56.57(MP est) ----(BP exp) ----(MP exp) NNC(F) -56.6PredN
C#CC1=CC129764.087C5H41-ethynylcycloprop-1-eneN95C#CC1=CC1InChI=1S/C5H4/c1-2-5-3-4-5/h1,3H,4H2InChIKey=QGPULDSMZUQXIB-UHFFFAOYSA-N67.9Ex 67.92(BP est) -59.31(MP est) ----(BP exp) ----(MP exp) C#CC1=CC1 -59.3PredN
C#CC1C=C129864.087C5H43-ethynylcycloprop-1-eneN95C#CC1C=C1InChI=1S/C5H4/c1-2-5-3-4-5/h1,3-5HInChIKey=JGJOZLNPBMYOLU-UHFFFAOYSA-N62.8Ex 62.76(BP est) -69.20(MP est) ----(BP exp) ----(MP exp) C#CC1C=C1 -69.2PredN
C=C=C=C=C29964.087C5H4penta-1,2,3,4-tetraeneN95C=C=C=C=CInChI=1S/C5H4/c1-3-5-4-2/h1-2H2InChIKey=UNSWNZFTRPSXHQ-UHFFFAOYSA-N40.3Ex 40.31(BP est) -98.04(MP est) ----(BP exp) ----(MP exp) C=C=C=C=C -98PredN
C=C=CC#C30064.087C5H4penta-1,2-dien-4-yneN95C=C=CC#CInChI=1S/C5H4/c1-3-5-4-2/h1,5H,2H2InChIKey=FPCAUUABCRPODB-UHFFFAOYSA-N55.2Ex 55.20(BP est) -78.38(MP est) ----(BP exp) ----(MP exp) C=C=CC#C -78.4PredN
CC#CC#C30164.087C5H4penta-1,3-diyneN95CC#CC#CInChI=1S/C5H4/c1-3-5-4-2/h1H,2H3InChIKey=VNMDYSSJFJFEQI-UHFFFAOYSA-N55.0Ex 73.42(BP est) -22.39(MP est) ----(BP exp) ----(MP exp) CC#CC#C -22.4PredN
C#CCC#C30264.087C5H4penta-1,4-diyneN95C#CCC#CInChI=1S/C5H4/c1-3-5-4-2/h1-2H,5H2InChIKey=MDROPVLMRLHTDK-UHFFFAOYSA-N62.5Ex 64.02(BP est) -54.70(MP est) ----(BP exp) ----(MP exp) C#CCC#C -54.7PredN
CCCl30464.512C2H5ClchloroethaneN83CCClInChI=1S/C2H5Cl/c1-2-3/h2H2,1H3InChIKey=HRYZWHHZPQKTII-UHFFFAOYSA-N12.2Ex 37.61(BP est) -111.32(MP est) 12.30(BP exp) -138.70(MP exp) CCCl -138.7ExptY(Ballschmiter 2003)
NOCF30665.0474CH4FNOO-(fluoromethyl)hydroxylamineN84NOCFInChI=1S/CH4FNO/c2-1-4-3/h1,3H2InChIKey=YUQGANJJQJORNK-UHFFFAOYSA-N40.5Ex 40.49(BP est) -78.04(MP est) ----(BP exp) ----(MP exp) NOCF -78PredN
CC#C[N+]#[C-]30765.075C4H3N1-isocyanoprop-1-yneN85CC#CN#CInChI=1S/C4H3N/c1-3-4-5-2/h1H3InChIKey=QRJFDECOKMVIKS-UHFFFAOYSA-N14.6Ex 14.63(BP est) -66.12(MP est) ----(BP exp) ----(MP exp) CC#CN#C -66.1PredN
[C-]#[N+]C=C=C30865.075C4H3N1-isocyanopropa-1,2-dieneN85C#N]C=C=CInChI=1S/C4H3N/c1-3-4-5-2/h4H,1H2InChIKey=BUSRRQVCYVJXLI-UHFFFAOYSA-N#VALUE!Ex******> SMILES NOTATION PROBLEM: C#N]C=C=C#VALUE!ExptN
C#CC1=CN130965.075C4H3N2-ethynyl-1H-azirineN85C#CC1=CN1InChI=1S/C4H3N/c1-2-4-3-5-4/h1,3,5HInChIKey=MUFVLIXKFGZEDB-UHFFFAOYSA-N107.4Ex 107.39(BP est) -0.91(MP est) ----(BP exp) ----(MP exp) C#CC1=CN1 -0.9PredN
N#CC#CC31065.075C4H3Nbut-2-ynenitrileN85N#CC#CCInChI=1S/C4H3N/c1-2-3-4-5/h1H3InChIKey=WNXDCVVDPKHWMW-UHFFFAOYSA-N101.5Ex 136.77(BP est) -0.52(MP est) ----(BP exp) ----(MP exp) N#CC#CC -0.5PredN
C#CCC#N31165.075C4H3Nbut-3-ynenitrileN85C#CCC#NInChI=1S/C4H3N/c1-2-3-4-5/h1H,3H2InChIKey=YXIMMMSICIMRFY-UHFFFAOYSA-N128.3Ex 128.27(BP est) -32.56(MP est) ----(BP exp) ----(MP exp) C#CCC#N -32.6PredN
C1=CC1C#N31265.075C4H3Ncycloprop-2-ene-1-carbonitrileN85C1=CC1C#NInChI=1S/C4H3N/c5-3-4-1-2-4/h1-2,4HInChIKey=GFKKDWJMXPLWJE-UHFFFAOYSA-N127.1Ex 127.13(BP est) -47.03(MP est) ----(BP exp) ----(MP exp) C1=CC1C#N -47PredN
NCCl31465.5CH4ClNchloromethanamineN73NCClInChI=1S/CH4ClN/c2-1-3/h1,3H2InChIKey=RAJISUUPOAJLEQ-UHFFFAOYSA-N79.8Ex 79.76(BP est) -63.02(MP est) ----(BP exp) ----(MP exp) NCCl -63PredN
B1=NNC=C131665.87C2H3BN21H-1,2,3-diazaboroleN85B1=NNC=C1InChI=1S/C2H3BN2/c1-2-4-5-3-1/h1-2,4HInChIKey=ZXZMRYBHVYXOPJ-UHFFFAOYSA-N162.3Ex 162.27(BP est) 10.80(MP est) ----(BP exp) ----(MP exp) B1=NNC=C1 10.8PredN
B1=NC=CN131765.87C2H3BN21H-1,3,2-diazaboroleN85B1=NC=CN1InChI=1S/C2H3BN2/c1-2-5-3-4-1/h1-2,4HInChIKey=JBHWFTWMNPYAKF-UHFFFAOYSA-N97.2Ex 97.19(BP est) -8.20(MP est) ----(BP exp) ----(MP exp) B1=NC=CN1 -8.2PredN
C#CB(C)C32165.91C4H7BethynyldimethylboraneN125C#CB(C)CInChI=1S/C4H7B/c1-4-5(2)3/h1H,2-3H3InChIKey=PJKNDTSEEMEQRT-UHFFFAOYSA-N27.6Ex 27.60(BP est) -100.13(MP est) ----(BP exp) ----(MP exp) C#CB(C)C -100.1PredN
O=[PH2]O32265.9958H3O2Pphosphinic acidN63O=POInChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)InChIKey=ACVYVLVWPXVTIT-UHFFFAOYSA-N65.2Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) O=PO 90.3PredN
PCF32466.0152CH4FP(fluoromethyl)phosphaneN73PCFInChI=1S/CH4FP/c2-1-3/h1,3H2InChIKey=UCWVGIYVICXULU-UHFFFAOYSA-N9.6Ex 9.59(BP est) -124.12(MP est) ----(BP exp) ----(MP exp) PCF -124.1PredN
C(C(F)F)32566.0508C2H4F21,1-difluoroethaneN84C(C(F)F)InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3InChIKey=NPNPZTNLOVBDOC-UHFFFAOYSA-N-24.8Ex -47.75(BP est) -158.11(MP est) -24.90(BP exp) -117.00(MP exp) C(C(F)F) -117ExptN
C(F)(CF)32666.0508C2H4F21,2-difluoroethaneN84C(F)(CF)InChI=1S/C2H4F2/c3-1-2-4/h1-2H2InChIKey=AHFMSNDOYCFEPH-UHFFFAOYSA-N13.5Ex -30.40(BP est) -145.55(MP est) 30.70(BP exp) ----(MP exp) C(F)(CF) -145.6PredN
C#CC1=CO132766.059C4H2O2-ethynyloxireneN75C#CC1=CO1InChI=1S/C4H2O/c1-2-4-3-5-4/h1,3HInChIKey=SVUFOBIDRJMGAN-UHFFFAOYSA-N74.7Ex 74.70(BP est) -49.68(MP est) ----(BP exp) ----(MP exp) C#CC1=CO1 -49.7PredN
N#CC\1/N=C/132866.063C3H2N22H-azirine-2-carbonitrileN75N#CC\1/N=C/1InChI=1S/C3H2N2/c4-1-3-2-5-3/h2-3HInChIKey=NOZGHLCSOSEBFI-UHFFFAOYSA-N141.7Ex 141.66(BP est) -12.65(MP est) ----(BP exp) ----(MP exp) N#CC\1/N=C/1 -12.7PredN
[C-]#[N+]CC#N32966.063C3H2N22-isocyanoacetonitrileN75C#N]CC#NInChI=1S/C3H2N2/c1-5-3-2-4/h3H2InChIKey=JZYMPMDJXMQKLT-UHFFFAOYSA-N#VALUE!Ex******> SMILES NOTATION PROBLEM: C#N]CC#N#VALUE!ExptN
N#CCC#N33066.063C3H2N2malononitrileN75N#CCC#NInChI=1S/C3H2N2/c4-2-1-3-5/h1H2InChIKey=CUONGYYJJVDODC-UHFFFAOYSA-N219.1Ex 186.11(BP est) -12.30(MP est) 218.50(BP exp) 32.00(MP exp) N#CCC#N 32ExptY(de Lacy Costello et al. 2014)
SC(F)33166.0934CH3FSfluoromethanethiolN63SC(F)InChI=1S/CH3FS/c2-1-3/h3H,1H2InChIKey=QAELBUPWYLAZOK-UHFFFAOYSA-N34.6Ex 34.60(BP est) -114.27(MP est) ----(BP exp) ----(MP exp) SC(F) -114.3PredN
C=CC1=CC133266.103C5H61-vinylcycloprop-1-eneN115C=CC1=CC1InChI=1S/C5H6/c1-2-5-3-4-5/h2-3H,1,4H2InChIKey=CIRQLHNCULZPSO-UHFFFAOYSA-N57.1Ex 57.11(BP est) -86.83(MP est) ----(BP exp) ----(MP exp) C=CC1=CC1 -86.8PredN
C=C(C#C)C33366.103C5H62-methylbut-1-en-3-yneN115C=C(C#C)CInChI=1S/C5H6/c1-4-5(2)3/h1H,2H2,3H3InChIKey=BOFLDKIFLIFLJA-UHFFFAOYSA-N32.2Ex 46.09(BP est) -91.27(MP est) 32.00(BP exp) -113.00(MP exp) C=C(C#C)C -113ExptY(de Lacy Costello et al. 2014)
C=C1CC=C133466.103C5H63-methylenecyclobut-1-eneN115C=C1CC=C1InChI=1S/C5H6/c1-5-3-2-4-5/h2-3H,1,4H2InChIKey=AQSOFHKMDGNCDW-UHFFFAOYSA-N57.2Ex 57.20(BP est) -87.11(MP est) ----(BP exp) ----(MP exp) C=C1CC=C1 -87.1PredN
C=CC1C=C133566.103C5H63-vinylcycloprop-1-eneN115C=CC1C=C1InChI=1S/C5H6/c1-2-5-3-4-5/h2-5H,1H2InChIKey=AFVXHPBHWSOYEJ-UHFFFAOYSA-N51.9Ex 51.87(BP est) -96.74(MP est) ----(BP exp) ----(MP exp) C=CC1C=C1 -96.7PredY(Brown 2010)
C1(C2)=C2CC133666.103C5H6bicyclo[2.1.0]pent-1(4)-eneN115C1(C2)=C2CC1InChI=1S/C5H6/c1-2-5-3-4(1)5/h1-3H2InChIKey=CKOWDYTWJVQGAS-UHFFFAOYSA-N66.2Ex 66.19(BP est) -64.19(MP est) ----(BP exp) ----(MP exp) C1(C2)=C2CC1 -64.2PredN
C/1C2C\C=C\1233766.103C5H6bicyclo[2.1.0]pent-1-eneN115C/1C2C\C=C\12InChI=1S/C5H6/c1-2-5-3-4(1)5/h1,5H,2-3H2InChIKey=ONHWEKNXUWQYQP-UHFFFAOYSA-N61.0Ex 61.02(BP est) -74.08(MP est) ----(BP exp) ----(MP exp) C/1C2C\C=C\12 -74.1PredN
C12=CC1CC233866.103C5H6bicyclo[2.1.0]pent-4-eneN115C12=CC1CC2InChI=1S/C5H6/c1-2-5-3-4(1)5/h3-4H,1-2H2InChIKey=IXKBYNKEOUYFMG-UHFFFAOYSA-N61.0Ex 61.02(BP est) -74.08(MP est) ----(BP exp) ----(MP exp) C12=CC1CC2 -74.1PredN
C1C=CC=C133966.103C5H6cyclopenta-1,3-dieneN115C1C=CC=C1InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2InChIKey=ZSWFCLXCOIISFI-UHFFFAOYSA-N41.4Ex 69.17(BP est) -91.83(MP est) 41.00(BP exp) -85.00(MP exp) C1C=CC=C1 -85ExptY(de Lacy Costello et al. 2014)
C#CC1CC134066.103C5H6ethynylcyclopropaneN115C#CC1CC1InChI=1S/C5H6/c1-2-5-3-4-5/h1,5H,3-4H2InChIKey=NPTDXPDGUHAFKC-UHFFFAOYSA-N52.0Ex 59.42(BP est) -70.55(MP est) ----(BP exp) ----(MP exp) C#CC1CC1 -70.6PredN
CC#CC=C34166.103C5H6pent-1-en-3-yneN115CC#CC=CInChI=1S/C5H6/c1-3-5-4-2/h3H,1H2,2H3InChIKey=FILUFGAZMJGNEN-UHFFFAOYSA-N58.9Ex 62.69(BP est) -49.88(MP est) 59.50(BP exp) ----(MP exp) CC#CC=C -49.9PredN
C=CCC#C34266.103C5H6pent-1-en-4-yneN115C=CCC#CInChI=1S/C5H6/c1-3-5-4-2/h1,4H,2,5H2InChIKey=LKOBTUTURSPCEE-UHFFFAOYSA-N42.1Ex 53.15(BP est) -82.23(MP est) 42.50(BP exp) ----(MP exp) C=CCC#C -82.2PredN
CC=CC#C34366.103C5H6pent-3-en-1-yneN115CC=CC#CInChI=1S/C5H6/c1-3-5-4-2/h1,4-5H,2H3InChIKey=XAJOPMVSQIBJCW-UHFFFAOYSA-N44.4Ex 62.93(BP est) -81.04(MP est) 52.20(BP exp) ----(MP exp) CC=CC#C -81PredY(Tirillini et al. 2000)
C=CC=C=C34466.103C5H6penta-1,2,4-trieneN115C=CC=C=CInChI=1S/C5H6/c1-3-5-4-2/h3,5H,1-2H2InChIKey=FNQQBQSISCLVNQ-UHFFFAOYSA-N48.3Ex 44.19(BP est) -105.96(MP est) ----(BP exp) ----(MP exp) C=CC=C=C -106PredN
C1=CC12CC234566.103C5H6spiro[2.2]pent-1-eneN115C1=CC12CC2InChI=1S/C5H6/c1-2-5(1)3-4-5/h1-2H,3-4H2InChIKey=YGSMGHRVKGFZPG-UHFFFAOYSA-N49.7Ex 49.69(BP est) -71.70(MP est) ----(BP exp) ----(MP exp) C1=CC12CC2 -71.7PredN
C=C=C1CC134666.103C5H6vinylidenecyclopropaneN115C=C=C1CC1InChI=1S/C5H6/c1-2-5-3-4-5/h1,3-4H2InChIKey=HFQASYJFLBWTOZ-UHFFFAOYSA-N53.5Ex 53.52(BP est) -83.55(MP est) ----(BP exp) ----(MP exp) C=C=C1CC1 -83.6PredN
OCCl34766.484CH3ClOchloromethanolN63OCClInChI=1S/CH3ClO/c2-1-3/h3H,1H2InChIKey=BCUPGIHTCQJCSI-UHFFFAOYSA-N106.3Ex 106.30(BP est) -66.49(MP est) ----(BP exp) ----(MP exp) OCCl -66.5PredN
NC(F)(F)34967.0388CH3F2NdifluoromethanamineN74NC(F)(F)InChI=1S/CH3F2N/c2-1(3)4/h1H,4H2InChIKey=ULCQLKLSKPUXQR-UHFFFAOYSA-N-1.0Ex -0.99(BP est) -108.47(MP est) ----(BP exp) ----(MP exp) NC(F)(F) -108.5PredN
[N-]=[N+]=CC#N35167.051C2HN32-diazoacetonitrileN65[N-]=[N+]=CC#NInChI=1S/C2HN3/c3-1-2-5-4/h2HInChIKey=MNQLVKDZYHGRNW-UHFFFAOYSA-N373.0Ex 373.03(BP est) 148.69(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=CC#N 148.7PredN
N1C=CC=C135267.091C4H5N1H-pyrroleN105N1C=CC=C1InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5HInChIKey=KAESVJOAVNADME-UHFFFAOYSA-N129.7Ex 126.30(BP est) -44.83(MP est) 129.70(BP exp) -23.40(MP exp) N1C=CC=C1 -23.4ExptY(Jerkovi? et al. 2006)
C#CC1CN135367.091C4H5N2-ethynylaziridineN105C#CC1CN1InChI=1S/C4H5N/c1-2-4-3-5-4/h1,4-5H,3H2InChIKey=QDYWNLSULCXJQT-UHFFFAOYSA-N99.4Ex 99.38(BP est) -12.01(MP est) ----(BP exp) ----(MP exp) C#CC1CN1 -12PredN
C=CC1=CN135467.091C4H5N2-vinyl-1H-azirineN105C=CC1=CN1InChI=1S/C4H5N/c1-2-4-3-5-4/h2-3,5H,1H2InChIKey=YSQLYPJSYGUNIV-UHFFFAOYSA-N97.2Ex 97.20(BP est) -28.25(MP est) ----(BP exp) ----(MP exp) C=CC1=CN1 -28.3PredN
C=CC[N+]#[C-]35567.091C4H5N3-isocyanoprop-1-eneN105C=CCN#CInChI=1S/C4H5N/c1-3-4-5-2/h3H,1,4H2InChIKey=LXJDXBGQVSHLOJ-UHFFFAOYSA-N98.0Ex -7.26(BP est) -126.44(MP est) ----(BP exp) ----(MP exp) C=CCN#C -126.4PredN
C1(N2)=C2CC135667.091C4H5N5-azabicyclo[2.1.0]pent-1(4)-eneN105C1(N2)=C2CC1InChI=1S/C4H5N/c1-2-4-3(1)5-4/h5H,1-2H2InChIKey=CRAGJMLKBFRPTO-UHFFFAOYSA-N105.8Ex 105.76(BP est) -5.76(MP est) ----(BP exp) ----(MP exp) C1(N2)=C2CC1 -5.8PredN
C/C=C\C#N35767.091C4H5Nbut-2-enenitrileN105C/C=C\C#NInChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3InChIKey=NKKMVIVFRUYPLQ-UHFFFAOYSA-N113.4Ex 127.28(BP est) -58.88(MP est) 120.50(BP exp) 201.00(MP exp) C/C=C\C#N 201ExptY(de Lacy Costello et al. 2014)
N#CCC=C35867.091C4H5Nbut-3-enenitrileN105N#CCC=CInChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2InChIKey=SJNALLRHIVGIBI-UHFFFAOYSA-N118.3Ex 118.42(BP est) -59.80(MP est) 119.00(BP exp) -87.00(MP exp) N#CCC=C -87ExptY(Krul et al. 2002, Tanii et al. 2004)
N#CC1CC135967.091C4H5NcyclopropanecarbonitrileN105N#CC1CC1InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2InChIKey=AUQDITHEDVOTCU-UHFFFAOYSA-N134.9Ex 124.11(BP est) -48.29(MP est) 135.10(BP exp) ----(MP exp) N#CC1CC1 -48.3PredN
[C-]#[N+]C1CC136067.091C4H5NisocyanocyclopropaneN105C#NC1CC1InChI=1S/C4H5N/c1-5-4-2-3-4/h4H,2-3H2InChIKey=AMIXWJQKUQVEEC-UHFFFAOYSA-N-0.5Ex -0.49(BP est) -114.61(MP est) ----(BP exp) ----(MP exp) C#NC1CC1 -114.6PredN
CC(C#N)=C36167.091C4H5NmethacrylonitrileN105CC(C#N)=CInChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3InChIKey=GYCMBHHDWRMZGG-UHFFFAOYSA-N90.1Ex 112.02(BP est) -68.65(MP est) 90.30(BP exp) -35.80(MP exp) CC(C#N)=C -35.8ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
C=CB(C)C36967.926C4H9Bdimethyl(vinyl)boraneN145C=CB(C)CInChI=1S/C4H9B/c1-4-5(2)3/h4H,1H2,2-3H3InChIKey=BJZRMJYVZYZPMM-UHFFFAOYSA-N16.2Ex 16.19(BP est) -127.83(MP est) ----(BP exp) ----(MP exp) C=CB(C)C -127.8PredN
OC(F)(F)37068.0228CH2F2OdifluoromethanolN64OC(F)(F)InChI=1S/CH2F2O/c2-1(3)4/h1,4HInChIKey=FMLSOUMOHNIGAA-UHFFFAOYSA-N20.0Ex 19.97(BP est) -113.57(MP est) ----(BP exp) ----(MP exp) OC(F)(F) -113.6PredN
O=C=C=C=O37168.031C3O2propa-1,2-diene-1,3-dioneN55O=C=C=C=OInChI=1S/C3O2/c4-2-1-3-5InChIKey=GNEVIACKFGQMHB-UHFFFAOYSA-N6.8Ex -20.15(BP est) -109.30(MP est) 6.80(BP exp) -107.00(MP exp) O=C=C=C=O -107ExptN
N#CN=C=O37268.035C2N2Ocyanic isocyanateN55N#CN=C=OInChI=1S/C2N2O/c3-1-4-2-5InChIKey=BWOVZCWSJFYBRM-UHFFFAOYSA-N139.3Ex 139.27(BP est) -16.63(MP est) ----(BP exp) ----(MP exp) N#CN=C=O -16.6PredN
C#C(C#CF)37368.0504C4HF1-fluorobuta-1,3-diyneN65C#C(C#CF)InChI=1S/C4HF/c1-2-3-4-5/h1HInChIKey=XLMVPPCMRBLRSB-UHFFFAOYSA-N50.5Ex 50.49(BP est) -34.42(MP est) ----(BP exp) ----(MP exp) C#C(C#CF) -34.4PredN
C#COC=C37468.075C4H4O(ethynyloxy)etheneN95C#COC=CInChI=1S/C4H4O/c1-3-5-4-2/h1,4H,2H2InChIKey=CXKWXYISKZVUBR-UHFFFAOYSA-N54.2Ex 54.15(BP est) -76.46(MP est) ----(BP exp) ----(MP exp) C#COC=C -76.5PredN
C#CC1CO137568.075C4H4O2-ethynyloxiraneN95C#CC1CO1InChI=1S/C4H4O/c1-2-4-3-5-4/h1,4H,3H2InChIKey=WYFBDQAYFMKCER-UHFFFAOYSA-N66.3Ex 66.28(BP est) -60.90(MP est) ----(BP exp) ----(MP exp) C#CC1CO1 -60.9PredN
O=C\1/C=C/1C37668.075C4H4O2-methylcycloprop-2-en-1-oneN95O=C\1/C=C/1CInChI=1S/C4H4O/c1-3-2-4(3)5/h2H,1H3InChIKey=RPXKJTRXDSLNMW-UHFFFAOYSA-N104.0Ex 103.99(BP est) -43.79(MP est) ----(BP exp) ----(MP exp) O=C\1/C=C/1C -43.8PredN
O1C23CC13C237768.075C4H4O2-oxatricyclo[1.1.1.0(1,3)]pentaneN95O1C23CC13C2InChI=1S/C4H4O/c1-3-2-4(1,3)5-3/h1-2H2InChIKey=XZQCDHMVCQPVEE-UHFFFAOYSA-N36.8Ex 36.81(BP est) -41.99(MP est) ----(BP exp) ----(MP exp) O1C23CC13C2 -42PredN
C=CC1=CO137868.075C4H4O2-vinyloxireneN95C=CC1=CO1InChI=1S/C4H4O/c1-2-4-3-5-4/h2-3H,1H2InChIKey=CMPBOZHPRLJNDP-UHFFFAOYSA-N64.0Ex 63.99(BP est) -77.17(MP est) ----(BP exp) ----(MP exp) C=CC1=CO1 -77.2PredN
C1(O2)=C2CC137968.075C4H4O5-oxabicyclo[2.1.0]pent-1(4)-eneN95C1(O2)=C2CC1InChI=1S/C4H4O/c1-2-4-3(1)5-4/h1-2H2InChIKey=SRGCBRJIRLYDOR-UHFFFAOYSA-N73.0Ex 72.98(BP est) -54.56(MP est) ----(BP exp) ----(MP exp) C1(O2)=C2CC1 -54.6PredN
O=CC#CC38168.075C4H4Obut-2-ynalN95O=CC#CCInChI=1S/C4H4O/c1-2-3-4-5/h4H,1H3InChIKey=REJPDMLLCDXIOV-UHFFFAOYSA-N102.4Ex 102.39(BP est) -22.05(MP est) ----(BP exp) ----(MP exp) O=CC#CC -22.1PredN
C#CC(C)=O38268.075C4H4Obut-3-yn-2-oneN95C#CC(C)=OInChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3InChIKey=XRGPFNGLRSIPSA-UHFFFAOYSA-N84.5Ex 79.12(BP est) -54.44(MP est) 84.00(BP exp) ----(MP exp) C#CC(C)=O -54.4PredN
O=CCC#C38368.075C4H4Obut-3-ynalN95O=CCC#CInChI=1S/C4H4O/c1-2-3-4-5/h1,4H,3H2InChIKey=OGQNOIVDVXRWRE-UHFFFAOYSA-N93.4Ex 93.40(BP est) -54.24(MP est) ----(BP exp) ----(MP exp) O=CCC#C -54.2PredY(Wishart et al. 2013)
O=C=C=CC38468.075C4H4Obuta-1,2-dien-1-oneN95O=C=C=CCInChI=1S/C4H4O/c1-2-3-4-5/h2H,1H3InChIKey=YWAAKSBJISUYNU-UHFFFAOYSA-N18.8Ex 18.83(BP est) -106.03(MP est) ----(BP exp) ----(MP exp) O=C=C=CC -106PredN
O=CC=C=C38568.075C4H4Obuta-2,3-dienalN95O=CC=C=CInChI=1S/C4H4O/c1-2-3-4-5/h3-4H,1H2InChIKey=OYBQILSQCOWJHL-UHFFFAOYSA-N84.9Ex 84.94(BP est) -77.82(MP est) ----(BP exp) ----(MP exp) O=CC=C=C -77.8PredN
C1C=CC1=O38668.075C4H4Ocyclobut-2-en-1-oneN95C1C=CC1=OInChI=1S/C4H4O/c5-4-2-1-3-4/h1-2H,3H2InChIKey=DFLRGCFWSRELEL-UHFFFAOYSA-N108.2Ex 108.22(BP est) -50.58(MP est) ----(BP exp) ----(MP exp) C1C=CC1=O -50.6PredN
O=CC=1CC=138768.075C4H4Ocycloprop-1-ene-1-carbaldehydeN95O=CC=1CC=1InChI=1S/C4H4O/c5-3-4-1-2-4/h1,3H,2H2InChIKey=DNFUTEXWYLMSIZ-UHFFFAOYSA-N95.1Ex 95.10(BP est) -69.12(MP est) ----(BP exp) ----(MP exp) O=CC=1CC=1 -69.1PredN
O=CC\1/C=C/138868.075C4H4Ocycloprop-2-ene-1-carbaldehydeN95O=CC\1/C=C/1InChI=1S/C4H4O/c5-3-4-1-2-4/h1-4HInChIKey=XWTYFWLGFNQPJP-UHFFFAOYSA-N92.2Ex 92.19(BP est) -68.73(MP est) ----(BP exp) ----(MP exp) O=CC\1/C=C/1 -68.7PredN
O=C=C1CC138968.075C4H4OcyclopropylidenemethanoneN95O=C=C1CC1InChI=1S/C4H4O/c5-3-4-1-2-4/h1-2H2InChIKey=IDITVISEENJSMD-UHFFFAOYSA-N24.4Ex 24.36(BP est) -88.86(MP est) ----(BP exp) ----(MP exp) O=C=C1CC1 -88.9PredN
O1C=CC=C139068.075C4H4OfuranN95O1C=CC=C1InChI=1S/C4H4O/c1-2-4-5-3-1/h1-4HInChIKey=YLQBMQCUIZJEEH-UHFFFAOYSA-N31.3Ex 59.30(BP est) -87.06(MP est) 31.50(BP exp) -85.60(MP exp) O1C=CC=C1 -85.6ExptY(Papaleo et al. 2013)
C1=NC=CN139168.079C3H4N21H-imidazoleN95C1=NC=CN1InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)InChIKey=RAXXELZNTBOGNW-UHFFFAOYSA-N256.8Ex 240.06(BP est) 18.52(MP est) 257.00(BP exp) 90.50(MP exp) C1=NC=CN1 90.5ExptY(Hayman and Gray 1987, Wishart et al. 2013)
N1N=CC=C139268.079C3H4N21H-pyrazoleN95N1N=CC=C1InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)InChIKey=WTKZEGDFNFYCGP-UHFFFAOYSA-N186.4Ex 175.67(BP est) -0.28(MP est) 187.00(BP exp) 68.00(MP exp) N1N=CC=C1 68ExptY(Blair and Sperry 2013)
C=NCC#N39368.079C3H4N22-(methyleneamino)acetonitrileN95C=NCC#NInChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2InChIKey=GFZMFCVDDFHSJK-UHFFFAOYSA-N121.7Ex 121.66(BP est) -63.22(MP est) ----(BP exp) 129.00(MP exp) C=NCC#N 129ExptN
N#CC(=C)N39468.079C3H4N22-aminoacrylonitrileN95N#CC(=C)NInChI=1S/C3H4N2/c1-3(5)2-4/h1,5H2InChIKey=ZFFWIOSEDOAZAY-UHFFFAOYSA-N149.7Ex 149.72(BP est) -21.65(MP est) ----(BP exp) ----(MP exp) N#CC(=C)N -21.7PredY(Gu et al. 2013)
N#C\C=C\N39568.079C3H4N23-aminoacrylonitrileN95N#C\C=C\NInChI=1S/C3H4N2/c4-2-1-3-5/h1-2H,4H2InChIKey=RORTUEWWZUJHTM-UHFFFAOYSA-N164.0Ex 164.00(BP est) -12.16(MP est) ----(BP exp) ----(MP exp) N#C\C=C\N -12.2PredN
[N-]=[N+]=CC=C39668.079C3H4N23-diazoprop-1-eneN95[N-]=[N+]=CC=CInChI=1S/C3H4N2/c1-2-3-5-4/h2-3H,1H2InChIKey=AJYIGJXFGZQYHI-UHFFFAOYSA-N336.9Ex 336.94(BP est) 120.74(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=CC=C 120.7PredN
C1C=NC=N139768.079C3H4N24H-imidazoleN95C1C=NC=N1InChI=1S/C3H4N2/c1-2-5-3-4-1/h1,3H,2H2InChIKey=LGRQUXHYJBFGTM-UHFFFAOYSA-N100.7Ex 100.65(BP est) -22.37(MP est) ----(BP exp) ----(MP exp) C1C=NC=N1 -22.4PredN
C1C=NN=C139868.079C3H4N24H-pyrazoleN95C1C=NN=C1InChI=1S/C3H4N2/c1-2-4-5-3-1/h2-3H,1H2InChIKey=NILYRCYRBPDITI-UHFFFAOYSA-N100.7Ex 100.65(BP est) -22.37(MP est) ----(BP exp) ----(MP exp) C1C=NN=C1 -22.4PredN
N#CN1CC139968.079C3H4N2aziridine-1-carbonitrileN95N#CN1CC1InChI=1S/C3H4N2/c4-3-5-1-2-5/h1-2H2InChIKey=QVDCANBBJMFTOO-UHFFFAOYSA-N134.6Ex 134.61(BP est) -12.67(MP est) ----(BP exp) ----(MP exp) N#CN1CC1 -12.7PredN
C1C(N1)C#N40068.079C3H4N2aziridine-2-carbonitrileN95C1C(N1)C#NInChI=1S/C3H4N2/c4-1-3-2-5-3/h3,5H,2H2InChIKey=PGZUFTROELAOMP-UHFFFAOYSA-N160.2Ex 160.19(BP est) 9.12(MP est) ----(BP exp) ----(MP exp) C1C(N1)C#N 9.1PredN
C=CNC#N40168.079C3H4N2N-vinylcyanamideN95C=CNC#NInChI=1S/C3H4N2/c1-2-5-3-4/h2,5H,1H2InChIKey=KHCDHZHDHPXIHE-UHFFFAOYSA-N138.4Ex 138.36(BP est) -33.29(MP est) ----(BP exp) ----(MP exp) C=CNC#N -33.3PredN
CC(C1)=C1C40268.119C5H81,2-dimethylcycloprop-1-eneN135CC(C1)=C1CInChI=1S/C5H8/c1-4-3-5(4)2/h3H2,1-2H3InChIKey=QWKHRBFLFYXNDY-UHFFFAOYSA-N40.0Ex 56.83(BP est) -79.78(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1C -79.8PredN
CC1=CC1C40368.119C5H81,3-dimethylcycloprop-1-eneN135CC1=CC1CInChI=1S/C5H8/c1-4-3-5(4)2/h3-4H,1-2H3InChIKey=SSFOZRFKIOXSEL-UHFFFAOYSA-N51.6Ex 51.59(BP est) -89.69(MP est) ----(BP exp) ----(MP exp) CC1=CC1C -89.7PredN
CCC1=CC140468.119C5H81-ethylcycloprop-1-eneN135CCC1=CC1InChI=1S/C5H8/c1-2-5-3-4-5/h3H,2,4H2,1H3InChIKey=QHFUTZLUZYEBIN-UHFFFAOYSA-N59.0Ex 59.02(BP est) -85.39(MP est) ----(BP exp) ----(MP exp) CCC1=CC1 -85.4PredN
C=C1CC1C40568.119C5H81-methyl-2-methylenecyclopropaneN135C=C1CC1CInChI=1S/C5H8/c1-4-3-5(4)2/h5H,1,3H2,2H3InChIKey=PKCSMQZDZICOIA-UHFFFAOYSA-N44.0Ex 43.96(BP est) -91.71(MP est) ----(BP exp) ----(MP exp) C=C1CC1C -91.7PredN
CC12CC2C140668.119C5H81-methylbicyclo[1.1.0]butaneN135CC12CC2C1InChI=1S/C5H8/c1-5-2-4(5)3-5/h4H,2-3H2,1H3InChIKey=XWWLRTHZWLTSNA-UHFFFAOYSA-N36.3Ex 36.31(BP est) -76.34(MP est) ----(BP exp) ----(MP exp) CC12CC2C1 -76.3PredN
CC1=CCC140768.119C5H81-methylcyclobut-1-eneN135CC1=CCC1InChI=1S/C5H8/c1-5-3-2-4-5/h3H,2,4H2,1H3InChIKey=AVPHQXWAMGTQPF-UHFFFAOYSA-N39.6Ex 61.36(BP est) -86.47(MP est) ----(BP exp) ----(MP exp) CC1=CCC1 -86.5PredN
CC1(C)C=C140868.119C5H83,3-dimethylcycloprop-1-eneN135CC1(C)C=C1InChI=1S/C5H8/c1-5(2)3-4-5/h3-4H,1-2H3InChIKey=ZHYHTHWCDOOOJU-UHFFFAOYSA-N15.5Ex 40.11(BP est) -87.35(MP est) ----(BP exp) ----(MP exp) CC1(C)C=C1 -87.4PredN
CCC1C=C140968.119C5H83-ethylcycloprop-1-eneN135CCC1C=C1InChI=1S/C5H8/c1-2-5-3-4-5/h3-5H,2H2,1H3InChIKey=KJHTVSNKTVUVIG-UHFFFAOYSA-N53.8Ex 53.80(BP est) -95.30(MP est) ----(BP exp) ----(MP exp) CCC1C=C1 -95.3PredN
CC(C#C)C41068.119C5H83-methylbut-1-yneN135CC(C#C)CInChI=1S/C5H8/c1-4-5(2)3/h1,5H,2-3H3InChIKey=USCSRAJGJYMJFZ-UHFFFAOYSA-N27.9Ex 39.44(BP est) -92.86(MP est) 26.30(BP exp) -89.70(MP exp) CC(C#C)C -89.7ExptY(de Lacy Costello et al. 2014)
C=C=C(C)C41168.119C5H83-methylbuta-1,2-dieneN135C=C=C(C)CInChI=1S/C5H8/c1-4-5(2)3/h1H2,2-3H3InChIKey=PAKGDPSCXSUALC-UHFFFAOYSA-N40.2Ex 39.01(BP est) -113.57(MP est) 40.83(BP exp) -113.60(MP exp) C=C=C(C)C -113.6ExptY(de Lacy Costello et al. 2014)
CC1CC=C141268.119C5H83-methylcyclobut-1-eneN135CC1CC=C1InChI=1S/C5H8/c1-5-3-2-4-5/h2-3,5H,4H2,1H3InChIKey=NFTHULPHIBKNNM-UHFFFAOYSA-N56.2Ex 56.15(BP est) -96.37(MP est) ----(BP exp) ----(MP exp) CC1CC=C1 -96.4PredN
C12CC1CC241368.119C5H8bicyclo[2.1.0]pentaneN135C12CC1CC2InChI=1S/C5H8/c1-2-5-3-4(1)5/h4-5H,1-3H2InChIKey=MHLPKAGDPWUOOT-UHFFFAOYSA-N46.0Ex 52.44(BP est) -85.35(MP est) 45.50(BP exp) ----(MP exp) C12CC1CC2 -85.4PredN
C1CCC=C141468.119C5H8cyclopenteneN135C1CCC=C1InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2InChIKey=LPIQUOYDBNQMRZ-UHFFFAOYSA-N44.1Ex 65.86(BP est) -93.18(MP est) 44.20(BP exp) -135.10(MP exp) C1CCC=C1 -135.1ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
CC=C1CC141568.119C5H8ethylidenecyclopropaneN135CC=C1CC1InChI=1S/C5H8/c1-2-5-3-4-5/h2H,3-4H2,1H3InChIKey=ZIFNDRXSSPCNID-UHFFFAOYSA-N61.3Ex 61.27(BP est) -86.20(MP est) ----(BP exp) ----(MP exp) CC=C1CC1 -86.2PredN
C=C(C=C)C41668.119C5H8isopreneN135C=C(C=C)CInChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3InChIKey=RRHGJUQNOFWUDK-UHFFFAOYSA-N34.0Ex 34.95(BP est) -118.89(MP est) 34.00(BP exp) -145.90(MP exp) C=C(C=C)C -145.9ExptY(Romoli et al. 2014)
C=C1CCC141768.119C5H8methylenecyclobutaneN135C=C1CCC1InChI=1S/C5H8/c1-5-3-2-4-5/h1-4H2InChIKey=QIRVGKYPAOQVNP-UHFFFAOYSA-N42.0Ex 53.83(BP est) -88.47(MP est) 42.20(BP exp) -134.70(MP exp) C=C1CCC1 -134.7ExptN
CCCC#C41868.119C5H8pent-1-yneN135CCCC#CInChI=1S/C5H8/c1-3-5-4-2/h1H,4-5H2,2H3InChIKey=IBXNCJKFFQIKKY-UHFFFAOYSA-N40.1Ex 55.07(BP est) -80.79(MP est) 40.10(BP exp) -90.00(MP exp) CCCC#C -90ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
CC#CCC41968.119C5H8pent-2-yneN135CC#CCCInChI=1S/C5H8/c1-3-5-4-2/h3H2,1-2H3InChIKey=NKTDTMONXHODTI-UHFFFAOYSA-N56.1Ex 64.58(BP est) -48.45(MP est) 56.10(BP exp) -109.30(MP exp) CC#CCC -109.3ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
C=C=CCC42068.119C5H8penta-1,2-dieneN135C=C=CCCInChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3InChIKey=LVMTVPFRTKXRPH-UHFFFAOYSA-N44.3Ex 46.14(BP est) -104.51(MP est) 44.90(BP exp) -137.30(MP exp) C=C=CCC -137.3ExptY(de Lacy Costello et al. 2014)
CC=CC=C42168.119C5H8penta-1,3-dieneN135CC=CC=CInChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3InChIKey=PMJHHCWVYXUKFD-UHFFFAOYSA-N43.0Ex 52.04(BP est) -108.58(MP est) 42.00(BP exp) -87.40(MP exp) CC=CC=C -87.4ExptY(de Lacy Costello et al. 2014)
C=CCC=C42268.119C5H8penta-1,4-dieneN135C=CCC=CInChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2InChIKey=QYZLKGVUSQXAMU-UHFFFAOYSA-N25.8Ex 42.12(BP est) -109.82(MP est) 26.00(BP exp) -148.80(MP exp) C=CCC=C -148.8ExptY(de Lacy Costello et al. 2014)
CC=C=CC42368.119C5H8penta-2,3-dieneN135CC=C=CCInChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3InChIKey=PODAMDNJNMAKAZ-UHFFFAOYSA-N48.2Ex 56.01(BP est) -103.29(MP est) 48.20(BP exp) -125.60(MP exp) CC=C=CC -125.6ExptN
C12(CC2)CC142468.119C5H8spiro[2.2]pentaneN135C12(CC2)CC1InChI=1S/C5H8/c1-2-5(1)3-4-5/h1-4H2InChIKey=OGNAOIGAPPSUMG-UHFFFAOYSA-N39.0Ex 46.29(BP est) -73.07(MP est) 39.00(BP exp) -134.60(MP exp) C12(CC2)CC1 -134.6ExptN
C=CC1CC142568.119C5H8vinylcyclopropaneN135C=CC1CC1InChI=1S/C5H8/c1-2-5-3-4-5/h2,5H,1,3-4H2InChIKey=YIWFBNMYFYINAD-UHFFFAOYSA-N40.3Ex 48.48(BP est) -98.11(MP est) ----(BP exp) ----(MP exp) C=CC1CC1 -98.1PredN
C(Cl)(F)42668.4754CH2ClFchlorofluoromethaneN53C(Cl)(F)InChI=1S/CH2ClF/c2-1-3/h1H2InChIKey=XWCDCDSDNJVCLO-UHFFFAOYSA-N-9.4Ex 13.54(BP est) -123.69(MP est) -9.10(BP exp) -133.00(MP exp) C(Cl)(F) -133ExptN
N#CC(C)=O42769.063C3H3NOacetyl cyanideN85N#CC(C)=OInChI=1S/C3H3NO/c1-3(5)2-4/h1H3InChIKey=QLDHWVVRQCGZLE-UHFFFAOYSA-N92.0Ex 141.92(BP est) -32.73(MP est) 92.30(BP exp) ----(MP exp) N#CC(C)=O -32.7PredY(Gu et al. 2013)
O=C=NC=C42869.063C3H3NOisocyanatoetheneN85O=C=NC=CInChI=1S/C3H3NO/c1-2-4-3-5/h2H,1H2InChIKey=WARQUFORVQESFF-UHFFFAOYSA-N65.5Ex 65.50(BP est) -65.90(MP est) ----(BP exp) ----(MP exp) O=C=NC=C -65.9PredN
O1N=CC=C142969.063C3H3NOisoxazoleN85O1N=CC=C1InChI=1S/C3H3NO/c1-2-4-5-3-1/h1-3HInChIKey=CTAPFRYPJLPFDF-UHFFFAOYSA-N94.2Ex 71.15(BP est) -53.47(MP est) 95.00(BP exp) ----(MP exp) O1N=CC=C1 -53.5PredN
O1C=NC=C143069.063C3H3NOoxazoleN85O1C=NC=C1InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3HInChIKey=ZCQWOFVYLHDMMC-UHFFFAOYSA-N69.2Ex 71.15(BP est) -53.47(MP est) 69.50(BP exp) ----(MP exp) O1C=NC=C1 -53.5PredY(de Lacy Costello et al. 2014)
NC(C#C)=O43169.063C3H3NOpropiolamideN85NC(C#C)=OInChI=1S/C3H3NO/c1-2-3(4)5/h1H,(H2,4,5)InChIKey=HCJTYESURSHXNB-UHFFFAOYSA-N204.8Ex 204.84(BP est) 37.58(MP est) ----(BP exp) ----(MP exp) NC(C#C)=O 37.6PredN
N1N=CN=C143269.067C2H3N31H-1,2,4-triazoleN85N1N=CN=C1InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)InChIKey=NSPMIYGKQJPBQR-UHFFFAOYSA-N260.0Ex 189.63(BP est) 21.64(MP est) ----(BP exp) ----(MP exp) N1N=CN=C1 21.6PredN
N1N=CC=N143369.067C2H3N32H-1,2,3-triazoleN85N1N=CC=N1InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)InChIKey=QWENRTYMTSOGBR-UHFFFAOYSA-N204.0Ex 189.63(BP est) 21.64(MP est) 204.00(BP exp) 23.00(MP exp) N1N=CC=N1 23ExptN
N=1\N=N/CC=143469.067C2H3N34H-1,2,3-triazoleN85N=1\N=N/CC=1InChI=1S/C2H3N3/c1-2-4-5-3-1/h1H,2H2InChIKey=AEJARLYXNFRVLK-UHFFFAOYSA-N132.3Ex 132.27(BP est) -1.34(MP est) ----(BP exp) ----(MP exp) N=1\N=N/CC=1 -1.3PredN
[N-]=[N+]=NC=C43569.067C2H3N3azidoetheneN85[N-]=[N+]=NC=CInChI=1S/C2H3N3/c1-2-4-5-3/h2H,1H2InChIKey=UEQYFPCXXRUPKQ-UHFFFAOYSA-N338.6Ex 338.63(BP est) 119.78(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NC=C 119.8PredN
N#C\N=C\N43669.067C2H3N3N'-cyanoformimidamideN85N#C\N=C\NInChI=1S/C2H3N3/c3-1-5-2-4/h1H,(H2,3,5)InChIKey=UABPXJLZXHRTBQ-UHFFFAOYSA-N167.0Ex 166.98(BP est) -15.66(MP est) ----(BP exp) ----(MP exp) N#C\N=C\N -15.7PredN
C1C2(CC2)N143769.107C4H7N1-azaspiro[2.2]pentaneN125C1C2(CC2)N1InChI=1S/C4H7N/c1-2-4(1)3-5-4/h5H,1-3H2InChIKey=QQUFDFQHIUKUFP-UHFFFAOYSA-N87.0Ex 86.99(BP est) -14.31(MP est) ----(BP exp) ----(MP exp) C1C2(CC2)N1 -14.3PredN
CCC[N+]#[C-]43869.107C4H7N1-isocyanopropaneN125CCCN#CInChI=1S/C4H7N/c1-3-4-5-2/h3-4H2,1H3InChIKey=FFDKYFGBIQQMSR-UHFFFAOYSA-N99.0Ex -5.19(BP est) -124.96(MP est) ----(BP exp) ----(MP exp) CCCN#C -125PredN
C=C1N(C)C143969.107C4H7N1-methyl-2-methyleneaziridineN125C=C1N(C)C1InChI=1S/C4H7N/c1-4-3-5(4)2/h1,3H2,2H3InChIKey=WFNSDYPJGGQENT-UHFFFAOYSA-N55.8Ex 55.81(BP est) -55.69(MP est) ----(BP exp) ----(MP exp) C=C1N(C)C1 -55.7PredN
C=CN1CC144069.107C4H7N1-vinylaziridineN125C=CN1CC1InChI=1S/C4H7N/c1-2-5-3-4-5/h2H,1,3-4H2InChIKey=VZNJDNKFUXILTJ-UHFFFAOYSA-N60.3Ex 60.26(BP est) -62.11(MP est) ----(BP exp) ----(MP exp) C=CN1CC1 -62.1PredN
C\1=C\CCN/144169.107C4H7N2,3-dihydro-1H-pyrroleN125C\1=C\CCN/1InChI=1S/C4H7N/c1-2-4-5-3-1/h1,3,5H,2,4H2InChIKey=RSEBUVRVKCANEP-UHFFFAOYSA-N105.5Ex 105.45(BP est) -34.74(MP est) ----(BP exp) ----(MP exp) C\1=C\CCN/1 -34.7PredY(Gu et al. 2013)
CC(N1)=C1C44269.107C4H7N2,3-dimethyl-1H-azirineN125CC(N1)=C1CInChI=1S/C4H7N/c1-3-4(2)5-3/h5H,1-2H3InChIKey=ICPLWKFOEMZPPP-UHFFFAOYSA-N96.9Ex 96.93(BP est) -21.19(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1C -21.2PredN
N\1=C(/C)C/1C44369.107C4H7N2,3-dimethyl-2H-azirineN125N\1=C(/C)C/1CInChI=1S/C4H7N/c1-3-4(2)5-3/h3H,1-2H3InChIKey=HOYKXQHOQDFZIK-UHFFFAOYSA-N67.9Ex 67.91(BP est) -54.78(MP est) ----(BP exp) ----(MP exp) N\1=C(/C)C/1C -54.8PredN
N1CC=CC144469.107C4H7N2,5-dihydro-1H-pyrroleN125N1CC=CC1InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2InChIKey=JVQIKJMSUIMUDI-UHFFFAOYSA-N91.3Ex 105.45(BP est) -34.74(MP est) 90.50(BP exp) ----(MP exp) N1CC=CC1 -34.7PredN
C1C2CC1N244569.107C4H7N2-azabicyclo[1.1.1]pentaneN125C1C2CC1N2InChI=1S/C4H7N/c1-3-2-4(1)5-3/h3-5H,1-2H2InChIKey=CJSIJLXDRHEIAW-UHFFFAOYSA-N92.8Ex 92.79(BP est) -26.68(MP est) ----(BP exp) ----(MP exp) C1C2CC1N2 -26.7PredN
C12NCC1C244669.107C4H7N2-azabicyclo[2.1.0]pentaneN125C12NCC1C2InChI=1S/C4H7N/c1-3-2-5-4(1)3/h3-5H,1-2H2InChIKey=DAPJDNAXUNPBRZ-UHFFFAOYSA-N92.8Ex 92.79(BP est) -26.68(MP est) ----(BP exp) ----(MP exp) C12NCC1C2 -26.7PredN
CCC1=CN144769.107C4H7N2-ethyl-1H-azirineN125CCC1=CN1InChI=1S/C4H7N/c1-2-4-3-5-4/h3,5H,2H2,1H3InChIKey=KWRZGUBKXWJCEV-UHFFFAOYSA-N99.0Ex 99.00(BP est) -26.84(MP est) ----(BP exp) ----(MP exp) CCC1=CN1 -26.8PredN
CC([N+]#[C-])C44869.107C4H7N2-isocyanopropaneN125CC(N#C)CInChI=1S/C4H7N/c1-4(2)5-3/h4H,1-2H3InChIKey=MJZUMMKYWBNKIP-UHFFFAOYSA-N87.2Ex -22.05(BP est) -137.38(MP est) ----(BP exp) ----(MP exp) CC(N#C)C -137.4PredN
C=CC1CN144969.107C4H7N2-vinylaziridineN125C=CC1CN1InChI=1S/C4H7N/c1-2-4-3-5-4/h2,4-5H,1,3H2InChIKey=SQRSDAJKJORZLJ-UHFFFAOYSA-N89.1Ex 89.06(BP est) -39.38(MP est) ----(BP exp) ----(MP exp) C=CC1CN1 -39.4PredN
C1CC=NC145069.107C4H7N3,4-dihydro-2H-pyrroleN125C1CC=NC1InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2InChIKey=ZVJHJDDKYZXRJI-UHFFFAOYSA-N81.9Ex 81.86(BP est) -58.37(MP est) ----(BP exp) ----(MP exp) C1CC=NC1 -58.4PredY(Schulz and Dickschat 2007, DNP 2017)
C1(CC2)C2N145169.107C4H7N5-azabicyclo[2.1.0]pentaneN125C1(CC2)C2N1InChI=1S/C4H7N/c1-2-4-3(1)5-4/h3-5H,1-2H2InChIKey=LAUCBKBKBWCJIA-UHFFFAOYSA-N92.8Ex 92.79(BP est) -26.68(MP est) ----(BP exp) ----(MP exp) C1(CC2)C2N1 -26.7PredN
NCC#CC45269.107C4H7Nbut-2-yn-1-amineN125NCC#CCInChI=1S/C4H7N/c1-2-3-4-5/h4-5H2,1H3InChIKey=YLBIBZCIFHPPKA-UHFFFAOYSA-N105.2Ex 105.17(BP est) -0.61(MP est) ----(BP exp) ----(MP exp) NCC#CC -0.6PredN
NCCC#C45369.107C4H7Nbut-3-yn-1-amineN125NCCC#CInChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2InChIKey=XSBPYGDBXQXSCU-UHFFFAOYSA-N100.0Ex 96.22(BP est) -32.79(MP est) ----(BP exp) ----(MP exp) NCCC#C -32.8PredN
NC(C#C)C45469.107C4H7Nbut-3-yn-2-amineN125NC(C#C)CInChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3InChIKey=ZZRMYOZQUCUWFT-UHFFFAOYSA-N81.5Ex 81.48(BP est) -44.59(MP est) ----(BP exp) ----(MP exp) NC(C#C)C -44.6PredN
C=C/C=C/N45569.107C4H7Nbuta-1,3-dien-1-amineN125C=C/C=C/NInChI=1S/C4H7N/c1-2-3-4-5/h2-4H,1,5H2InChIKey=BUNYBPVXEKRSGY-UHFFFAOYSA-N93.4Ex 93.37(BP est) -60.52(MP est) ----(BP exp) ----(MP exp) C=C/C=C/N -60.5PredN
C=CC(=C)N45669.107C4H7Nbuta-1,3-dien-2-amineN125C=CC(=C)NInChI=1S/C4H7N/c1-3-4(2)5/h3H,1-2,5H2InChIKey=QDPZCZGPXSOSNN-UHFFFAOYSA-N77.3Ex 77.26(BP est) -70.55(MP est) ----(BP exp) ----(MP exp) C=CC(=C)N -70.6PredN
NCC=C=C45769.107C4H7Nbuta-2,3-dien-1-amineN125NCC=C=CInChI=1S/C4H7N/c1-2-3-4-5/h3H,1,4-5H2InChIKey=JCWPPNJQFKFPKA-UHFFFAOYSA-N87.8Ex 87.80(BP est) -56.35(MP est) ----(BP exp) ----(MP exp) NCC=C=C -56.4PredN
CCCC#N45869.107C4H7NbutyronitrileN125CCCC#NInChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3InChIKey=KVNRLNFWIYMESJ-UHFFFAOYSA-N134.7Ex 120.16(BP est) -58.41(MP est) 117.60(BP exp) -111.90(MP exp) CCCC#N -111.9ExptY(de Lacy Costello et al. 2014)
NC1CC=C145969.107C4H7Ncyclobut-2-en-1-amineN125NC1CC=C1InChI=1S/C4H7N/c5-4-2-1-3-4/h1-2,4H,3,5H2InChIKey=DWFCCOZUSUFWKW-UHFFFAOYSA-N97.2Ex 97.23(BP est) -48.38(MP est) ----(BP exp) ----(MP exp) NC1CC=C1 -48.4PredN
CC(C)C#N46069.107C4H7NisobutyronitrileN125CC(C)C#NInChI=1S/C4H7N/c1-4(2)3-5/h4H,1-2H3InChIKey=LRDFRRGEGBBSRN-UHFFFAOYSA-N104.6Ex 105.98(BP est) -70.05(MP est) 103.90(BP exp) -71.50(MP exp) CC(C)C#N -71.5ExptY(de Lacy Costello et al. 2014)
C#CN(C)C46169.107C4H7NN,N-dimethylethynamineN125C#CN(C)CInChI=1S/C4H7N/c1-4-5(2)3/h1H,2-3H3InChIKey=HYQBDADKUWXZFE-UHFFFAOYSA-N54.4Ex 54.35(BP est) -70.40(MP est) ----(BP exp) ----(MP exp) C#CN(C)C -70.4PredN
C=C=NCC46269.107C4H7NN-ethylethenimineN125C=C=NCCInChI=1S/C4H7N/c1-3-5-4-2/h1,4H2,2H3InChIKey=CQPIFDLDTFRUEN-UHFFFAOYSA-N49.7Ex 49.74(BP est) -107.82(MP est) ----(BP exp) ----(MP exp) C=C=NCC -107.8PredN
CN=C=CC46369.107C4H7NN-methylprop-1-en-1-imineN125CN=C=CCInChI=1S/C4H7N/c1-3-4-5-2/h3H,1-2H3InChIKey=JYDQHYJFDBFCPE-UHFFFAOYSA-N59.6Ex 59.57(BP est) -106.61(MP est) ----(BP exp) ----(MP exp) CN=C=CC -106.6PredN
CC#CNC46469.107C4H7NN-methylprop-1-yn-1-amineN125CC#CNCInChI=1S/C4H7N/c1-3-4-5-2/h5H,1-2H3InChIKey=ZCDJJOJOTMYFDP-UHFFFAOYSA-N86.3Ex 86.26(BP est) -21.43(MP est) ----(BP exp) ----(MP exp) CC#CNC -21.4PredN
CNCC#C46569.107C4H7NN-methylprop-2-yn-1-amineN125CNCC#CInChI=1S/C4H7N/c1-3-4-5-2/h1,5H,4H2,2H3InChIKey=HQFYIDOMCULPIW-UHFFFAOYSA-N83.0Ex 77.04(BP est) -53.68(MP est) 83.00(BP exp) ----(MP exp) CNCC#C -53.7PredN
B(C)(C)CC47369.942C4H11BethyldimethylboraneN165B(C)(C)CCInChI=1S/C4H11B/c1-4-5(2)3/h4H2,1-3H3InChIKey=QOROTCSPKMPOQB-UHFFFAOYSA-N18.2Ex 18.20(BP est) -126.36(MP est) ----(BP exp) ----(MP exp) B(C)(C)CC -126.4PredN
C(F)(F)(F)47570.0142CHF3fluoroformN54C(F)(F)(F)InChI=1S/CHF3/c2-1(3)4/h1HInChIKey=XPDWGBQVDMORPB-UHFFFAOYSA-N-82.6Ex -74.33(BP est) -171.21(MP est) -82.10(BP exp) -155.10(MP exp) C(F)(F)(F) -155.1ExptN
O=CC=C=O47770.047C3H2O23-oxoacrylaldehydeN75O=CC=C=OInChI=1S/C3H2O2/c4-2-1-3-5/h1-2HInChIKey=BJZRPPPHLTTXMO-UHFFFAOYSA-N57.0Ex 57.04(BP est) -82.76(MP est) ----(BP exp) ----(MP exp) O=CC=C=O -82.8PredN
OC(C#C)=O47870.047C3H2O2propiolic acidN75OC(C#C)=OInChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)InChIKey=UORVCLMRJXCDCP-UHFFFAOYSA-N144.0Ex 152.78(BP est) 16.76(MP est) ----(BP exp) 9.00(MP exp) OC(C#C)=O 9ExptY(Irwin et al. 2012)
O1C=NN=C147970.051C2H2N2O1,3,4-oxadiazoleN75O1C=NN=C1InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2HInChIKey=FKASFBLJDCHBNZ-UHFFFAOYSA-N150.0Ex 136.49(BP est) -4.26(MP est) ----(BP exp) ----(MP exp) O1C=NN=C1 -4.3PredN
O=CNC#N48070.051C2H2N2ON-cyanoformamideN75O=CNC#NInChI=1S/C2H2N2O/c3-1-4-2-5/h2H,(H,4,5)InChIKey=HWJRQTQRAADPIC-UHFFFAOYSA-N250.2Ex 250.24(BP est) 57.90(MP est) ----(BP exp) ----(MP exp) O=CNC#N 57.9PredN
N1N=NC=N148170.055CH2N42H-tetrazoleN75N1N=NC=N1InChI=1S/CH2N4/c1-2-4-5-3-1/h1H,(H,2,3,4,5)InChIKey=KJUGUADJHNHALS-UHFFFAOYSA-N199.1Ex 199.08(BP est) 34.70(MP est) ----(BP exp) 157.00(MP exp) N1N=NC=N1 157ExptN
N\1=N\N=N/C/148270.055CH2N45H-tetrazoleN75N\1=N\N=N/C/1InChI=1S/CH2N4/c1-2-4-5-3-1/h1H2InChIKey=DFRRALWXTFSAEC-UHFFFAOYSA-N130.7Ex 130.65(BP est) 4.64(MP est) ----(BP exp) ----(MP exp) N\1=N\N=N/C/1 4.6PredN
C(F)=C(C#C)48370.0664C4H3F1-fluorobut-1-en-3-yneN85C(F)=C(C#C)InChI=1S/C4H3F/c1-2-3-4-5/h1,3-4HInChIKey=JERPAPAVGDNCEX-UHFFFAOYSA-N39.7Ex 39.66(BP est) -93.17(MP est) ----(BP exp) ----(MP exp) C(F)=C(C#C) -93.2PredN
C=C(F)(C#C)48470.0664C4H3F2-fluorobut-1-en-3-yneN85C=C(F)(C#C)InChI=1S/C4H3F/c1-3-4(2)5/h1H,2H2InChIKey=FVFUHFDWCRYASN-UHFFFAOYSA-N22.3Ex 22.29(BP est) -103.56(MP est) ----(BP exp) ----(MP exp) C=C(F)(C#C) -103.6PredN
C=C(C#CF)48570.0664C4H3F4-fluorobut-1-en-3-yneN85C=C(C#CF)InChI=1S/C4H3F/c1-2-3-4-5/h2H,1H2InChIKey=GUWWROFPDWHXNA-UHFFFAOYSA-N39.4Ex 39.42(BP est) -62.02(MP est) ----(BP exp) ----(MP exp) C=C(C#CF) -62PredN
C=COC=C48670.091C4H6O(vinyloxy)etheneN115C=COC=CInChI=1S/C4H6O/c1-3-5-4-2/h3-4H,1-2H2InChIKey=QYKIQEUNHZKYBP-UHFFFAOYSA-N29.1Ex 43.13(BP est) -104.04(MP est) 28.30(BP exp) -101.00(MP exp) C=COC=C -101ExptN
CC#COC48770.091C4H6O1-methoxyprop-1-yneN115CC#COCInChI=1S/C4H6O/c1-3-4-5-2/h1-2H3InChIKey=QKBBSZTVZOCUAD-UHFFFAOYSA-N65.6Ex 65.57(BP est) -42.68(MP est) ----(BP exp) ----(MP exp) CC#COC -42.7PredN
COC=C=C48870.091C4H6O1-methoxypropa-1,2-dieneN115COC=C=CInChI=1S/C4H6O/c1-3-4-5-2/h4H,1H2,2H3InChIKey=RRWJXAJEGRDMQH-UHFFFAOYSA-N50.8Ex 47.14(BP est) -98.74(MP est) ----(BP exp) ----(MP exp) COC=C=C -98.7PredN
C1C2(CC2)O148970.091C4H6O1-oxaspiro[2.2]pentaneN115C1C2(CC2)O1InChI=1S/C4H6O/c1-2-4(1)3-5-4/h1-3H2InChIKey=KSOGAEPLTWOWJN-UHFFFAOYSA-N53.3Ex 53.27(BP est) -63.38(MP est) ----(BP exp) ----(MP exp) C1C2(CC2)O1 -63.4PredN
O1CCC=C149070.091C4H6O2,3-dihydrofuranN115O1CCC=C1InChI=1S/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H2InChIKey=JKTCBAGSMQIFNL-UHFFFAOYSA-N54.0Ex 72.65(BP est) -83.55(MP est) 54.50(BP exp) ----(MP exp) O1CCC=C1 -83.6PredY(de Lacy Costello et al. 2014)
CC(O1)=C1C49170.091C4H6O2,3-dimethyloxireneN115CC(O1)=C1CInChI=1S/C4H6O/c1-3-4(2)5-3/h1-2H3InChIKey=ZJGVHWMYANVZTE-UHFFFAOYSA-N63.7Ex 63.71(BP est) -70.12(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1C -70.1PredN
O1CC=CC149270.091C4H6O2,5-dihydrofuranN115O1CC=CC1InChI=1S/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2InChIKey=ARGCQEVBJHPOGB-UHFFFAOYSA-N65.3Ex 72.65(BP est) -83.55(MP est) 66.50(BP exp) ----(MP exp) O1CC=CC1 -83.6PredY(DNP 2017)
CCC1=CO149370.091C4H6O2-ethyloxireneN115CCC1=CO1InChI=1S/C4H6O/c1-2-4-3-5-4/h3H,2H2,1H3InChIKey=RBFXRPPCWNJHEI-UHFFFAOYSA-N65.9Ex 65.88(BP est) -75.74(MP est) ----(BP exp) ----(MP exp) CCC1=CO1 -75.7PredN
CC(C)=C=O49470.091C4H6O2-methylprop-1-en-1-oneN115CC(C)=C=OInChI=1S/C4H6O/c1-4(2)3-5/h1-2H3InChIKey=VDOKWPVSGXHSNP-UHFFFAOYSA-N92.4Ex 9.29(BP est) -119.05(MP est) ----(BP exp) ----(MP exp) CC(C)=C=O -119.1PredN
C=CC1CO149570.091C4H6O2-vinyloxiraneN115C=CC1CO1InChI=1S/C4H6O/c1-2-4-3-5-4/h2,4H,1,3H2InChIKey=GXBYFVGCMPJVJX-UHFFFAOYSA-N68.0Ex 55.44(BP est) -88.43(MP est) 68.00(BP exp) -135.00(MP exp) C=CC1CO1 -135ExptN
COCC#C49670.091C4H6O3-methoxyprop-1-yneN115COCC#CInChI=1S/C4H6O/c1-3-4-5-2/h1H,4H2,2H3InChIKey=YACFFSVYSPMSGS-UHFFFAOYSA-N61.2Ex 56.06(BP est) -75.02(MP est) 63.00(BP exp) ----(MP exp) COCC#C -75PredN
C1(CC2)C2O149770.091C4H6O5-oxabicyclo[2.1.0]pentaneN115C1(CC2)C2O1InChI=1S/C4H6O/c1-2-4-3(1)5-4/h3-4H,1-2H2InChIKey=BIMXFPIWUWKRHY-UHFFFAOYSA-N59.4Ex 59.36(BP est) -75.68(MP est) ----(BP exp) ----(MP exp) C1(CC2)C2O1 -75.7PredN
O=CC=CC49870.091C4H6Obut-2-enalN115O=CC=CCInChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3InChIKey=MLUCVPSAIODCQM-UHFFFAOYSA-N97.9Ex 92.35(BP est) -80.57(MP est) 104.00(BP exp) -76.50(MP exp) O=CC=CC -76.5ExptY(Cha and Cadwallader 1995, Irwin et al. 2012)
OCC#CC49970.091C4H6Obut-2-yn-1-olN115OCC#CCInChI=1S/C4H6O/c1-2-3-4-5/h5H,4H2,1H3InChIKey=NEEDEQSZOUAJMU-UHFFFAOYSA-N141.8Ex 130.69(BP est) -4.38(MP est) 148.00(BP exp) -2.20(MP exp) OCC#CC -2.2ExptN
C=CC(C)=O50070.091C4H6Obut-3-en-2-oneN115C=CC(C)=OInChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N81.2Ex 68.48(BP est) -81.91(MP est) 81.40(BP exp) ----(MP exp) C=CC(C)=O -81.9PredY(Fuentes et al. 1996, Irwin et al. 2012)
O=CCC=C50170.091C4H6Obut-3-enalN115O=CCC=CInChI=1S/C4H6O/c1-2-3-4-5/h2,4H,1,3H2InChIKey=IWJMQXOBCQTQCF-UHFFFAOYSA-N83.0Ex 82.98(BP est) -81.64(MP est) ----(BP exp) ----(MP exp) O=CCC=C -81.6PredY(de Lacy Costello et al. 2014)
OCCC#C50270.091C4H6Obut-3-yn-1-olN115OCCC#CInChI=1S/C4H6O/c1-2-3-4-5/h1,5H,3-4H2InChIKey=OTJZCIYGRUNXTP-UHFFFAOYSA-N128.9Ex 122.10(BP est) -36.45(MP est) 129.00(BP exp) -63.60(MP exp) OCCC#C -63.6ExptN
OC(C#C)C50370.091C4H6Obut-3-yn-2-olN115OC(C#C)CInChI=1S/C4H6O/c1-3-4(2)5/h1,4-5H,2H3InChIKey=GKPOMITUDGXOSB-UHFFFAOYSA-N108.6Ex 100.25(BP est) -50.33(MP est) 106.50(BP exp) -3.00(MP exp) OC(C#C)C -3ExptN
OCC=C=C50470.091C4H6Obuta-2,3-dien-1-olN115OCC=C=CInChI=1S/C4H6O/c1-2-3-4-5/h3,5H,1,4H2InChIKey=JXKCVRNKAPHWJG-UHFFFAOYSA-N127.0Ex 114.03(BP est) -59.92(MP est) ----(BP exp) ----(MP exp) OCC=C=C -59.9PredN
OC1CC=C150570.091C4H6Ocyclobut-2-en-1-olN115OC1CC=C1InChI=1S/C4H6O/c5-4-2-1-3-4/h1-2,4-5H,3H2InChIKey=VFOIXRFJKNUPPD-UHFFFAOYSA-N115.6Ex 115.55(BP est) -54.26(MP est) ----(BP exp) ----(MP exp) OC1CC=C1 -54.3PredN
O=C1CCC150670.091C4H6OcyclobutanoneN115O=C1CCC1InChI=1S/C4H6O/c5-4-2-1-3-4/h1-3H2InChIKey=SHQSVMDWKBRBGB-UHFFFAOYSA-N98.6Ex 105.10(BP est) -51.87(MP est) 99.00(BP exp) -50.90(MP exp) O=C1CCC1 -50.9ExptN
O=CC1CC150770.091C4H6OcyclopropanecarbaldehydeN115O=CC1CC1InChI=1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2InChIKey=JMYVMOUINOAAPA-UHFFFAOYSA-N99.5Ex 88.99(BP est) -70.04(MP est) ----(BP exp) ----(MP exp) O=CC1CC1 -70PredN
CCOC#C50870.091C4H6OethoxyethyneN115CCOC#CInChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3InChIKey=WMYNMYVRWWCRPS-UHFFFAOYSA-N51.7Ex 56.06(BP est) -75.02(MP est) 50.00(BP exp) ----(MP exp) CCOC#C -75PredN
O=CC(C)=C50970.091C4H6OmethacrylaldehydeN115O=CC(C)=CInChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3InChIKey=STNJBCKSHOAVAJ-UHFFFAOYSA-N68.1Ex 76.22(BP est) -90.60(MP est) 68.40(BP exp) -81.00(MP exp) O=CC(C)=C -81ExptY(DNP 2017)
N#CCNC51070.095C3H6N22-(methylamino)acetonitrileN115N#CCNCInChI=1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3InChIKey=PVVRRUUMHFWFQV-UHFFFAOYSA-N140.0Ex 140.04(BP est) -31.92(MP est) ----(BP exp) ----(MP exp) N#CCNC -31.9PredN
N1NC=CC151170.095C3H6N22,3-dihydro-1H-pyrazoleN115N1NC=CC1InChI=1S/C3H6N2/c1-2-4-5-3-1/h1-2,4-5H,3H2InChIKey=KEQTWHPMSVAFDA-UHFFFAOYSA-N142.7Ex 142.69(BP est) 23.01(MP est) ----(BP exp) ----(MP exp) N1NC=CC1 23PredN
NC(C#N)C51270.095C3H6N22-aminopropanenitrileN115NC(C#N)CInChI=1S/C3H6N2/c1-3(5)2-4/h3H,5H2,1H3InChIKey=UAMZETBJZRERCQ-UHFFFAOYSA-N144.1Ex 144.05(BP est) -22.94(MP est) ----(BP exp) ----(MP exp) NC(C#N)C -22.9PredN
N#CCCN51370.095C3H6N23-aminopropanenitrileN115N#CCCNInChI=1S/C3H6N2/c4-2-1-3-5/h1-2,4H2InChIKey=AGSPXMVUFBBBMO-UHFFFAOYSA-N185.0Ex 157.34(BP est) -11.57(MP est) 185.00(BP exp) 177.00(MP exp) N#CCCN 177ExptY(Wishart et al. 2013)
N1N=CCC151470.095C3H6N24,5-dihydro-1H-pyrazoleN115N1N=CCC1InChI=1S/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H2InChIKey=MCGBIXXDQFWVDW-UHFFFAOYSA-N144.0Ex 183.06(BP est) 18.05(MP est) 144.00(BP exp) ----(MP exp) N1N=CCC1 18.1PredN
[N@H]=C(C=C)N51570.095C3H6N2acrylimidamideN115[N@H]=C(C=C)NInChI=1S/C3H6N2/c1-2-3(4)5/h2H,1H2,(H3,4,5)InChIKey=AXPUQAAUHKSVKR-UHFFFAOYSA-N133.2Ex 133.24(BP est) -17.59(MP est) ----(BP exp) ----(MP exp) [N@H]=C(C=C)N -17.6PredY(DNP 2017)
N#CN(C)C51670.095C3H6N2N,N-dimethylcyanamideN115N#CN(C)CInChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3InChIKey=OAGOUCJGXNLJNL-UHFFFAOYSA-N160.8Ex 119.51(BP est) -48.01(MP est) 163.50(BP exp) ----(MP exp) N#CN(C)C -48PredY(de Lacy Costello et al. 2014)
NNCC#C51770.095C3H6N2prop-2-yn-1-ylhydrazineN115NNCC#CInChI=1S/C3H6N2/c1-2-3-5-4/h1,5H,3-4H2InChIKey=CYCYZHMUOSKYBG-UHFFFAOYSA-N116.9Ex 116.89(BP est) -6.06(MP est) ----(BP exp) ----(MP exp) NNCC#C -6.1PredN
CC1(CC1)C51870.135C5H101,1-dimethylcyclopropaneN155CC1(CC1)CInChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3InChIKey=PBIJFSCPEFQXBB-UHFFFAOYSA-N20.4Ex 36.66(BP est) -88.73(MP est) 20.60(BP exp) -109.00(MP exp) CC1(CC1)C -109ExptN
CC1CC1C51970.135C5H101,2-dimethylcyclopropaneN155CC1CC1CInChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3InChIKey=VKJLDXGFBJBTRQ-UHFFFAOYSA-N32.6Ex 42.89(BP est) -100.98(MP est) 28.20(BP exp) -149.60(MP exp) CC1CC1C -149.6ExptN
C=C(CC)C52070.135C5H102-methylbut-1-eneN155C=C(CC)CInChI=1S/C5H10/c1-4-5(2)3/h2,4H2,1,3H3InChIKey=MHNNAWXXUZQSNM-UHFFFAOYSA-N31.0Ex 36.92(BP est) -117.44(MP est) 31.20(BP exp) -137.50(MP exp) C=C(CC)C -137.5ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
CC=C(C)C52170.135C5H102-methylbut-2-eneN155CC=C(C)CInChI=1S/C5H10/c1-4-5(2)3/h4H,1-3H3InChIKey=BKOOMYPCSUNDGP-UHFFFAOYSA-N38.3Ex 46.92(BP est) -116.18(MP est) 38.50(BP exp) -133.70(MP exp) CC=C(C)C -133.7ExptY(Romoli et al. 2011, Irwin et al. 2012, DNP 2017)
CC(C=C)C52270.135C5H103-methylbut-1-eneN155CC(C=C)CInChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3InChIKey=YHQXBTXEYZIYOV-UHFFFAOYSA-N20.1Ex 28.20(BP est) -120.50(MP est) 20.10(BP exp) -168.50(MP exp) CC(C=C)C -168.5ExptY(de Lacy Costello et al. 2014)
C1CCCC152370.135C5H10cyclopentaneN155C1CCCC1InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2InChIKey=RGSFGYAAUTVSQA-UHFFFAOYSA-N49.2Ex 62.53(BP est) -94.53(MP est) 49.30(BP exp) -93.80(MP exp) C1CCCC1 -93.8ExptY(Fuentes et al. 1996)
CCC1CC152470.135C5H10ethylcyclopropaneN155CCC1CC1InChI=1S/C5H10/c1-2-5-3-4-5/h5H,2-4H2,1H3InChIKey=FOTXAJDDGPYIFU-UHFFFAOYSA-N36.1Ex 50.41(BP est) -96.67(MP est) 35.90(BP exp) -149.20(MP exp) CCC1CC1 -149.2ExptN
CC1CCC152570.135C5H10methylcyclobutaneN155CC1CCC1InChI=1S/C5H10/c1-5-3-2-4-5/h5H,2-4H2,1H3InChIKey=BDJAEZRIGNCQBZ-UHFFFAOYSA-N30.3Ex 52.78(BP est) -97.74(MP est) 36.30(BP exp) -161.50(MP exp) CC1CCC1 -161.5ExptN
CCCC=C52670.135C5H10pent-1-eneN155CCCC=CInChI=1S/C5H10/c1-3-5-4-2/h3H,1,4-5H2,2H3InChIKey=YWAKXRMUMFPDSH-UHFFFAOYSA-N30.6Ex 44.06(BP est) -108.37(MP est) 35.00(BP exp) -180.00(MP exp) CCCC=C -180ExptY(Fuentes et al. 1996)
CC=CCC52770.135C5H10pent-2-eneN155CC=CCCInChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3InChIKey=QMMOXUPEWRXHJS-UHFFFAOYSA-N36.5Ex 53.97(BP est) -107.14(MP est) 36.30(BP exp) -140.20(MP exp) CC=CCC -140.2ExptY(Griffin et al. 2010, Gu et al. 2013, de Lacy Costello et al. 2014)
B(C)(C)CN53070.93C3H10BN(dimethylboraneyl)methanamineN155B(C)(C)CNInChI=1S/C3H10BN/c1-4(2)3-5/h3,5H2,1-2H3InChIKey=YSYFYKVMTRUJFA-UHFFFAOYSA-N61.4Ex 61.44(BP est) -77.74(MP est) ----(BP exp) ----(MP exp) B(C)(C)CN -77.7PredN
CB(C)NC53270.93C3H10BNN,1,1-trimethylboranamineN155CB(C)NCInChI=1S/C3H10BN/c1-4(2)5-3/h5H,1-3H3InChIKey=BORTXUKGEOWSPS-UHFFFAOYSA-N41.3Ex 41.27(BP est) -98.93(MP est) ----(BP exp) ----(MP exp) CB(C)NC -98.9PredN
[N-]=[N+]=NC=O53471.039CHN3Oformyl azideN65[N-]=[N+]=NC=OInChI=1S/CHN3O/c2-4-3-1-5/h1HInChIKey=XJRPXNWUCVZVJP-UHFFFAOYSA-N371.0Ex 370.95(BP est) 152.32(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NC=O 152.3PredN
N1CC=CO153671.079C3H5NO2,3-dihydroisoxazoleN105N1CC=CO1InChI=1S/C3H5NO/c1-2-4-5-3-1/h1,3-4H,2H2InChIKey=FJRPOHLDJUJARI-UHFFFAOYSA-N111.9Ex 111.85(BP est) -25.22(MP est) ----(BP exp) ----(MP exp) N1CC=CO1 -25.2PredN
N1COC=C153771.079C3H5NO2,3-dihydrooxazoleN105N1COC=C1InChI=1S/C3H5NO/c1-2-5-3-4-1/h1-2,4H,3H2InChIKey=ZABMHLDQFJHDSC-UHFFFAOYSA-N111.9Ex 111.85(BP est) -25.22(MP est) ----(BP exp) ----(MP exp) N1COC=C1 -25.2PredN
N1C=CCO153871.079C3H5NO2,5-dihydroisoxazoleN105N1C=CCO1InChI=1S/C3H5NO/c1-2-4-5-3-1/h1-2,4H,3H2InChIKey=OFJBYLCQNJHFMI-UHFFFAOYSA-N111.9Ex 111.85(BP est) -25.22(MP est) ----(BP exp) ----(MP exp) N1C=CCO1 -25.2PredN
OC(C)C#N53971.079C3H5NO2-hydroxypropanenitrileN105OC(C)C#NInChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3InChIKey=WOFDVDFSGLBFAC-UHFFFAOYSA-N183.1Ex 160.96(BP est) -29.23(MP est) 183.00(BP exp) -40.00(MP exp) OC(C)C#N -40ExptN
N#CCOC54071.079C3H5NO2-methoxyacetonitrileN105N#CCOCInChI=1S/C3H5NO/c1-5-3-2-4/h3H2,1H3InChIKey=QKPVEISEHYYHRH-UHFFFAOYSA-N118.8Ex 121.06(BP est) -52.67(MP est) 119.00(BP exp) ----(MP exp) N#CCOC -52.7PredN
N/C=C\C=O54171.079C3H5NO3-aminoacrylaldehydeN105N/C=C\C=OInChI=1S/C3H5NO/c4-2-1-3-5/h1-3H,4H2InChIKey=UCRYVFBKCBUURB-UHFFFAOYSA-N131.3Ex 131.27(BP est) -33.21(MP est) ----(BP exp) ----(MP exp) N/C=C\C=O -33.2PredN
OCCC#N54271.079C3H5NO3-hydroxypropanenitrileN105OCCC#NInChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2InChIKey=WSGYTJNNHPZFKR-UHFFFAOYSA-N222.8Ex 180.59(BP est) -16.00(MP est) 221.00(BP exp) -46.00(MP exp) OCCC#N -46ExptN
C=CC(N)=O54371.079C3H5NOacrylamideN105C=CC(N)=OInChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)InChIKey=HRPVXLWXLXDGHG-UHFFFAOYSA-N216.4Ex 196.38(BP est) 21.69(MP est) 192.60(BP exp) 84.50(MP exp) C=CC(N)=O 84.5ExptY(DNP 2017)
ON1CC=C154471.079C3H5NOazet-1(2H)-olN105ON1CC=C1InChI=1S/C3H5NO/c5-4-2-1-3-4/h1-2,5H,3H2InChIKey=IONIUMNVJVKXPM-UHFFFAOYSA-N211.7Ex 211.73(BP est) 11.38(MP est) ----(BP exp) ----(MP exp) ON1CC=C1 11.4PredN
O=C1CCN154571.079C3H5NOazetidin-2-oneN105O=C1CCN1InChI=1S/C3H5NO/c5-3-1-2-4-3/h1-2H2,(H,4,5)InChIKey=MNFORVFSTILPAW-UHFFFAOYSA-N216.0Ex 216.01(BP est) 35.56(MP est) ----(BP exp) ----(MP exp) O=C1CCN1 35.6PredN
O=C1CNC154671.079C3H5NOazetidin-3-oneN105O=C1CNC1InChI=1S/C3H5NO/c5-3-1-4-2-3/h4H,1-2H2InChIKey=XPRVSYXHPUYSGF-UHFFFAOYSA-N142.4Ex 142.36(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) O=C1CNC1 5.9PredN
CCN=C=O54771.079C3H5NOisocyanatoethaneN105CCN=C=OInChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3InChIKey=WUDNUHPRLBTKOJ-UHFFFAOYSA-N60.0Ex 67.39(BP est) -64.47(MP est) 60.00(BP exp) ----(MP exp) CCN=C=O -64.5PredY(de Lacy Costello et al. 2014)
C#CCNO54871.079C3H5NON-(prop-2-yn-1-yl)hydroxylamineN105C#CCNOInChI=1S/C3H5NO/c1-2-3-4-5/h1,4-5H,3H2InChIKey=GXELRIQNUPNXJU-UHFFFAOYSA-N158.1Ex 158.14(BP est) -5.23(MP est) ----(BP exp) ----(MP exp) C#CCNO -5.2PredN
O=CNC=C55171.079C3H5NON-vinylformamideN105O=CNC=CInChI=1S/C3H5NO/c1-2-4-3-5/h2-3H,1H2,(H,4,5)InChIKey=ZQXSMRAEXCEDJD-UHFFFAOYSA-N210.0Ex 191.96(BP est) 18.51(MP est) ----(BP exp) ----(MP exp) O=CNC=C 18.5PredN
NOCC#C55271.079C3H5NOO-(prop-2-yn-1-yl)hydroxylamineN105NOCC#CInChI=1S/C3H5NO/c1-2-3-5-4/h1H,3-4H2InChIKey=CFLXYLWBJMISBG-UHFFFAOYSA-N97.2Ex 97.15(BP est) -27.03(MP est) ----(BP exp) ----(MP exp) NOCC#C -27PredN
CN=C=NN55471.083C2H5N31-hydrazineylidene-N-methylmethanimineN105CN=C=NNInChI=1S/C2H5N3/c1-4-2-5-3/h3H2,1H3InChIKey=AEKBRBKECLXYAC-UHFFFAOYSA-N103.8Ex 103.79(BP est) -62.08(MP est) ----(BP exp) ----(MP exp) CN=C=NN -62.1PredN
N#CN(N)C55571.083C2H5N31-methylhydrazine-1-carbonitrileN105N#CN(N)CInChI=1S/C2H5N3/c1-5(4)2-3/h4H2,1H3InChIKey=SUHBXOBWBHTFMC-UHFFFAOYSA-N156.7Ex 156.73(BP est) -1.14(MP est) ----(BP exp) ----(MP exp) N#CN(N)C -1.1PredN
N\1=C\NNC/155771.083C2H5N32,3-dihydro-1H-1,2,4-triazoleN105N\1=C\NNC/1InChI=1S/C2H5N3/c1-3-2-5-4-1/h1,5H,2H2,(H,3,4)InChIKey=JRLFRFTXXMZSND-UHFFFAOYSA-N269.0Ex 269.00(BP est) 66.72(MP est) ----(BP exp) ----(MP exp) N\1=C\NNC/1 66.7PredN
C1CN=NN155871.083C2H5N34,5-dihydro-1H-1,2,3-triazoleN105C1CN=NN1InChI=1S/C2H5N3/c1-2-4-5-3-1/h1-2H2,(H,3,4)InChIKey=GBLQGXFTPLQBTA-UHFFFAOYSA-N196.1Ex 196.11(BP est) 26.42(MP est) ----(BP exp) ----(MP exp) C1CN=NN1 26.4PredN
[N-]=[N+]=NCC55971.083C2H5N3azidoethaneN105[N-]=[N+]=NCCInChI=1S/C2H5N3/c1-2-4-5-3/h2H2,1H3InChIKey=UCSVJZQSZZAKLD-UHFFFAOYSA-N49.0Ex 339.53(BP est) 120.56(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NCC 120.6PredN
N#CNCN56071.083C2H5N3N-(aminomethyl)cyanamideN105N#CNCNInChI=1S/C2H5N3/c3-1-5-2-4/h5H,1,3H2InChIKey=OURJZUCJZGOCPT-UHFFFAOYSA-N175.9Ex 175.92(BP est) 14.55(MP est) ----(BP exp) ----(MP exp) N#CNCN 14.6PredN
N(\N=C\N)=C56171.083C2H5N3N'-methyleneformohydrazonamideN105N(\N=C\N)=CInChI=1S/C2H5N3/c1-4-5-2-3/h2H,1H2,(H2,3,5)InChIKey=XZQPONMJEZGAPO-UHFFFAOYSA-N100.1Ex 100.09(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) N(\N=C\N)=C -67.3PredN
CCN1CC156271.123C4H9N1-ethylaziridineN145CCN1CC1InChI=1S/C4H9N/c1-2-5-3-4-5/h2-4H2,1H3InChIKey=UJGVUACWGCQEAO-UHFFFAOYSA-N69.3Ex 62.17(BP est) -60.68(MP est) ----(BP exp) ----(MP exp) CCN1CC1 -60.7PredN
NC1(CC1)C56371.123C4H9N1-methylcyclopropan-1-amineN145NC1(CC1)CInChI=1S/C4H9N/c1-4(5)2-3-4/h2-3,5H2,1H3InChIKey=VSRXAWSAKJABKW-UHFFFAOYSA-N59.0Ex 78.87(BP est) -40.42(MP est) ----(BP exp) ----(MP exp) NC1(CC1)C -40.4PredN
CC1(C)CN156471.123C4H9N2,2-dimethylaziridineN145CC1(C)CN1InChI=1S/C4H9N/c1-4(2)3-5-4/h5H,3H2,1-2H3InChIKey=FGRJGEWVJCCOJJ-UHFFFAOYSA-N71.2Ex 77.90(BP est) -29.81(MP est) ----(BP exp) ----(MP exp) CC1(C)CN1 -29.8PredN
CC1C(C)N156571.123C4H9N2,3-dimethylaziridineN145CC1C(C)N1InChI=1S/C4H9N/c1-3-4(2)5-3/h3-5H,1-2H3InChIKey=DNPSMEGHIHDFAJ-UHFFFAOYSA-N83.8Ex 83.79(BP est) -42.16(MP est) ----(BP exp) ----(MP exp) CC1C(C)N1 -42.2PredN
CCC1CN156671.123C4H9N2-ethylaziridineN145CCC1CN1InChI=1S/C4H9N/c1-2-4-3-5-4/h4-5H,2-3H2,1H3InChIKey=CSWPOLMVXVBCSV-UHFFFAOYSA-N89.5Ex 90.89(BP est) -37.97(MP est) ----(BP exp) ----(MP exp) CCC1CN1 -38PredN
CC1NCC156771.123C4H9N2-methylazetidineN145CC1NCC1InChI=1S/C4H9N/c1-4-2-3-5-4/h4-5H,2-3H2,1H3InChIKey=DLBWPRNUXWYLRN-UHFFFAOYSA-N93.1Ex 93.12(BP est) -39.08(MP est) ----(BP exp) ----(MP exp) CC1NCC1 -39.1PredN
NC1C(C)C156871.123C4H9N2-methylcyclopropan-1-amineN145NC1C(C)C1InChI=1S/C4H9N/c1-3-2-4(3)5/h3-4H,2,5H2,1H3InChIKey=PYTANBUURZFYHD-UHFFFAOYSA-N84.7Ex 84.74(BP est) -52.77(MP est) ----(BP exp) ----(MP exp) NC1C(C)C1 -52.8PredN
NCC(C)=C56971.123C4H9N2-methylprop-2-en-1-amineN145NCC(C)=CInChI=1S/C4H9N/c1-4(2)3-5/h1,3,5H2,2H3InChIKey=VXDHQYLFEYUMFY-UHFFFAOYSA-N78.0Ex 79.11(BP est) -69.12(MP est) ----(BP exp) ----(MP exp) NCC(C)=C -69.1PredN
CC1CNC157071.123C4H9N3-methylazetidineN145CC1CNC1InChI=1S/C4H9N/c1-4-2-5-3-4/h4-5H,2-3H2,1H3InChIKey=HTHMVKNHGOVITA-UHFFFAOYSA-N93.1Ex 93.12(BP est) -39.08(MP est) ----(BP exp) ----(MP exp) CC1CNC1 -39.1PredN
NCCC=C57171.123C4H9Nbut-3-en-1-amineN145NCCC=CInChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2InChIKey=ASVKKRLMJCWVQF-UHFFFAOYSA-N85.9Ex 85.85(BP est) -60.18(MP est) ----(BP exp) ----(MP exp) NCCC=C -60.2PredN
NC(C=C)C57271.123C4H9Nbut-3-en-2-amineN145NC(C=C)CInChI=1S/C4H9N/c1-3-4(2)5/h3-4H,1,5H2,2H3InChIKey=JDCBWJCUHSVVMN-UHFFFAOYSA-N61.4Ex 70.88(BP est) -72.05(MP est) ----(BP exp) ----(MP exp) NC(C=C)C -72.1PredN
NC1CCC157371.123C4H9NcyclobutanamineN145NC1CCC1InChI=1S/C4H9N/c5-4-2-1-3-4/h4H,1-3,5H2InChIKey=KZZKOVLJUKWSKX-UHFFFAOYSA-N81.5Ex 94.06(BP est) -49.69(MP est) 82.00(BP exp) ----(MP exp) NC1CCC1 -49.7PredY(de Lacy Costello et al. 2014)
NCC1CC157471.123C4H9NcyclopropylmethanamineN145NCC1CC1InChI=1S/C4H9N/c5-3-4-1-2-4/h4H,1-3,5H2InChIKey=IGSKHXTUVXSOMB-UHFFFAOYSA-N91.8Ex 91.83(BP est) -48.58(MP est) ----(BP exp) ----(MP exp) NCC1CC1 -48.6PredN
CNC1CC157571.123C4H9NN-methylcyclopropanamineN145CNC1CC1InChI=1S/C4H9N/c1-5-4-2-3-4/h4-5H,2-3H2,1H3InChIKey=VEBLEROFGPOMPB-UHFFFAOYSA-N72.5Ex 72.53(BP est) -69.52(MP est) ----(BP exp) ----(MP exp) CNC1CC1 -69.5PredN
CNCC=C57671.123C4H9NN-methylprop-2-en-1-amineN145CNCC=CInChI=1S/C4H9N/c1-3-4-5-2/h3,5H,1,4H2,2H3InChIKey=IOXXVNYDGIXMIP-UHFFFAOYSA-N63.9Ex 66.37(BP est) -81.16(MP est) 65.00(BP exp) ----(MP exp) CNCC=C -81.2PredN
C1CCCN157771.123C4H9NpyrrolidineN145C1CCCN1InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2InChIKey=RWRDLPDLKQPQOW-UHFFFAOYSA-N86.6Ex 102.31(BP est) -36.04(MP est) 86.50(BP exp) -57.80(MP exp) C1CCCN1 -57.8ExptY(Irwin et al. 2012, DNP 2017)
OCB(C)C58271.914C3H9BO(dimethylboraneyl)methanolN145OCB(C)CInChI=1S/C3H9BO/c1-4(2)3-5/h5H,3H2,1-2H3InChIKey=VYDANENCCVDQOK-UHFFFAOYSA-N88.7Ex 88.71(BP est) -81.00(MP est) ----(BP exp) ----(MP exp) OCB(C)C -81PredN
O(B(C)C)C58471.914C3H9BOmethoxydimethylboraneN145O(B(C)C)CInChI=1S/C3H9BO/c1-4(2)5-3/h1-3H3InChIKey=BEQHHTPEGVHORR-UHFFFAOYSA-N19.2Ex 19.24(BP est) -120.58(MP est) ----(BP exp) ----(MP exp) O(B(C)C)C -120.6PredN
O=PC#C58672.0028C2HOPethynyl(oxo)phosphaneN54O=PC#CInChI=1S/C2HOP/c1-2-4-3/h1HInChIKey=UMODFQRVMPZGIZ-UHFFFAOYSA-N93.0Ex 93.03(BP est) -53.43(MP est) ----(BP exp) ----(MP exp) O=PC#C -53.4PredN
C(=O)C#C(F)58772.0384C3HFO3-fluoropropiolaldehydeN65C(=O)C#C(F)InChI=1S/C3HFO/c4-2-1-3-5/h3HInChIKey=FFJDESIYXBXVFH-UHFFFAOYSA-N80.4Ex 80.43(BP est) -33.80(MP est) ----(BP exp) ----(MP exp) C(=O)C#C(F) -33.8PredN
P1C=CC158872.0468C3H5P1,2-dihydrophospheteN94P1C=CC1InChI=1S/C3H5P/c1-2-4-3-1/h1-2,4H,3H2InChIKey=UJPZNVXMZCSJLL-UHFFFAOYSA-N52.9Ex 52.86(BP est) -97.22(MP est) ----(BP exp) ----(MP exp) P1C=CC1 -97.2PredN
CPC#C58972.0468C3H5Pethynyl(methyl)phosphaneN94CPC#CInChI=1S/C3H5P/c1-3-4-2/h1,4H,2H3InChIKey=XRAXLJJAJSVXBT-UHFFFAOYSA-N46.7Ex 46.65(BP est) -87.02(MP est) ----(BP exp) ----(MP exp) CPC#C -87PredN
C#CCP59072.0468C3H5Pprop-2-yn-1-ylphosphaneN94C#CCPInChI=1S/C3H5P/c1-2-3-4/h1H,3-4H2InChIKey=MWHVZVFUKFSZMB-UHFFFAOYSA-N68.6Ex 68.62(BP est) -72.42(MP est) ----(BP exp) ----(MP exp) C#CCP -72.4PredN
C(=C)=CP59172.0468C3H5Ppropa-1,2-dien-1-ylphosphaneN94C(=C)=CPInChI=1S/C3H5P/c1-2-3-4/h3H,1,4H2InChIKey=WWPYBNWNNHQNDJ-UHFFFAOYSA-N49.6Ex 49.56(BP est) -110.15(MP est) ----(BP exp) ----(MP exp) C(=C)=CP -110.2PredN
CC(C=O)=O59272.063C3H4O22-oxopropanalN95CC(C=O)=OInChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3InChIKey=AIJULSRZWUXGPQ-UHFFFAOYSA-N72.8Ex 107.85(BP est) -54.17(MP est) 72.00(BP exp) ----(MP exp) CC(C=O)=O -54.2PredY(Fox and Wallace. 1997, Wishart et al. 2013, de Lacy Costello et al. 2014)
OC(C=C)=O59372.063C3H4O2acrylic acidN95OC(C=C)=OInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)InChIKey=NIXOWILDQLNWCW-UHFFFAOYSA-N140.7Ex 143.35(BP est) -10.35(MP est) 141.20(BP exp) 13.50(MP exp) OC(C=C)=O 13.5ExptY(Wishart et al. 2013, de Lacy Costello et al. 2014)
O=CCC=O59472.063C3H4O2malonaldehydeN95O=CCC=OInChI=1S/C3H4O2/c4-2-1-3-5/h2-3H,1H2InChIKey=WSMYVTOQOOLQHP-UHFFFAOYSA-N121.5Ex 121.51(BP est) -54.15(MP est) ----(BP exp) 72.00(MP exp) O=CCC=O 72ExptY(de Lacy Costello et al. 2014)
O=C1CCO159572.063C3H4O2oxetan-2-oneN95O=C1CCO1InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2InChIKey=VEZXCJBBBCKRPI-UHFFFAOYSA-N159.3Ex 153.54(BP est) -52.78(MP est) 162.00(BP exp) -33.40(MP exp) O=C1CCO1 -33.4ExptY(Cheng et al. 2010)
O=C1COC159672.063C3H4O2oxetan-3-oneN95O=C1COC1InChI=1S/C3H4O2/c4-3-1-5-2-3/h1-2H2InChIKey=ROADCYAOHVSOLQ-UHFFFAOYSA-N111.5Ex 111.50(BP est) -42.35(MP est) ----(BP exp) ----(MP exp) O=C1COC1 -42.4PredN
O=CC1OC159772.063C3H4O2oxirane-2-carbaldehydeN95O=CC1OC1InChI=1S/C3H4O2/c4-1-3-2-5-3/h1,3H,2H2InChIKey=IWYRWIUNAVNFPE-UHFFFAOYSA-N112.5Ex 95.56(BP est) -60.47(MP est) 112.50(BP exp) -62.00(MP exp) O=CC1OC1 -62ExptN
O=COC=C59872.063C3H4O2vinyl formateN95O=COC=CInChI=1S/C3H4O2/c1-2-5-3-4/h2-3H,1H2InChIKey=GFJVXXWOPWLRNU-UHFFFAOYSA-N47.0Ex 53.07(BP est) -87.66(MP est) ----(BP exp) ----(MP exp) O=COC=C -87.7PredN
ONCC#N59972.067C2H4N2O2-(hydroxyamino)acetonitrileN95ONCC#NInChI=1S/C2H4N2O/c3-1-2-4-5/h4-5H,2H2InChIKey=ZFEALYQDYUPIGS-UHFFFAOYSA-N212.8Ex 212.76(BP est) 14.09(MP est) ----(BP exp) ----(MP exp) ONCC#N 14.1PredN
C1N\N=N/N160072.071CH4N44,5-dihydro-1H-tetrazoleN95C1N\N=N/N1InChI=1S/CH4N4/c1-2-4-5-3-1/h1H2,(H,2,5)(H,3,4)InChIKey=PZJFUNZDCRKXPZ-UHFFFAOYSA-N227.3Ex 227.33(BP est) 63.53(MP est) ----(BP exp) ----(MP exp) C1N\N=N/N1 63.5PredN
C(F)=C(C1)(C1)60172.0824C4H5F(fluoromethylene)cyclopropaneN105C(F)=C(C1)(C1)InChI=1S/C4H5F/c5-3-4-1-2-4/h3H,1-2H2InChIKey=HFRDQHNVKVBOHX-UHFFFAOYSA-N38.0Ex 37.95(BP est) -98.35(MP est) ----(BP exp) ----(MP exp) C(F)=C(C1)(C1) -98.4PredN
FCC1=CC160272.0824C4H5F1-(fluoromethyl)cycloprop-1-eneN105FCC1=CC1InChI=1S/C4H5F/c5-3-4-1-2-4/h1H,2-3H2InChIKey=UDGNIPOHQHITKN-UHFFFAOYSA-N35.6Ex 35.63(BP est) -97.56(MP est) ----(BP exp) ----(MP exp) FCC1=CC1 -97.6PredN
FC(C1)=C1C60372.0824C4H5F1-fluoro-2-methylcycloprop-1-eneN105FC(C1)=C1CInChI=1S/C4H5F/c1-3-2-4(3)5/h2H2,1H3InChIKey=LPKMHTBASVVQDG-UHFFFAOYSA-N33.4Ex 33.36(BP est) -91.97(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1C -92PredN
C=C(C1)(C1F)60472.0824C4H5F1-fluoro-2-methylenecyclopropaneN105C=C(C1)(C1F)InChI=1S/C4H5F/c1-3-2-4(3)5/h4H,1-2H2InChIKey=OTTGHXUYGRDJAF-UHFFFAOYSA-N20.1Ex 20.09(BP est) -104.02(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C1F) -104PredN
FC1=CC1C60572.0824C4H5F1-fluoro-3-methylcycloprop-1-eneN105FC1=CC1CInChI=1S/C4H5F/c1-3-2-4(3)5/h2-3H,1H3InChIKey=OWJYLBRLNBGPKX-UHFFFAOYSA-N28.0Ex 27.96(BP est) -101.92(MP est) ----(BP exp) ----(MP exp) FC1=CC1C -101.9PredN
C(CC#CF)60672.0824C4H5F1-fluorobut-1-yneN105C(CC#CF)InChI=1S/C4H5F/c1-2-3-4-5/h2H2,1H3InChIKey=ZFPFWIVAJLCVOG-UHFFFAOYSA-N41.4Ex 41.37(BP est) -60.57(MP est) ----(BP exp) ----(MP exp) C(CC#CF) -60.6PredN
C(C)#C(CF)60772.0824C4H5F1-fluorobut-2-yneN105C(C)#C(CF)InChI=1S/C4H5F/c1-2-3-4-5/h4H2,1H3InChIKey=IGHFHTRBISWTOK-UHFFFAOYSA-N41.4Ex 41.37(BP est) -60.57(MP est) ----(BP exp) ----(MP exp) C(C)#C(CF) -60.6PredN
C=C(C=CF)60872.0824C4H5F1-fluorobuta-1,3-dieneN105C=C(C=CF)InChI=1S/C4H5F/c1-2-3-4-5/h2-4H,1H2InChIKey=IGPWAITWXGQPMD-UHFFFAOYSA-N28.4Ex 28.43(BP est) -120.82(MP est) ----(BP exp) ----(MP exp) C=C(C=CF) -120.8PredN
C(C1)(C=C1F)60972.0824C4H5F1-fluorocyclobut-1-eneN105C(C1)(C=C1F)InChI=1S/C4H5F/c5-4-2-1-3-4/h2H,1,3H2InChIKey=RLMMCBZQTSRCHJ-UHFFFAOYSA-N38.0Ex 38.04(BP est) -98.62(MP est) ----(BP exp) ----(MP exp) C(C1)(C=C1F) -98.6PredN
C=C(C(F)=C)61072.0824C4H5F2-fluorobuta-1,3-dieneN105C=C(C(F)=C)InChI=1S/C4H5F/c1-3-4(2)5/h3H,1-2H2InChIKey=BQHQZFUAEAVJRE-UHFFFAOYSA-N11.9Ex 10.81(BP est) -131.28(MP est) 12.00(BP exp) ----(MP exp) C=C(C(F)=C) -131.3PredN
FCC1C=C161172.0824C4H5F3-(fluoromethyl)cycloprop-1-eneN105FCC1C=C1InChI=1S/C4H5F/c5-3-4-1-2-4/h1-2,4H,3H2InChIKey=QMOPIAHYIZVEBQ-UHFFFAOYSA-N30.2Ex 30.24(BP est) -107.52(MP est) ----(BP exp) ----(MP exp) FCC1C=C1 -107.5PredN
CC1=CC1F61272.0824C4H5F3-fluoro-1-methylcycloprop-1-eneN105CC1=CC1FInChI=1S/C4H5F/c1-3-2-4(3)5/h2,4H,1H3InChIKey=WMZXUUWZRKPLIQ-UHFFFAOYSA-N28.0Ex 27.96(BP est) -101.92(MP est) ----(BP exp) ----(MP exp) CC1=CC1F -101.9PredN
FC1(C)C=C161372.0824C4H5F3-fluoro-3-methylcycloprop-1-eneN105FC1(C)C=C1InChI=1S/C4H5F/c1-4(5)2-3-4/h2-3H,1H3InChIKey=ILQMIQIQRPIROW-UHFFFAOYSA-N16.1Ex 16.12(BP est) -99.69(MP est) ----(BP exp) ----(MP exp) FC1(C)C=C1 -99.7PredN
C(C(F)C#C)61472.0824C4H5F3-fluorobut-1-yneN105C(C(F)C#C)InChI=1S/C4H5F/c1-3-4(2)5/h1,4H,2H3InChIKey=HKTPSDLWBRPMQC-UHFFFAOYSA-N15.4Ex 15.43(BP est) -105.21(MP est) ----(BP exp) ----(MP exp) C(C(F)C#C) -105.2PredN
C(C1F)(C=C1)61572.0824C4H5F3-fluorocyclobut-1-eneN105C(C1F)(C=C1)InChI=1S/C4H5F/c5-4-2-1-3-4/h1-2,4H,3H2InChIKey=XYJLZSYYXVMYRV-UHFFFAOYSA-N32.7Ex 32.67(BP est) -108.57(MP est) ----(BP exp) ----(MP exp) C(C1F)(C=C1) -108.6PredN
C(F)(CC#C)61672.0824C4H5F4-fluorobut-1-yneN105C(F)(CC#C)InChI=1S/C4H5F/c1-2-3-4-5/h1H,3-4H2InChIKey=CQFCDAVYXPMTRE-UHFFFAOYSA-N31.6Ex 31.55(BP est) -93.00(MP est) ----(BP exp) ----(MP exp) C(F)(CC#C) -93PredN
COC=CC61772.107C4H8O1-methoxyprop-1-eneN135COC=CCInChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3InChIKey=QHMVQKOXILNZQR-UHFFFAOYSA-N48.4Ex 54.96(BP est) -101.37(MP est) ----(BP exp) ----(MP exp) COC=CC -101.4PredN
OC1(CC1)C61872.107C4H8O1-methylcyclopropan-1-olN135OC1(CC1)CInChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3InChIKey=NCTCZGRRDXIGIY-UHFFFAOYSA-N86.3Ex 86.34(BP est) -49.45(MP est) ----(BP exp) ----(MP exp) OC1(CC1)C -49.5PredN
CC1(C)CO161972.107C4H8O2,2-dimethyloxiraneN135CC1(C)CO1InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3InChIKey=GELKGHVAFRCJNA-UHFFFAOYSA-N51.0Ex 43.73(BP est) -79.02(MP est) 52.00(BP exp) ----(MP exp) CC1(C)CO1 -79PredY(Wishart et al. 2013)
CC1C(C)O162072.107C4H8O2,3-dimethyloxiraneN135CC1C(C)O1InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3InChIKey=PQXKWPLDPFFDJP-UHFFFAOYSA-N56.5Ex 49.90(BP est) -91.29(MP est) 56.50(BP exp) -85.00(MP exp) CC1C(C)O1 -85ExptN
CCC1CO162172.107C4H8O2-ethyloxiraneN135CCC1CO1InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3InChIKey=RBACIKXCRWGCBB-UHFFFAOYSA-N62.8Ex 57.35(BP est) -86.99(MP est) 63.30(BP exp) -150.00(MP exp) CCC1CO1 -150ExptY(Duque et al. 2001, Schomburg et al. 2002, Peter et al. 2013)
COC(C)=C62272.107C4H8O2-methoxyprop-1-eneN135COC(C)=CInChI=1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3InChIKey=YOWQWFMSQCOSBA-UHFFFAOYSA-N32.5Ex 37.94(BP est) -111.66(MP est) 35.00(BP exp) ----(MP exp) COC(C)=C -111.7PredN
CC1OCC162372.107C4H8O2-methyloxetaneN135CC1OCC1InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3InChIKey=FZIIBDOXPQOKBP-UHFFFAOYSA-N60.0Ex 59.70(BP est) -88.07(MP est) 59.00(BP exp) ----(MP exp) CC1OCC1 -88.1PredN
C=C(C)CO62472.107C4H8O2-methylprop-2-en-1-olN135C=C(C)COInChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3InChIKey=BYDRTKVGBRTTIT-UHFFFAOYSA-N113.5Ex 105.69(BP est) -72.59(MP est) ----(BP exp) ----(MP exp) C=C(C)CO -72.6PredN
COCC=C62572.107C4H8O3-methoxyprop-1-eneN135COCC=CInChI=1S/C4H8O/c1-3-4-5-2/h3H,1,4H2,2H3InChIKey=FASUFOTUSHAIHG-UHFFFAOYSA-N42.9Ex 45.07(BP est) -102.60(MP est) 44.00(BP exp) ----(MP exp) COCC=C -102.6PredN
CC1COC162672.107C4H8O3-methyloxetaneN135CC1COC1InChI=1S/C4H8O/c1-4-2-5-3-4/h4H,2-3H2,1H3InChIKey=VJQHJNIGWOABDZ-UHFFFAOYSA-N59.7Ex 59.70(BP est) -88.07(MP est) ----(BP exp) ----(MP exp) CC1COC1 -88.1PredN
C/C=C\CO62972.107C4H8Obut-2-en-1-olN135C/C=C\COInChI=1S/C4H8O/c1-2-3-4-5/h2-3,5H,4H2,1H3InChIKey=WCASXYBKJHWFMY-UHFFFAOYSA-N121.8Ex 121.10(BP est) -62.76(MP est) 123.00(BP exp) ----(MP exp) C/C=C\CO -62.8PredY(Wishart et al. 2013, de Lacy Costello et al. 2014)
OCCC=C63172.107C4H8Obut-3-en-1-olN135OCCC=CInChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2InChIKey=ZSPTYLOMNJNZNG-UHFFFAOYSA-N113.5Ex 112.15(BP est) -63.72(MP est) 113.50(BP exp) ----(MP exp) OCCC=C -63.7PredY(Wishart et al. 2013)
OC(C=C)C63272.107C4H8Obut-3-en-2-olN135OC(C=C)CInChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3InChIKey=MKUWVMRNQOOSAT-UHFFFAOYSA-N101.5Ex 89.94(BP est) -77.70(MP est) 96.00(BP exp) ----(MP exp) OC(C=C)C -77.7PredY(Sun et al. 2012)
CC(CC)=O63372.107C4H8Obutan-2-oneN135CC(CC)=OInChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3InChIKey=ZWEHNKRNPOVVGH-UHFFFAOYSA-N79.3Ex 70.36(BP est) -80.48(MP est) 79.50(BP exp) -86.60(MP exp) CC(CC)=O -86.6ExptY(Diaz et al. 2002, Papaleo et al. 2013, DNP 2017)
O=CCCC63472.107C4H8ObutyraldehydeN135O=CCCCInChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3InChIKey=ZTQSAGDEMFDKMZ-UHFFFAOYSA-N74.7Ex 84.82(BP est) -80.23(MP est) 74.80(BP exp) -99.00(MP exp) O=CCCC -99ExptY(Cha and Cadwallader 1995, Ouzouni et al. 2009, Irwin et al. 2012, DNP 2017)
OC1CCC163572.107C4H8OcyclobutanolN135OC1CCC1InChI=1S/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2InChIKey=KTHXBEHDVMTNOH-UHFFFAOYSA-N123.8Ex 112.46(BP est) -55.54(MP est) 124.00(BP exp) ----(MP exp) OC1CCC1 -55.5PredN
OCC1CC163672.107C4H8OcyclopropylmethanolN135OCC1CC1InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2InChIKey=GUDMZGLFZNLYEY-UHFFFAOYSA-N117.9Ex 117.89(BP est) -52.19(MP est) ----(BP exp) ----(MP exp) OCC1CC1 -52.2PredN
CCOC=C63772.107C4H8OethoxyetheneN135CCOC=CInChI=1S/C4H8O/c1-3-5-4-2/h3H,1,4H2,2H3InChIKey=FJKIXWOMBXYWOQ-UHFFFAOYSA-N35.1Ex 45.07(BP est) -102.60(MP est) 35.50(BP exp) -115.80(MP exp) CCOC=C -115.8ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
O=CC(C)C63872.107C4H8OisobutyraldehydeN135O=CC(C)CInChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N64.2Ex 69.83(BP est) -92.10(MP est) 64.50(BP exp) -65.90(MP exp) O=CC(C)C -65.9ExptY(O Toole 1997, Feng et al. 2007, Irwin et al. 2012)
COC1CC163972.107C4H8OmethoxycyclopropaneN135COC1CC1InChI=1S/C4H8O/c1-5-4-2-3-4/h4H,2-3H2,1H3InChIKey=ZUVAACFIEPYYOP-UHFFFAOYSA-N44.8Ex 51.42(BP est) -90.90(MP est) 44.70(BP exp) -119.00(MP exp) COC1CC1 -119ExptN
C(C1)OC(C1)64072.107C4H8OtetrahydrofuranN135C(C1)OC(C1)InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2InChIKey=WYURNTSHIVDZCO-UHFFFAOYSA-N65.1Ex 69.36(BP est) -84.89(MP est) 65.00(BP exp) -108.30(MP exp) C(C1)OC(C1) -108.3ExptY(Fox and Wallace. 1997)
C=NN(C)C64172.111C3H8N21,1-dimethyl-2-methylenehydrazineN135C=NN(C)CInChI=1S/C3H8N2/c1-4-5(2)3/h1H2,2-3H3InChIKey=NDNVSJIXYFNRDR-UHFFFAOYSA-N71.0Ex 46.95(BP est) -101.29(MP est) ----(BP exp) ----(MP exp) C=NN(C)C -101.3PredN
N1(N(C)C1)C64272.111C3H8N21,2-dimethyldiaziridineN135N1(N(C)C1)CInChI=1S/C3H8N2/c1-4-3-5(4)2/h3H2,1-2H3InChIKey=HHUSPFWAFUDXFF-UHFFFAOYSA-N48.5Ex 66.44(BP est) -28.99(MP est) ----(BP exp) ----(MP exp) N1(N(C)C1)C -29PredN
CCN=NC64372.111C3H8N21-ethyl-2-methyldiazeneN135CCN=NCInChI=1S/C3H8N2/c1-3-5-4-2/h3H2,1-2H3InChIKey=NRRFJODUDVGTJM-UHFFFAOYSA-N28.5Ex 39.76(BP est) -120.02(MP est) ----(BP exp) ----(MP exp) CCN=NC -120PredN
CN1CCN164472.111C3H8N21-methyl-1,2-diazetidineN135CN1CCN1InChI=1S/C3H8N2/c1-5-3-2-4-5/h4H,2-3H2,1H3InChIKey=KBPLELGTRLXFAS-UHFFFAOYSA-N104.2Ex 104.16(BP est) -3.30(MP est) ----(BP exp) ----(MP exp) CN1CCN1 -3.3PredN
NN1C(C)C164572.111C3H8N22-methylaziridin-1-amineN135NN1C(C)C1InChI=1S/C3H8N2/c1-3-2-5(3)4/h3H,2,4H2,1H3InChIKey=JLLBNBCZQAIKNL-UHFFFAOYSA-N100.5Ex 95.93(BP est) -16.95(MP est) ----(BP exp) ----(MP exp) NN1C(C)C1 -17PredN
NNCC=C64672.111C3H8N2allylhydrazineN135NNCC=CInChI=1S/C3H8N2/c1-2-3-5-4/h2,5H,1,3-4H2InChIKey=ZTILHLWDFSMCLZ-UHFFFAOYSA-N106.9Ex 106.85(BP est) -33.35(MP est) ----(BP exp) ----(MP exp) NNCC=C -33.4PredN
NN1CCC164772.111C3H8N2azetidin-1-amineN135NN1CCC1InChI=1S/C3H8N2/c4-5-2-1-3-5/h1-4H2InChIKey=BDIIXJCOXLQTKD-UHFFFAOYSA-N105.1Ex 105.09(BP est) -13.91(MP est) ----(BP exp) ----(MP exp) NN1CCC1 -13.9PredN
NC1CNC164872.111C3H8N2azetidin-3-amineN135NC1CNC1InChI=1S/C3H8N2/c4-3-1-5-2-3/h3,5H,1-2,4H2InChIKey=FDPKMJDUXJFKOI-UHFFFAOYSA-N138.5Ex 131.99(BP est) 8.26(MP est) ----(BP exp) ----(MP exp) NC1CNC1 8.3PredN
C1C(N1)CN64972.111C3H8N2aziridin-2-ylmethanamineN135C1C(N1)CNInChI=1S/C3H8N2/c4-1-3-2-5-3/h3,5H,1-2,4H2InChIKey=AEXCVBXGIHNPIK-UHFFFAOYSA-N129.9Ex 129.90(BP est) 9.41(MP est) ----(BP exp) ----(MP exp) C1C(N1)CN 9.4PredN
NC1C(N)C165072.111C3H8N2cyclopropane-1,2-diamineN135NC1C(N)C1InChI=1S/C3H8N2/c4-2-1-3(2)5/h2-3H,1,4-5H2InChIKey=DQSBSLFFVASXRY-UHFFFAOYSA-N124.1Ex 124.12(BP est) -5.28(MP est) ----(BP exp) ----(MP exp) NC1C(N)C1 -5.3PredN
NNC1CC165172.111C3H8N2cyclopropylhydrazineN135NNC1CC1InChI=1S/C3H8N2/c4-5-3-1-2-3/h3,5H,1-2,4H2InChIKey=GPSINNCBFURFNQ-UHFFFAOYSA-N112.7Ex 112.65(BP est) -21.81(MP est) ----(BP exp) ----(MP exp) NNC1CC1 -21.8PredN
N1CNCC165272.111C3H8N2imidazolidineN135N1CNCC1InChI=1S/C3H8N2/c1-2-5-3-4-1/h4-5H,1-3H2InChIKey=WRYCSMQKUKOKBP-UHFFFAOYSA-N139.8Ex 139.75(BP est) 21.77(MP est) ----(BP exp) ----(MP exp) N1CNCC1 21.8PredN
N(=C/NC)\C65372.111C3H8N2N,N'-dimethylformimidamideN135N(=C/NC)\CInChI=1S/C3H8N2/c1-4-3-5-2/h3H,1-2H3,(H,4,5)InChIKey=CRMWDHWPEFVLOU-UHFFFAOYSA-N79.4Ex 79.43(BP est) -83.38(MP est) ----(BP exp) ----(MP exp) N(=C/NC)\C -83.4PredN
C/C(=N/C)/N65472.111C3H8N2N'-methylacetimidamideN135C/C(=N/C)/NInChI=1S/C3H8N2/c1-3(4)5-2/h1-2H3,(H2,4,5)InChIKey=NKQBQVNKUQULLD-UHFFFAOYSA-N91.9Ex 91.93(BP est) -71.41(MP est) ----(BP exp) ----(MP exp) C/C(=N/C)/N -71.4PredN
NC(N)=CC65572.111C3H8N2prop-1-ene-1,1-diamineN135NC(N)=CCInChI=1S/C3H8N2/c1-2-3(4)5/h2H,4-5H2,1H3InChIKey=UIVBYQGBSFLFCW-UHFFFAOYSA-N127.7Ex 127.69(BP est) -20.61(MP est) ----(BP exp) ----(MP exp) NC(N)=CC -20.6PredN
NC=C(N)C65672.111C3H8N2prop-1-ene-1,2-diamineN135NC=C(N)CInChI=1S/C3H8N2/c1-3(5)2-4/h2H,4-5H2,1H3InChIKey=FDMXADMEKAUMIV-UHFFFAOYSA-N127.7Ex 127.69(BP est) -20.61(MP est) ----(BP exp) ----(MP exp) NC=C(N)C -20.6PredN
N1NCCC165772.111C3H8N2pyrazolidineN135N1NCCC1InChI=1S/C3H8N2/c1-2-4-5-3-1/h4-5H,1-3H2InChIKey=USPWKWBDZOARPV-UHFFFAOYSA-N138.0Ex 139.75(BP est) 21.77(MP est) ----(BP exp) ----(MP exp) N1NCCC1 21.8PredN
C=C1CS165872.125C3H4S2-methylenethiiraneN84C=C1CS1InChI=1S/C3H4S/c1-3-2-4-3/h1-2H2InChIKey=BTOWYENYYXRZMV-UHFFFAOYSA-N70.7Ex 70.74(BP est) -54.32(MP est) ----(BP exp) ----(MP exp) C=C1CS1 -54.3PredN
CC1=CS165972.125C3H4S2-methylthiireneN84CC1=CS1InChI=1S/C3H4S/c1-3-2-4-3/h2H,1H3InChIKey=OYYZMQAQFAVMNK-UHFFFAOYSA-N78.1Ex 78.09(BP est) -52.37(MP est) ----(BP exp) ----(MP exp) CC1=CS1 -52.4PredN
C#CSC66072.125C3H4Sethynyl(methyl)sulfaneN84C#CSCInChI=1S/C3H4S/c1-3-4-2/h1H,2H3InChIKey=UKRQTFFXHDKAMD-UHFFFAOYSA-N70.0Ex 76.96(BP est) -68.47(MP est) ----(BP exp) ----(MP exp) C#CSC -68.5PredN
SCC#C66172.125C3H4Sprop-2-yne-1-thiolN84SCC#CInChI=1S/C3H4S/c1-2-3-4/h1,4H,3H2InChIKey=BHLUERUPCAAQGF-UHFFFAOYSA-N91.7Ex 91.72(BP est) -63.13(MP est) ----(BP exp) ----(MP exp) SCC#C -63.1PredN
CC(CC)C66272.151C5H12isopentaneN175CC(CC)CInChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3InChIKey=QWTDNUCVQCZILF-UHFFFAOYSA-N27.6Ex 30.18(BP est) -119.04(MP est) 27.80(BP exp) -159.90(MP exp) CC(CC)C -159.9ExptY(Fuentes et al. 1996)
CC(C)(C)C66372.151C5H12neopentaneN175CC(C)(C)CInChI=1S/C5H12/c1-5(2,3)4/h1-4H3InChIKey=CRSOQBOWXPBRES-UHFFFAOYSA-N9.2Ex 19.60(BP est) -113.42(MP est) 9.50(BP exp) -16.40(MP exp) CC(C)(C)C -16.4ExptN
CCCCC66472.151C5H12pentaneN175CCCCCInChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3InChIKey=OFBQJSOFQDEBGM-UHFFFAOYSA-N36.0Ex 46.01(BP est) -106.92(MP est) 36.00(BP exp) -129.70(MP exp) CCCCC -129.7ExptY(Fuentes et al. 1996, Feng et al. 2007, DNP 2017)
O=NCC=O66573.051C2H3NO22-nitrosoacetaldehydeN85O=NCC=OInChI=1S/C2H3NO2/c4-2-1-3-5/h2H,1H2InChIKey=QGTBELGTVSVJPQ-UHFFFAOYSA-N69.1Ex 69.12(BP est) -40.40(MP est) ----(BP exp) ----(MP exp) O=NCC=O -40.4PredN
O=[N+](C=C)[O-]66673.051C2H3NO2nitroetheneN85O=[N+](C=C)[O-]InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2InChIKey=RPMXALUWKZHYOV-UHFFFAOYSA-N98.5Ex 89.46(BP est) -40.22(MP est) 98.50(BP exp) -55.50(MP exp) O=[N+](C=C)[O-] -55.5ExptN
NC(F)(C#C)66773.0704C3H4FN1-fluoroprop-2-yn-1-amineN95NC(F)(C#C)InChI=1S/C3H4FN/c1-2-3(4)5/h1,3H,5H2InChIKey=JIMMPCAEABHFTF-UHFFFAOYSA-N58.8Ex 58.82(BP est) -56.54(MP est) ----(BP exp) ----(MP exp) NC(F)(C#C) -56.5PredN
FCC1=CN166873.0704C3H4FN2-(fluoromethyl)-1H-azirineN95FCC1=CN1InChI=1S/C3H4FN/c4-1-3-2-5-3/h2,5H,1H2InChIKey=WXHLHDSDGJZLOG-UHFFFAOYSA-N76.9Ex 76.93(BP est) -38.63(MP est) ----(BP exp) ----(MP exp) FCC1=CN1 -38.6PredN
FC(N1)=C1C66973.0704C3H4FN2-fluoro-3-methyl-1H-azirineN95FC(N1)=C1CInChI=1S/C3H4FN/c1-2-3(4)5-2/h5H,1H3InChIKey=VMFKKLRSPPJSPD-UHFFFAOYSA-N74.8Ex 74.79(BP est) -32.99(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1C -33PredN
NC(C#CF)67073.0704C3H4FN3-fluoroprop-2-yn-1-amineN95NC(C#CF)InChI=1S/C3H4FN/c4-2-1-3-5/h3,5H2InChIKey=CNKILUXOEAJEPZ-UHFFFAOYSA-N83.3Ex 83.31(BP est) -12.33(MP est) ----(BP exp) ----(MP exp) NC(C#CF) -12.3PredN
NCC(C)=O67373.095C3H7NO1-aminopropan-2-oneN125NCC(C)=OInChI=1S/C3H7NO/c1-3(5)2-4/h2,4H2,1H3InChIKey=BCDGQXUMWHRQCB-UHFFFAOYSA-N110.6Ex 110.61(BP est) -32.74(MP est) ----(BP exp) ----(MP exp) NCC(C)=O -32.7PredY(Irwin et al. 2012, ExPaSy 2015)
CON1CC167473.095C3H7NO1-methoxyaziridineN125CON1CC1InChI=1S/C3H7NO/c1-5-4-2-3-4/h2-3H2,1H3InChIKey=HBOHBZIKXOAJCJ-UHFFFAOYSA-N63.2Ex 63.15(BP est) -54.91(MP est) ----(BP exp) ----(MP exp) CON1CC1 -54.9PredN
NC(OC)=C67573.095C3H7NO1-methoxyethen-1-amineN125NC(OC)=CInChI=1S/C3H7NO/c1-3(4)5-2/h1,4H2,2H3InChIKey=SNKZOVJZKMCXJU-UHFFFAOYSA-N80.1Ex 80.07(BP est) -63.36(MP est) ----(BP exp) ----(MP exp) NC(OC)=C -63.4PredN
O=NCCC67673.095C3H7NO1-nitrosopropaneN125O=NCCCInChI=1S/C3H7NO/c1-2-3-4-5/h2-3H2,1H3InChIKey=DAGJBILJINSVOD-UHFFFAOYSA-N29.4Ex 29.43(BP est) -67.35(MP est) ----(BP exp) ----(MP exp) O=NCCC -67.4PredN
CN1CCO167773.095C3H7NO2-methyl-1,2-oxazetidineN125CN1CCO1InChI=1S/C3H7NO/c1-4-2-3-5-4/h2-3H2,1H3InChIKey=YXLQXVSMQNWQLD-UHFFFAOYSA-N71.3Ex 71.30(BP est) -52.12(MP est) ----(BP exp) ----(MP exp) CN1CCO1 -52.1PredN
O=NC(C)C67873.095C3H7NO2-nitrosopropaneN125O=NC(C)CInChI=1S/C3H7NO/c1-3(2)4-5/h3H,1-2H3InChIKey=NDEOFSCLJFPNSR-UHFFFAOYSA-N13.3Ex 13.26(BP est) -79.57(MP est) ----(BP exp) ----(MP exp) O=NC(C)C -79.6PredN
ON1CCC167973.095C3H7NOazetidin-1-olN125ON1CCC1InChI=1S/C3H7NO/c5-4-2-1-3-4/h5H,1-3H2InChIKey=ZQQSYPZAPHRXRY-UHFFFAOYSA-N209.2Ex 209.18(BP est) 10.26(MP est) ----(BP exp) ----(MP exp) ON1CCC1 10.3PredN
OC1CNC168073.095C3H7NOazetidin-3-olN125OC1CNC1InChI=1S/C3H7NO/c5-3-1-4-2-3/h3-5H,1-2H2InChIKey=GMWFCJXSQQHBPI-UHFFFAOYSA-N149.3Ex 149.27(BP est) 2.09(MP est) ----(BP exp) ----(MP exp) OC1CNC1 2.1PredN
N1CCCO168173.095C3H7NOisoxazolidineN125N1CCCO1InChI=1S/C3H7NO/c1-2-4-5-3-1/h4H,1-3H2InChIKey=CIISBYKBBMFLEZ-UHFFFAOYSA-N108.8Ex 108.75(BP est) -26.51(MP est) ----(BP exp) ----(MP exp) N1CCCO1 -26.5PredN
O=CN(C)C68273.095C3H7NON,N-dimethylformamideN125O=CN(C)CInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3InChIKey=ZMXDDKWLCZADIW-UHFFFAOYSA-N151.5Ex 117.42(BP est) -31.98(MP est) 153.00(BP exp) -60.40(MP exp) O=CN(C)C -60.4ExptY(Rose et al. 2000, Wishart et al. 2013, de Lacy Costello et al. 2014)
C=CCNO68373.095C3H7NON-allylhydroxylamineN125C=CCNOInChI=1S/C3H7NO/c1-2-3-4-5/h2,4-5H,1,3H2InChIKey=LMWHOJSLACFBSG-UHFFFAOYSA-N148.8Ex 148.80(BP est) -32.32(MP est) ----(BP exp) ----(MP exp) C=CCNO -32.3PredN
O=CNCC68473.095C3H7NON-ethylformamideN125O=CNCCInChI=1S/C3H7NO/c1-2-4-3-5/h3H,2H2,1H3,(H,4,5)InChIKey=KERBAAIBDHEFDD-UHFFFAOYSA-N198.0Ex 193.47(BP est) 19.61(MP est) 198.00(BP exp) ----(MP exp) O=CNCC 19.6PredN
CC(NC)=O68573.095C3H7NON-methylacetamideN125CC(NC)=OInChI=1S/C3H7NO/c1-3(5)4-2/h1-2H3,(H,4,5)InChIKey=OHLUUHNLEMFGTQ-UHFFFAOYSA-N205.6Ex 191.60(BP est) 20.19(MP est) 205.00(BP exp) 28.00(MP exp) CC(NC)=O 28ExptY(de Lacy Costello et al. 2014)
CN(O)C=C68673.095C3H7NON-methyl-N-vinylhydroxylamineN125CN(O)C=CInChI=1S/C3H7NO/c1-3-4(2)5/h3,5H,1H2,2H3InChIKey=QMACLRFDPCWCET-UHFFFAOYSA-N198.6Ex 198.63(BP est) -4.79(MP est) ----(BP exp) ----(MP exp) CN(O)C=C -4.8PredN
CNOC=C68773.095C3H7NON-methyl-O-vinylhydroxylamineN125CNOC=CInChI=1S/C3H7NO/c1-3-5-4-2/h3-4H,1H2,2H3InChIKey=WBUZDEDFZVIOJB-UHFFFAOYSA-N67.4Ex 67.35(BP est) -75.40(MP est) ----(BP exp) ----(MP exp) CNOC=C -75.4PredN
NOCC=C68873.095C3H7NOO-allylhydroxylamineN125NOCC=CInChI=1S/C3H7NO/c1-2-3-5-4/h2H,1,3-4H2InChIKey=KPTCZURLWZSRKB-UHFFFAOYSA-N86.8Ex 86.80(BP est) -54.42(MP est) ----(BP exp) ----(MP exp) NOCC=C -54.4PredN
C=CNOC68973.095C3H7NOO-methyl-N-vinylhydroxylamineN125C=CNOCInChI=1S/C3H7NO/c1-3-4-5-2/h3-4H,1H2,2H3InChIKey=LCLVIEUIGCMJNK-UHFFFAOYSA-N67.4Ex 67.35(BP est) -75.40(MP est) ----(BP exp) ----(MP exp) C=CNOC -75.4PredN
NC1COC169073.095C3H7NOoxetan-3-amineN125NC1COC1InChI=1S/C3H7NO/c4-3-1-5-2-3/h3H,1-2,4H2InChIKey=OJEOJUQOECNDND-UHFFFAOYSA-N100.6Ex 100.57(BP est) -40.14(MP est) ----(BP exp) ----(MP exp) NC1COC1 -40.1PredN
C/C(C)=N/O69173.095C3H7NOpropan-2-one oximeN125C/C(C)=N/OInChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3InChIKey=PXAJQJMDEXJWFB-UHFFFAOYSA-N134.9Ex 134.91(BP est) -70.08(MP est) 136.00(BP exp) 61.00(MP exp) C/C(C)=N/O 61ExptY(Gu et al. 2013)
CCC(N)=O69273.095C3H7NOpropionamideN125CCC(N)=OInChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)InChIKey=QLNJFJADRCOGBJ-UHFFFAOYSA-N222.2Ex 197.87(BP est) 22.78(MP est) 213.00(BP exp) 81.30(MP exp) CCC(N)=O 81.3ExptY(de Lacy Costello et al. 2014)
CNC(N)=N69373.099C2H7N31-methylguanidineN125CNC(N)=NInChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)InChIKey=CHJJGSNFBQVOTG-UHFFFAOYSA-N154.3Ex 154.31(BP est) 10.14(MP est) ----(BP exp) ----(MP exp) CNC(N)=N 10.1PredY(Wishart et al. 2013)
NC(N)=CN69473.099C2H7N3ethene-1,1,2-triamineN125NC(N)=CNInChI=1S/C2H7N3/c3-1-2(4)5/h1H,3-5H2InChIKey=ONLXKBSUDZKPQU-UHFFFAOYSA-N164.4Ex 164.38(BP est) 26.10(MP est) ----(BP exp) ----(MP exp) NC(N)=CN 26.1PredN
N#CCS69573.113C2H3NS2-mercaptoacetonitrileN74N#CCSInChI=1S/C2H3NS/c3-1-2-4/h4H,2H2InChIKey=SUBFDLZTGLXJHJ-UHFFFAOYSA-N153.3Ex 153.29(BP est) -41.78(MP est) ----(BP exp) ----(MP exp) N#CCS -41.8PredN
CN=C=S69673.113C2H3NSisothiocyanatomethaneN74CN=C=SInChI=1S/C2H3NS/c1-3-2-4/h1H3InChIKey=LGDSHSYDSCRFAB-UHFFFAOYSA-N118.5Ex 90.58(BP est) -63.26(MP est) 119.00(BP exp) 36.00(MP exp) CN=C=S 36ExptY(Duque et al. 2001, DNP 2017)
CSC#N69773.113C2H3NSthiocyanatomethaneN74CSC#NInChI=1S/C2H3NS/c1-4-2-3/h1H3InChIKey=VYHVQEYOFIYNJP-UHFFFAOYSA-N132.6Ex 139.97(BP est) -46.70(MP est) 132.90(BP exp) -5.00(MP exp) CSC#N -5ExptY(Zoghbi et al. 2002, Cho et al. 2008, Graham 2013)
NCC(C)C69873.139C4H11N2-methylpropan-1-amineN165NCC(C)CInChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3InChIKey=KDSNLYIMUZNERS-UHFFFAOYSA-N67.6Ex 72.75(BP est) -70.62(MP est) 68.50(BP exp) -85.00(MP exp) NCC(C)C -85ExptY(Schulz and Dickschat 2007, DNP 2017)
NC(C)(C)C69973.139C4H11N2-methylpropan-2-amineN165NC(C)(C)CInChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3InChIKey=YBRBMKDOPFTVDT-UHFFFAOYSA-N44.5Ex 62.76(BP est) -64.83(MP est) 45.00(BP exp) -72.65(MP exp) NC(C)(C)C -72.7ExptY((Howard 1989))
NCCCC70073.139C4H11Nbutan-1-amineN165NCCCCInChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N77.1Ex 87.68(BP est) -58.76(MP est) 78.00(BP exp) -50.00(MP exp) NCCCC -50ExptY(Herrmann and Jüttner 1977)
NC(CC)C70173.139C4H11Nbutan-2-amineN165NC(CC)CInChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3InChIKey=BHRZNVHARXXAHW-UHFFFAOYSA-N63.2Ex 72.75(BP est) -70.62(MP est) 63.00(BP exp) -104.00(MP exp) NC(CC)C -104ExptY(The Good Scents Company)
CCNCC70273.139C4H11NdiethylamineN165CCNCCInChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3InChIKey=HPNMFZURTQLUMO-UHFFFAOYSA-N55.3Ex 68.26(BP est) -79.73(MP est) 55.50(BP exp) -50.00(MP exp) CCNCC -50ExptY(The Good Scents Company , Wishart et al. 2013)
CN(CC)C70373.139C4H11NN,N-dimethylethanamineN165CN(CC)CInChI=1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3InChIKey=DAZXVJBJRMWXJP-UHFFFAOYSA-N36.7Ex 45.28(BP est) -96.54(MP est) 36.50(BP exp) -140.00(MP exp) CN(CC)C -140ExptN
CNCCC70473.139C4H11NN-methylpropan-1-amineN165CNCCCInChI=1S/C4H11N/c1-3-4-5-2/h5H,3-4H2,1-2H3InChIKey=GVWISOJSERXQBM-UHFFFAOYSA-N62.5Ex 68.26(BP est) -79.73(MP est) 62.00(BP exp) ----(MP exp) CNCCC -79.7PredY(Gu et al. 2013)
CNC(C)C70573.139C4H11NN-methylpropan-2-amineN165CNC(C)CInChI=1S/C4H11N/c1-4(2)5-3/h4-5H,1-3H3InChIKey=XHFGWHUWQXTGAT-UHFFFAOYSA-N50.5Ex 52.90(BP est) -91.72(MP est) 50.40(BP exp) ----(MP exp) CNC(C)C -91.7PredY(Gu et al. 2013)
O=PC=C70974.0188C2H3OPoxo(vinyl)phosphaneN74O=PC=CInChI=1S/C2H3OP/c1-2-4-3/h2H,1H2InChIKey=ONLFBNDNPYLPCT-UHFFFAOYSA-N82.6Ex 82.61(BP est) -80.84(MP est) ----(BP exp) ----(MP exp) O=PC=C -80.8PredN
C(#N)PN71074.0228CH3N2PaminophosphanecarbonitrileN74C(#N)PNInChI=1S/CH3N2P/c2-1-4-3/h4H,3H2InChIKey=GAYXWVQGLNQTKF-UHFFFAOYSA-N150.2Ex 150.19(BP est) -17.42(MP est) ----(BP exp) ----(MP exp) C(#N)PN -17.4PredN
O=C1OCO171274.035C2H2O31,3-dioxetan-2-oneN75O=C1OCO1InChI=1S/C2H2O3/c3-2-4-1-5-2/h1H2InChIKey=ZVYSYCLZXICWLH-UHFFFAOYSA-N269.3Ex 269.28(BP est) 3.93(MP est) ----(BP exp) ----(MP exp) O=C1OCO1 3.9PredN
OC(C=O)=O71374.035C2H2O32-oxoacetic acidN75OC(C=O)=OInChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)InChIKey=HHLFWLYXYJOTON-UHFFFAOYSA-N178.1Ex 178.14(BP est) 16.05(MP est) ----(BP exp) 98.00(MP exp) OC(C=O)=O 98ExptY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
C(=O)(N)N=O71474.039CH2N2O2nitrosoformamideN75C(=O)(N)N=OInChI=1S/CH2N2O2/c2-1(4)3-5/h(H2,2,4)InChIKey=QBPFLGQMJZOZIV-UHFFFAOYSA-N158.1Ex 158.06(BP est) 28.99(MP est) ----(BP exp) ----(MP exp) C(=O)(N)N=O 29PredN
C=NN(=O)=O71574.039CH2N2O2N-methylenenitramideN75C=NN(=O)=OInChI=1S/CH2N2O2/c1-2-3(4)5/h1H2InChIKey=YIIPXFYNIUXARJ-UHFFFAOYSA-N92.8Ex 92.84(BP est) -43.59(MP est) ----(BP exp) ----(MP exp) C=NN(=O)=O -43.6PredN
OC(F)(C#C)71674.0544C3H3FO1-fluoroprop-2-yn-1-olN85OC(F)(C#C)InChI=1S/C3H3FO/c1-2-3(4)5/h1,3,5HInChIKey=IVHUNZYHDJNTHR-UHFFFAOYSA-N78.2Ex 78.21(BP est) -62.10(MP est) ----(BP exp) ----(MP exp) OC(F)(C#C) -62.1PredN
FCC1=CO171774.0544C3H3FO2-(fluoromethyl)oxireneN85FCC1=CO1InChI=1S/C3H3FO/c4-1-3-2-5-3/h2H,1H2InChIKey=RYHCRNJBMFHYRT-UHFFFAOYSA-N42.7Ex 42.71(BP est) -87.85(MP est) ----(BP exp) ----(MP exp) FCC1=CO1 -87.9PredN
FC(O1)=C1C71874.0544C3H3FO2-fluoro-3-methyloxireneN85FC(O1)=C1CInChI=1S/C3H3FO/c1-2-3(4)5-2/h1H3InChIKey=DAKPHOWUNJJBBI-UHFFFAOYSA-N40.5Ex 40.46(BP est) -82.24(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1C -82.2PredN
C(=O)C(F)=C71974.0544C3H3FO2-fluoroacrylaldehydeN85C(=O)C(F)=CInChI=1S/C3H3FO/c1-3(4)2-5/h2H,1H2InChIKey=MQBNWHZGDKLEHL-UHFFFAOYSA-N71.5Ex 53.38(BP est) -102.61(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)=C -102.6PredN
C(=O)C=C(F)72074.0544C3H3FO3-fluoroacrylaldehydeN85C(=O)C=C(F)InChI=1S/C3H3FO/c4-2-1-3-5/h1-3HInChIKey=FXLLEAGADOGTNE-UHFFFAOYSA-N70.1Ex 70.05(BP est) -92.42(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(F) -92.4PredN
OC(C#CF)72174.0544C3H3FO3-fluoroprop-2-yn-1-olN85OC(C#CF)InChI=1S/C3H3FO/c4-2-1-3-5/h5H,3H2InChIKey=DTYFDQXBLPHTRD-UHFFFAOYSA-N109.7Ex 109.71(BP est) -15.84(MP est) ----(BP exp) ----(MP exp) OC(C#CF) -15.8PredN
CP1CC172274.0628C3H7P1-methylphosphiraneN114CP1CC1InChI=1S/C3H7P/c1-4-2-3-4/h2-3H2,1H3InChIKey=CXYFGXNSRDSPQE-UHFFFAOYSA-N48.1Ex 48.14(BP est) -97.91(MP est) ----(BP exp) ----(MP exp) CP1CC1 -97.9PredN
C=CCP72374.0628C3H7PallylphosphaneN114C=CCPInChI=1S/C3H7P/c1-2-3-4/h2H,1,3-4H2InChIKey=QHJWOSHIGFDANE-UHFFFAOYSA-N57.8Ex 57.82(BP est) -99.94(MP est) ----(BP exp) ----(MP exp) C=CCP -99.9PredN
PC1CC172474.0628C3H7PcyclopropylphosphaneN114PC1CC1InChI=1S/C3H7P/c4-3-1-2-3/h3H,1-2,4H2InChIKey=LRTZIJCDXOAKRC-UHFFFAOYSA-N64.1Ex 64.05(BP est) -88.27(MP est) ----(BP exp) ----(MP exp) PC1CC1 -88.3PredN
CPC=C72574.0628C3H7Pmethyl(vinyl)phosphaneN114CPC=CInChI=1S/C3H7P/c1-3-4-2/h3-4H,1H2,2H3InChIKey=ZFJGNEHHKKSBGN-UHFFFAOYSA-N35.5Ex 35.52(BP est) -114.64(MP est) ----(BP exp) ----(MP exp) CPC=C -114.6PredN
P1CCC172674.0628C3H7PphosphetaneN114P1CCC1InChI=1S/C3H7P/c1-2-4-3-1/h4H,1-3H2InChIKey=RVZJVYCTFGOEHX-UHFFFAOYSA-N49.5Ex 49.48(BP est) -98.59(MP est) ----(BP exp) ----(MP exp) P1CCC1 -98.6PredN
O1COCC172774.079C3H6O21,3-dioxolaneN115O1COCC1InChI=1S/C3H6O2/c1-2-5-3-4-1/h1-3H2InChIKey=WNXJIVFYUVYPPR-UHFFFAOYSA-N76.5Ex 76.12(BP est) -75.26(MP est) 78.00(BP exp) -95.00(MP exp) O1COCC1 -95ExptY(de Lacy Costello et al. 2014)
CC(CO)=O72874.079C3H6O21-hydroxypropan-2-oneN115CC(CO)=OInChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N145.6Ex 135.90(BP est) -36.58(MP est) 145.50(BP exp) -17.00(MP exp) CC(CO)=O -17ExptY(Irwin et al. 2012)
CC(O)C=O72974.079C3H6O22-hydroxypropanalN115CC(O)C=OInChI=1S/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3InChIKey=BSABBBMNWQWLLU-UHFFFAOYSA-N128.1Ex 128.05(BP est) -50.33(MP est) ----(BP exp) ----(MP exp) CC(O)C=O -50.3PredY(Irwin et al. 2012, ExPaSy 2015)
O=CCOC73074.079C3H6O22-methoxyacetaldehydeN115O=CCOCInChI=1S/C3H6O2/c1-5-3-2-4/h2H,3H2,1H3InChIKey=YSEFYOVWKJXNCH-UHFFFAOYSA-N85.8Ex 85.78(BP est) -74.47(MP est) ----(BP exp) ----(MP exp) O=CCOC -74.5PredY(Smialowicz et al. 1993)
OCCC=O73174.079C3H6O23-hydroxypropanalN115OCCC=OInChI=1S/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2InChIKey=AKXKFZDCRYJKTF-UHFFFAOYSA-N148.9Ex 148.91(BP est) -36.74(MP est) ----(BP exp) ----(MP exp) OCCC=O -36.7PredY(DNP 2017)
O=COCC73274.079C3H6O2ethyl formateN115O=COCCInChI=1S/C3H6O2/c1-2-5-3-4/h3H,2H2,1H3InChIKey=WBJINCZRORDGAQ-UHFFFAOYSA-N54.5Ex 55.00(BP est) -86.22(MP est) 54.40(BP exp) -79.60(MP exp) O=COCC -79.6ExptY(Sun et al. 2012, Wishart et al. 2013)
COC(C)=O73374.079C3H6O2methyl acetateN115COC(C)=OInChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3InChIKey=KXKVLQRXCPHEJC-UHFFFAOYSA-N56.7Ex 52.62(BP est) -95.10(MP est) 92.00(BP exp) -98.00(MP exp) COC(C)=O -98ExptY(Griffin et al. 2010, Wishart et al. 2013, de Lacy Costello et al. 2014)
OC1COC173474.079C3H6O2oxetan-3-olN115OC1COC1InChI=1S/C3H6O2/c4-3-1-5-2-3/h3-4H,1-2H2InChIKey=QMLWSAXEQSBAAQ-UHFFFAOYSA-N118.8Ex 118.79(BP est) -46.04(MP est) ----(BP exp) ----(MP exp) OC1COC1 -46PredN
OCC1CO173574.079C3H6O2oxiran-2-ylmethanolN115OCC1CO1InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2InChIKey=CTKINSOISVBQLD-UHFFFAOYSA-N160.5Ex 124.16(BP est) -42.71(MP est) ----(BP exp) ----(MP exp) OCC1CO1 -42.7PredN
OC(CC)=O73674.079C3H6O2propionic acidN115OC(CC)=OInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)InChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N140.9Ex 145.02(BP est) -8.99(MP est) 141.10(BP exp) -20.70(MP exp) OC(CC)=O -20.7ExptY(Irwin et al. 2012, ExPaSy 2015)
C#CC#CC#C73774.082C6H2hexa-1,3,5-triyneN86C#CC#CC#CInChI=1S/C6H2/c1-3-5-6-4-2/h1-2HInChIKey=MZHROOGPARRVHS-UHFFFAOYSA-N80.2Ex 106.37(BP est) 16.35(MP est) ----(BP exp) ----(MP exp) C#CC#CC#C 16.4PredY(DNP 2017)
ONC(N)=C73874.083C2H6N2O1-(hydroxyamino)ethen-1-amineN115ONC(N)=CInChI=1S/C2H6N2O/c1-2(3)4-5/h4-5H,1,3H2InChIKey=FDJPJMWXIWFODR-UHFFFAOYSA-N178.4Ex 178.43(BP est) 5.34(MP est) ----(BP exp) ----(MP exp) ONC(N)=C 5.3PredN
C=NN(C)O73974.083C2H6N2O1-hydroxy-1-methyl-2-methylenehydrazineN115C=NN(C)OInChI=1S/C2H6N2O/c1-3-4(2)5/h5H,1H2,2H3InChIKey=YZMNCSHMHOIMRM-UHFFFAOYSA-N201.4Ex 201.40(BP est) -8.35(MP est) ----(BP exp) ----(MP exp) C=NN(C)O -8.4PredN
NC(NC)=O74074.083C2H6N2O1-methylureaN115NC(NC)=OInChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)InChIKey=XGEGHDBEHXKFPX-UHFFFAOYSA-N177.4Ex 177.41(BP est) 11.01(MP est) ----(BP exp) 103.00(MP exp) NC(NC)=O 103ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
NC(C)N=O74174.083C2H6N2O1-nitrosoethan-1-amineN115NC(C)N=OInChI=1S/C2H6N2O/c1-2(3)4-5/h2H,3H2,1H3InChIKey=DJTBGGJICAKURK-UHFFFAOYSA-N56.8Ex 56.77(BP est) -30.87(MP est) ----(BP exp) ----(MP exp) NC(C)N=O -30.9PredN
O=CC=N74257.052C2H3NO2-iminoacetaldehydeN115NC(C=O)NInChI=1S/C2H3NO/c3-1-2-4/h1-3HInChIKey=PJXKDAHSYZDMOY-UHFFFAOYSA-N147.9Ex 147.93(BP est) 2.69(MP est) ----(BP exp) ----(MP exp) NC(C=O)N 2.7PredN
NCC(N)=O74374.083C2H6N2O2-aminoacetamideN115NCC(N)=OInChI=1S/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)InChIKey=BEBCJVAWIBVWNZ-UHFFFAOYSA-N229.7Ex 229.68(BP est) 54.71(MP est) ----(BP exp) ----(MP exp) NCC(N)=O 54.7PredY(Schomburg et al. 2002)
NNC(C)=O74474.083C2H6N2OacetohydrazideN115NNC(C)=OInChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)InChIKey=OFLXLNCGODUUOT-UHFFFAOYSA-N223.9Ex 223.88(BP est) 46.83(MP est) ----(BP exp) 67.00(MP exp) NNC(C)=O 67ExptY(Gu et al. 2013)
NC(OC)=N74574.083C2H6N2Omethyl carbamimidateN115NC(OC)=NInChI=1S/C2H6N2O/c1-5-2(3)4/h1H3,(H3,3,4)InChIKey=RMAHPRNLQIRHIJ-UHFFFAOYSA-N135.8Ex 135.81(BP est) -10.47(MP est) ----(BP exp) ----(MP exp) NC(OC)=N -10.5PredN
CN(C)N=O74674.083C2H6N2ON,N-dimethylnitrous amideN115CN(C)N=OInChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3InChIKey=UMFJAHHVKNCGLG-UHFFFAOYSA-N150.2Ex 156.49(BP est) -39.07(MP est) 154.00(BP exp) ----(MP exp) CN(C)N=O -39.1PredY(Wishart et al. 2013)
NNC(N)=N74774.087CH6N4hydrazinecarboximidamideN115NNC(N)=NInChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)InChIKey=HAMNKKUPIHEESI-UHFFFAOYSA-N189.2Ex 189.22(BP est) 26.58(MP est) ----(BP exp) ----(MP exp) NNC(N)=N 26.6PredN
C#CSO74874.097C2H2OSethynylsulfanolN64C#CSOInChI=1S/C2H2OS/c1-2-4-3/h1,3HInChIKey=WVPHPPBOCBKHCG-UHFFFAOYSA-N158.1Ex 158.06(BP est) -20.02(MP est) ----(BP exp) ----(MP exp) C#CSO -20PredN
C(CF)(C1)(C1)74974.0984C4H7F(fluoromethyl)cyclopropaneN125C(CF)(C1)(C1)InChI=1S/C4H7F/c5-3-4-1-2-4/h4H,1-3H2InChIKey=BBOUSJIHFHLBIZ-UHFFFAOYSA-N26.8Ex 26.75(BP est) -108.92(MP est) ----(BP exp) ----(MP exp) C(CF)(C1)(C1) -108.9PredN
C(F)(C)(C1)(C1)75074.0984C4H7F1-fluoro-1-methylcyclopropaneN125C(F)(C)(C1)(C1)InChI=1S/C4H7F/c1-4(5)2-3-4/h2-3H2,1H3InChIKey=PMTJZZSFYRFJON-UHFFFAOYSA-N12.6Ex 12.57(BP est) -101.11(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C1)(C1) -101.1PredN
C(C)(C1)(C1F)75174.0984C4H7F1-fluoro-2-methylcyclopropaneN125C(C)(C1)(C1F)InChI=1S/C4H7F/c1-3-2-4(3)5/h3-4H,2H2,1H3InChIKey=WNBMPCSKLWIYKM-UHFFFAOYSA-N19.0Ex 18.99(BP est) -113.30(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C1F) -113.3PredN
C(F)=C(C)(C)75274.0984C4H7F1-fluoro-2-methylprop-1-eneN125C(F)=C(C)(C)InChI=1S/C4H7F/c1-4(2)3-5/h3H,1-2H3InChIKey=GRLHOORFDPGKMC-UHFFFAOYSA-N31.9Ex 23.14(BP est) -128.46(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(C) -128.5PredN
C(CC=CF)75374.0984C4H7F1-fluorobut-1-eneN125C(CC=CF)InChI=1S/C4H7F/c1-2-3-4-5/h3-4H,2H2,1H3InChIKey=WFOIWBGKCSYBJN-UHFFFAOYSA-N21.2Ex 30.41(BP est) -119.36(MP est) ----(BP exp) ----(MP exp) C(CC=CF) -119.4PredN
C(C)=C(CF)75474.0984C4H7F1-fluorobut-2-eneN125C(C)=C(CF)InChI=1S/C4H7F/c1-2-3-4-5/h2-3H,4H2,1H3InChIKey=JYZFTXWDXGDNJZ-UHFFFAOYSA-N21.2Ex 30.41(BP est) -119.36(MP est) ----(BP exp) ----(MP exp) C(C)=C(CF) -119.4PredN
C(CC(F)=C)75574.0984C4H7F2-fluorobut-1-eneN125C(CC(F)=C)InChI=1S/C4H7F/c1-3-4(2)5/h2-3H2,1H3InChIKey=MRZVFPZZWWSATG-UHFFFAOYSA-N24.5Ex 12.83(BP est) -129.81(MP est) ----(BP exp) ----(MP exp) C(CC(F)=C) -129.8PredN
C(C)=C(F)(C)75674.0984C4H7F2-fluorobut-2-eneN125C(C)=C(F)(C)InChI=1S/C4H7F/c1-3-4(2)5/h3H,1-2H3InChIKey=ZNBIPPFCWSKMHR-UHFFFAOYSA-N27.0Ex 23.14(BP est) -128.46(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(C) -128.5PredN
C=C(C)(CF)75774.0984C4H7F3-fluoro-2-methylprop-1-eneN125C=C(C)(CF)InChI=1S/C4H7F/c1-4(2)3-5/h1,3H2,2H3InChIKey=JSUAVFIULBAVFU-UHFFFAOYSA-N31.9Ex 12.83(BP est) -129.81(MP est) ----(BP exp) ----(MP exp) C=C(C)(CF) -129.8PredN
C(C(F)C=C)75874.0984C4H7F3-fluorobut-1-eneN125C(C(F)C=C)InChI=1S/C4H7F/c1-3-4(2)5/h3-4H,1H2,2H3InChIKey=QFGLWXVQAHHQEZ-UHFFFAOYSA-N13.3Ex 3.84(BP est) -132.95(MP est) ----(BP exp) ----(MP exp) C(C(F)C=C) -133PredN
C(F)(CC=C)75974.0984C4H7F4-fluorobut-1-eneN125C(F)(CC=C)InChI=1S/C4H7F/c1-2-3-4-5/h2H,1,3-4H2InChIKey=WMLYRGWCQHHBJZ-UHFFFAOYSA-N13.7Ex 20.20(BP est) -120.68(MP est) ----(BP exp) ----(MP exp) C(F)(CC=C) -120.7PredN
C(C1)(CC1F)76074.0984C4H7FfluorocyclobutaneN125C(C1)(CC1F)InChI=1S/C4H7F/c5-4-2-1-3-4/h4H,1-3H2InChIKey=SKRPCQXQBBHPKO-UHFFFAOYSA-N29.2Ex 29.19(BP est) -109.96(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1F) -110PredN
N#CSN76174.101CH2N2SS-cyanothiohydroxylamineN64N#CSNInChI=1S/CH2N2S/c2-1-4-3/h3H2InChIKey=FCVPQJRQZFMXTM-UHFFFAOYSA-N175.9Ex 175.85(BP est) -0.23(MP est) ----(BP exp) ----(MP exp) N#CSN -0.2PredN
COCCC76274.123C4H10O1-methoxypropaneN155COCCCInChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3InChIKey=VNKYTQGIUYNRMY-UHFFFAOYSA-N38.7Ex 47.02(BP est) -101.15(MP est) 39.10(BP exp) ----(MP exp) COCCC -101.2PredN
COC(C)C76374.123C4H10O2-methoxypropaneN155COC(C)CInChI=1S/C4H10O/c1-4(2)5-3/h4H,1-3H3InChIKey=RMGHERXMTMUMMV-UHFFFAOYSA-N30.3Ex 31.21(BP est) -113.26(MP est) 30.70(BP exp) ----(MP exp) COC(C)C -113.3PredN
OCC(C)C76474.123C4H10O2-methylpropan-1-olN155OCC(C)CInChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N107.4Ex 99.58(BP est) -74.01(MP est) 107.80(BP exp) -108.00(MP exp) OCC(C)C -108ExptY(Pyysalo 1976, Diaz et al. 2002, Irwin et al. 2012, DNP 2017)
OC(C)(C)C76574.123C4H10O2-methylpropan-2-olN155OC(C)(C)CInChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3InChIKey=DKGAVHZHDRPRBM-UHFFFAOYSA-N82.2Ex 70.42(BP est) -73.81(MP est) 82.40(BP exp) 25.40(MP exp) OC(C)(C)C 25.4ExptY(Sun et al. 2012, Wishart et al. 2013, de Lacy Costello et al. 2014)
OCCCC76674.123C4H10Obutan-1-olN155OCCCCInChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3InChIKey=LRHPLDYGYMQRHN-UHFFFAOYSA-N117.4Ex 113.91(BP est) -62.33(MP est) 118.00(BP exp) -89.80(MP exp) OCCCC -89.8ExptY(Pyysalo 1976, Feng et al. 2007, Irwin et al. 2012, DNP 2017)
OC(CC)C76774.123C4H10Obutan-2-olN155OC(CC)CInChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3InChIKey=BTANRVKWQNVYAZ-UHFFFAOYSA-N99.3Ex 91.76(BP est) -76.29(MP est) 99.50(BP exp) -114.70(MP exp) OC(CC)C -114.7ExptY(Cha and Cadwallader 1995, Diaz et al. 2002, Irwin et al. 2012)
CCOCC76874.123C4H10OethoxyethaneN155CCOCCInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3InChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N34.7Ex 47.02(BP est) -101.15(MP est) 34.60(BP exp) -116.30(MP exp) CCOCC -116.3ExptY(Fox and Wallace. 1997, DNP 2017)
CN(NC)C76974.127C3H10N21,1,2-trimethylhydrazineN155CN(NC)CInChI=1S/C3H10N2/c1-4-5(2)3/h4H,1-3H3InChIKey=NIIPNAJXERMYOG-UHFFFAOYSA-N62.5Ex 67.55(BP est) -69.34(MP est) ----(BP exp) ----(MP exp) CN(NC)C -69.3PredN
CN(N)CC77074.127C3H10N21-ethyl-1-methylhydrazineN155CN(N)CCInChI=1S/C3H10N2/c1-3-5(2)4/h3-4H2,1-2H3InChIKey=ZFSFKYIBIOKXKI-UHFFFAOYSA-N87.0Ex 86.99(BP est) -48.36(MP est) ----(BP exp) ----(MP exp) CN(N)CC -48.4PredN
CNNCC77174.127C3H10N21-ethyl-2-methylhydrazineN155CNNCCInChI=1S/C3H10N2/c1-3-5-4-2/h4-5H,3H2,1-2H3InChIKey=PFJOTFSIBVZGPK-UHFFFAOYSA-N89.8Ex 89.82(BP est) -52.74(MP est) ----(BP exp) ----(MP exp) CNNCC -52.7PredN
NNC(C)C77274.127C3H10N2isopropylhydrazineN155NNC(C)CInChI=1S/C3H10N2/c1-3(2)5-4/h3,5H,4H2,1-2H3InChIKey=KJAQRHMKLVGSCG-UHFFFAOYSA-N106.8Ex 94.18(BP est) -43.67(MP est) ----(BP exp) ----(MP exp) NNC(C)C -43.7PredN
N(C)CNC77374.127C3H10N2N,N'-dimethylmethanediamineN155N(C)CNCInChI=1S/C3H10N2/c1-4-3-5-2/h4-5H,3H2,1-2H3InChIKey=HKQRKLJWAQVSBC-UHFFFAOYSA-N76.5Ex 89.82(BP est) -52.74(MP est) ----(BP exp) ----(MP exp) N(C)CNC -52.7PredN
NCN(C)C77474.127C3H10N2N,N-dimethylmethanediamineN155NCN(C)CInChI=1S/C3H10N2/c1-5(2)3-4/h3-4H2,1-2H3InChIKey=VSEKEMQDOIJVFY-UHFFFAOYSA-N87.0Ex 86.99(BP est) -48.36(MP est) ----(BP exp) ----(MP exp) NCN(C)C -48.4PredN
NCCNC77574.127C3H10N2N1-methylethane-1,2-diamineN155NCCNCInChI=1S/C3H10N2/c1-5-3-2-4/h5H,2-4H2,1H3InChIKey=KFIGICHILYTCJF-UHFFFAOYSA-N114.4Ex 108.63(BP est) -31.95(MP est) 115.00(BP exp) ----(MP exp) NCCNC -32PredY(Gu et al. 2013)
CCC=N77657.096C3H7Npropan-1-imineN155CCC(N)NInChI=1S/C3H7N/c1-2-3-4/h3-4H,2H2,1H3InChIKey=WJKYOQDIQYJXSD-UHFFFAOYSA-N112.9Ex 112.86(BP est) -22.92(MP est) ----(BP exp) ----(MP exp) CCC(N)N -22.9PredN
CC(N)CN77774.127C3H10N2propane-1,2-diamineN155CC(N)CNInChI=1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3InChIKey=AOHJOMMDDJHIJH-UHFFFAOYSA-N118.9Ex 112.86(BP est) -22.92(MP est) 119.50(BP exp) ----(MP exp) CC(N)CN -22.9PredY(Wishart et al. 2013)
NCCCN77874.127C3H10N2propane-1,3-diamineN155NCCCNInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2InChIKey=XFNJVJPLKCPIBV-UHFFFAOYSA-N138.5Ex 126.88(BP est) -11.32(MP est) 139.80(BP exp) ----(MP exp) NCCCN -11.3PredY(DNP 2017)
N=C(C)C77957.096C3H7Npropan-2-imineN155NC(N)(C)CInChI=1S/C3H7N/c1-3(2)4/h4H,1-2H3InChIKey=XDAGXZXKTKRFMT-UHFFFAOYSA-N58.0Ex 103.46(BP est) -16.95(MP est) ----(BP exp) ----(MP exp) NC(N)(C)C -17PredN
NNCCC78074.127C3H10N2propylhydrazineN155NNCCCInChI=1S/C3H10N2/c1-2-3-5-4/h5H,2-4H2,1H3InChIKey=UKPBXIFLSVLDPA-UHFFFAOYSA-N118.0Ex 108.63(BP est) -31.95(MP est) ----(BP exp) ----(MP exp) NNCCC -32PredN
CC1CS178174.141C3H6S2-methylthiiraneN104CC1CS1InChI=1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3InChIKey=MBNVSWHUJDDZRH-UHFFFAOYSA-N73.9Ex 69.71(BP est) -63.58(MP est) 72.50(BP exp) -91.00(MP exp) CC1CS1 -91ExptY(de Lacy Costello et al. 2014)
SC1CC178274.141C3H6ScyclopropanethiolN104SC1CC1InChI=1S/C3H6S/c4-3-1-2-3/h3-4H,1-2H2InChIKey=NQUFBBVYXNYYDX-UHFFFAOYSA-N87.3Ex 87.30(BP est) -78.94(MP est) ----(BP exp) ----(MP exp) SC1CC1 -78.9PredN
CSC=C78374.141C3H6Smethyl(vinyl)sulfaneN104CSC=CInChI=1S/C3H6S/c1-3-4-2/h3H,1H2,2H3InChIKey=AMBKPYJJYUKNFI-UHFFFAOYSA-N66.3Ex 66.29(BP est) -95.95(MP est) ----(BP exp) ----(MP exp) CSC=C -96PredN
CC=CS78474.141C3H6Sprop-1-ene-1-thiolN104CC=CSInChI=1S/C3H6S/c1-2-3-4/h2-4H,1H3InChIKey=RIZGKEIRSQLIBK-UHFFFAOYSA-N90.7Ex 90.67(BP est) -89.46(MP est) ----(BP exp) ----(MP exp) CC=CS -89.5PredY(Wishart et al. 2013)
SCC=C78574.141C3H6Sprop-2-ene-1-thiolN104SCC=CInChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2InChIKey=ULIKDJVNUXNQHS-UHFFFAOYSA-N71.0Ex 81.28(BP est) -90.55(MP est) 65.00(BP exp) ----(MP exp) SCC=C -90.6PredY(DNP 2017)
CC(=S)C78674.141C3H6Spropane-2-thioneN104CC(=S)CInChI=1S/C3H6S/c1-3(2)4/h1-2H3InChIKey=JTNXQVCPQMQLHK-UHFFFAOYSA-N81.1Ex 81.12(BP est) -68.58(MP est) ----(BP exp) ----(MP exp) CC(=S)C -68.6PredN
S=CCC78774.141C3H6SpropanethialN104S=CCCInChI=1S/C3H6S/c1-2-3-4/h3H,2H2,1H3InChIKey=UXBLKIPIXRLLBH-UHFFFAOYSA-N-0.9Ex -0.93(BP est) -124.98(MP est) ----(BP exp) ----(MP exp) S=CCC -125PredY(de Lacy Costello et al. 2014)
C1CCS178874.141C3H6SthietaneN104C1CCS1InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2InChIKey=XSROQCDVUIHRSI-UHFFFAOYSA-N95.0Ex 79.24(BP est) -60.44(MP est) 95.00(BP exp) -73.20(MP exp) C1CCS1 -73.2ExptN
ClC1=CC178974.507C3H3Cl1-chlorocycloprop-1-eneN74ClC1=CC1InChI=1S/C3H3Cl/c4-3-1-2-3/h1H,2H2InChIKey=JWVBFTRLFJWPQA-UHFFFAOYSA-N46.1Ex 46.14(BP est) -85.47(MP est) ----(BP exp) ----(MP exp) ClC1=CC1 -85.5PredN
CC#CCl79074.507C3H3Cl1-chloroprop-1-yneN74CC#CClInChI=1S/C3H3Cl/c1-2-3-4/h1H3InChIKey=OMNGRPHPKWAMSY-UHFFFAOYSA-N31.7Ex 51.80(BP est) -48.49(MP est) ----(BP exp) ----(MP exp) CC#CCl -48.5PredN
ClC1C=C179174.507C3H3Cl3-chlorocycloprop-1-eneN74ClC1C=C1InChI=1S/C3H3Cl/c4-3-1-2-3/h1-3HInChIKey=DCLDCYQLHKUPKF-UHFFFAOYSA-N57.2Ex 57.20(BP est) -90.62(MP est) ----(BP exp) ----(MP exp) ClC1C=C1 -90.6PredN
ClCC#C79274.507C3H3Cl3-chloroprop-1-yneN74ClCC#CInChI=1S/C3H3Cl/c1-2-3-4/h1H,3H2InChIKey=LJZPPWWHKPGCHS-UHFFFAOYSA-N57.1Ex 72.27(BP est) -72.08(MP est) 58.00(BP exp) ----(MP exp) ClCC#C -72.1PredN
[O-][N+](=O)C=O79375.023CHNO3nitroformaldehydeN65[O-][N+](=O)C=OInChI=1S/CHNO3/c3-1-2(4)5/h1HInChIKey=CAMJPMYWRKKZNK-UHFFFAOYSA-N127.6Ex 127.60(BP est) -12.84(MP est) ----(BP exp) ----(MP exp) [O-][N+](=O)C=O -12.8PredN
OC(=O)N=O79475.023CHNO3nitrosoformic acidN65OC(=O)N=OInChI=1S/CHNO3/c3-1(4)2-5/h(H,3,4)InChIKey=KJLARRXJXZWUGO-UHFFFAOYSA-N130.8Ex 130.78(BP est) -3.01(MP est) ----(BP exp) ----(MP exp) OC(=O)N=O -3PredN
NOC#CF79575.0424C2H2FNOO-(fluoroethynyl)hydroxylamineN75NOC#CFInChI=1S/C2H2FNO/c3-1-2-5-4/h4H2InChIKey=WRHUSBMXLGGAJT-UHFFFAOYSA-N84.3Ex 84.26(BP est) -6.57(MP est) ----(BP exp) ----(MP exp) NOC#CF -6.6PredN
NC(CO)=O79675.067C2H5NO22-hydroxyacetamideN105NC(CO)=OInChI=1S/C2H5NO2/c3-2(5)1-4/h4H,1H2,(H2,3,5)InChIKey=TZGPACAKMCUCKX-UHFFFAOYSA-N249.4Ex 249.39(BP est) 57.73(MP est) ----(BP exp) ----(MP exp) NC(CO)=O 57.7PredN
NCC(O)=O79875.067C2H5NO2glycineN105NCC(O)=OInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)InChIKey=DHMQDGOQFOQNFH-UHFFFAOYSA-N377.0Ex 375.67(BP est) 246.17(MP est) ----(BP exp) 262.00(MP exp) NCC(O)=O 262ExptY(Irwin et al. 2012, ExPaSy 2015)
NC(OC)=O79975.067C2H5NO2methyl carbamateN105NC(OC)=OInChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)InChIKey=GTCAXTIRRLKXRU-UHFFFAOYSA-N177.0Ex 93.91(BP est) -47.05(MP est) 177.00(BP exp) 54.00(MP exp) NC(OC)=O 54ExptY(Gu et al. 2013)
ONC(C)=O80075.067C2H5NO2N-hydroxyacetamideN105ONC(C)=OInChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)InChIKey=RRUDCFGSUDOHDG-UHFFFAOYSA-N256.7Ex 256.74(BP est) 62.06(MP est) ----(BP exp) 90.50(MP exp) ONC(C)=O 90.5ExptN
CC[N+]([O-])=O80175.067C2H5NO2nitroethaneN105CC[N+]([O-])=OInChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3InChIKey=MCSAJNNLRCFZED-UHFFFAOYSA-N142.1Ex 91.28(BP est) -38.81(MP est) 114.00(BP exp) -89.50(MP exp) CC[N+]([O-])=O -89.5ExptN
CONC=O80275.067C2H5NO2N-methoxyformamideN105CONC=OInChI=1S/C2H5NO2/c1-5-3-2-4/h2H,1H3,(H,3,4)InChIKey=BYYUJTPNKCFZST-UHFFFAOYSA-N194.3Ex 194.26(BP est) 22.69(MP est) ----(BP exp) ----(MP exp) CONC=O 22.7PredN
C#CC#C[N+]#[C-]80375.07C5HN1-isocyanobuta-1,3-diyneN76C#CC#CN#CInChI=1S/C5HN/c1-3-4-5-6-2/h1HInChIKey=STBDUUJTODBNPI-UHFFFAOYSA-N50.4Ex 50.35(BP est) -26.57(MP est) ----(BP exp) ----(MP exp) C#CC#CN#C -26.6PredN
C#CC#CC#N80475.07C5HNpenta-2,4-diynenitrileN76C#CC#CC#NInChI=1S/C5HN/c1-2-3-4-5-6/h1HInChIKey=WRARULQOSOCOQD-UHFFFAOYSA-N166.5Ex 166.47(BP est) 10.41(MP est) ----(BP exp) ----(MP exp) C#CC#CC#N 10.4PredN
C(=N)(N)NO80575.071CH5N3O1-hydroxyguanidineN105C(=N)(N)NOInChI=1S/CH5N3O/c2-1(3)4-5/h5H,(H4,2,3,4)InChIKey=WFBHRSAKANVBKH-UHFFFAOYSA-N225.0Ex 225.01(BP est) 42.94(MP est) ----(BP exp) ----(MP exp) C(=N)(N)NO 42.9PredN
NNC(N)=O80675.071CH5N3OhydrazinecarboxamideN105NNC(N)=OInChI=1S/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)InChIKey=DUIOPKIIICUYRZ-UHFFFAOYSA-N210.7Ex 210.72(BP est) 43.59(MP est) ----(BP exp) 176.00(MP exp) NNC(N)=O 176ExptY(Van Poucke et al. 2011)
N=C(N=O)80758.04CH2N2OnitrosomethanimineN105NC(N=O)NInChI=1S/CH2N2O/c2-1-3-4/h1-2HInChIKey=ZBZMKIRXPGQRFJ-UHFFFAOYSA-N97.8Ex 97.82(BP est) 17.11(MP est) ----(BP exp) ----(MP exp) NC(N=O)N 17.1PredN
NC(F)(C1)(C1)80875.0864C3H6FN1-fluorocyclopropan-1-amineN115NC(F)(C1)(C1)InChI=1S/C3H6FN/c4-3(5)1-2-3/h1-2,5H2InChIKey=VRFIWNZWTVSRON-UHFFFAOYSA-N56.1Ex 56.12(BP est) -52.40(MP est) ----(BP exp) ----(MP exp) NC(F)(C1)(C1) -52.4PredN
NC(F)(C=C)80975.0864C3H6FN1-fluoroprop-2-en-1-amineN115NC(F)(C=C)InChI=1S/C3H6FN/c1-2-3(4)5/h2-3H,1,5H2InChIKey=BGUKIQGACHDLEQ-UHFFFAOYSA-N47.9Ex 47.87(BP est) -84.10(MP est) ----(BP exp) ----(MP exp) NC(F)(C=C) -84.1PredN
FCC1CN181075.0864C3H6FN2-(fluoromethyl)aziridineN115FCC1CN1InChI=1S/C3H6FN/c4-1-3-2-5-3/h3,5H,1-2H2InChIKey=OHLPPEFMXVSCDP-UHFFFAOYSA-N68.5Ex 68.54(BP est) -49.84(MP est) ----(BP exp) ----(MP exp) FCC1CN1 -49.8PredN
FC1(C)CN181175.0864C3H6FN2-fluoro-2-methylaziridineN115FC1(C)CN1InChI=1S/C3H6FN/c1-3(4)2-5-3/h5H,2H2,1H3InChIKey=DPOPQYVYOGGFLO-UHFFFAOYSA-N55.1Ex 55.12(BP est) -41.80(MP est) ----(BP exp) ----(MP exp) FC1(C)CN1 -41.8PredN
FC1C(C)N181275.0864C3H6FN2-fluoro-3-methylaziridineN115FC1C(C)N1InChI=1S/C3H6FN/c1-2-3(4)5-2/h2-3,5H,1H3InChIKey=CIDIRKPVPDEATH-UHFFFAOYSA-N61.2Ex 61.20(BP est) -54.10(MP est) ----(BP exp) ----(MP exp) FC1C(C)N1 -54.1PredN
FC1NCC181375.0864C3H6FN2-fluoroazetidineN115FC1NCC1InChI=1S/C3H6FN/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=FGAFUEPBYROVFQ-UHFFFAOYSA-N70.8Ex 70.84(BP est) -50.92(MP est) ----(BP exp) ----(MP exp) FC1NCC1 -50.9PredN
NC(C1)(C1F)81475.0864C3H6FN2-fluorocyclopropan-1-amineN115NC(C1)(C1F)InChI=1S/C3H6FN/c4-2-1-3(2)5/h2-3H,1,5H2InChIKey=TUKJTSUSKQOYCD-UHFFFAOYSA-N62.2Ex 62.19(BP est) -64.70(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1F) -64.7PredN
NC(C(F)=C)81575.0864C3H6FN2-fluoroprop-2-en-1-amineN115NC(C(F)=C)InChI=1S/C3H6FN/c1-3(4)2-5/h1-2,5H2InChIKey=LMPNVBOFEQPGQD-UHFFFAOYSA-N56.4Ex 56.37(BP est) -81.10(MP est) ----(BP exp) ----(MP exp) NC(C(F)=C) -81.1PredN
FC1CNC181675.0864C3H6FN3-fluoroazetidineN115FC1CNC1InChI=1S/C3H6FN/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=WQYAZBFZFIUIPL-UHFFFAOYSA-N70.8Ex 70.84(BP est) -50.92(MP est) ----(BP exp) ----(MP exp) FC1CNC1 -50.9PredN
NC(C=CF)81775.0864C3H6FN3-fluoroprop-2-en-1-amineN115NC(C=CF)InChI=1S/C3H6FN/c4-2-1-3-5/h1-2H,3,5H2InChIKey=DTGSMKHVQQJWTL-UHFFFAOYSA-N73.0Ex 72.97(BP est) -70.94(MP est) ----(BP exp) ----(MP exp) NC(C=CF) -70.9PredN
OCN(C)C81875.111C3H9NO(dimethylamino)methanolN145OCN(C)CInChI=1S/C3H9NO/c1-4(2)3-5/h5H,3H2,1-2H3InChIKey=XQKRYBXCYCKQLL-UHFFFAOYSA-N113.3Ex 113.25(BP est) -51.92(MP est) ----(BP exp) ----(MP exp) OCN(C)C -51.9PredN
NCC(C)O82075.111C3H9NO1-aminopropan-2-olN145NCC(C)OInChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3InChIKey=HXKKHQJGJAFBHI-UHFFFAOYSA-N159.3Ex 130.72(BP est) -28.92(MP est) 160.00(BP exp) 24.00(MP exp) NCC(C)O 24ExptY(Irwin et al. 2012, ExPaSy 2015)
NC(OC)C82175.111C3H9NO1-methoxyethan-1-amineN145NC(OC)CInChI=1S/C3H9NO/c1-3(4)5-2/h3H,4H2,1-2H3InChIKey=MHVSMFDBVMPRGT-UHFFFAOYSA-N73.7Ex 73.73(BP est) -64.86(MP est) ----(BP exp) ----(MP exp) NC(OC)C -64.9PredN
CNCOC82275.111C3H9NO1-methoxy-N-methylmethanamineN145CNCOCInChI=1S/C3H9NO/c1-4-3-5-2/h4H,3H2,1-2H3InChIKey=YNVUTAPHFZKPBN-UHFFFAOYSA-N69.2Ex 69.23(BP est) -73.97(MP est) ----(BP exp) ----(MP exp) CNCOC -74PredN
CNCCO82375.111C3H9NO2-(methylamino)ethan-1-olN145CNCCOInChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3InChIKey=OPKOKAMJFNKNAS-UHFFFAOYSA-N158.3Ex 134.00(BP est) -35.77(MP est) 158.00(BP exp) -4.50(MP exp) CNCCO -4.5ExptY(Gu et al. 2013)
NC(C)C(O)82475.111C3H9NO2-aminopropan-1-olN145NC(C)C(O)InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3InChIKey=BKMMTJMQCTUHRP-UHFFFAOYSA-N173.5Ex 138.05(BP est) -26.78(MP est) 174.50(BP exp) ----(MP exp) NC(C)C(O) -26.8PredY(Irwin et al. 2012, Guo et al. 2013)
NCCOC82675.111C3H9NO2-methoxyethan-1-amineN145NCCOCInChI=1S/C3H9NO/c1-5-3-2-4/h2-4H2,1H3InChIKey=ASUDFOJKTJLAIK-UHFFFAOYSA-N95.0Ex 88.63(BP est) -53.01(MP est) 95.00(BP exp) ----(MP exp) NCCOC -53PredN
NCCC(O)82775.111C3H9NO3-aminopropan-1-olN145NCCC(O)InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2InChIKey=WUGQZFFCHPXWKQ-UHFFFAOYSA-N187.2Ex 151.48(BP est) -15.36(MP est) 187.50(BP exp) 11.00(MP exp) NCCC(O) 11ExptN
NCOCC82875.111C3H9NOethoxymethanamineN145NCOCCInChI=1S/C3H9NO/c1-2-5-3-4/h2-4H2,1H3InChIKey=QSCNLGHKALSYKF-UHFFFAOYSA-N88.6Ex 88.63(BP est) -53.01(MP est) ----(BP exp) ----(MP exp) NCOCC -53PredN
CN(OC)C82975.111C3H9NON,N,O-trimethylhydroxylamineN145CN(OC)CInChI=1S/C3H9NO/c1-4(2)5-3/h1-3H3InChIKey=QVDVENIYNXDSOK-UHFFFAOYSA-N30.0Ex 46.29(BP est) -90.76(MP est) ----(BP exp) ----(MP exp) CN(OC)C -90.8PredN
CN(O)CC83075.111C3H9NON-ethyl-N-methylhydroxylamineN145CN(O)CCInChI=1S/C3H9NO/c1-3-4(2)5/h5H,3H2,1-2H3InChIKey=RRUADNNEIGVWSQ-UHFFFAOYSA-N200.1Ex 200.12(BP est) -3.48(MP est) ----(BP exp) ----(MP exp) CN(O)CC -3.5PredN
CCNOC83175.111C3H9NON-ethyl-O-methylhydroxylamineN145CCNOCInChI=1S/C3H9NO/c1-3-4-5-2/h4H,3H2,1-2H3InChIKey=DGEIIMKQJPHIDZ-UHFFFAOYSA-N69.2Ex 69.23(BP est) -73.97(MP est) ----(BP exp) ----(MP exp) CCNOC -74PredN
ONC(C)C83275.111C3H9NON-isopropylhydroxylamineN145ONC(C)CInChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3InChIKey=ODHYIQOBTIWVRZ-UHFFFAOYSA-N137.0Ex 137.00(BP est) -42.39(MP est) ----(BP exp) ----(MP exp) ONC(C)C -42.4PredN
CCCNO83375.111C3H9NON-propylhydroxylamineN145CCCNOInChI=1S/C3H9NO/c1-2-3-4-5/h4-5H,2-3H2,1H3InChIKey=OMXHKVKIKSASRV-UHFFFAOYSA-N150.5Ex 150.45(BP est) -30.96(MP est) ----(BP exp) ----(MP exp) CCCNO -31PredN
CNOCC83475.111C3H9NOO-ethyl-N-methylhydroxylamineN145CNOCCInChI=1S/C3H9NO/c1-3-5-4-2/h4H,3H2,1-2H3InChIKey=LUKNLVTZDZMBOU-UHFFFAOYSA-N69.2Ex 69.23(BP est) -73.97(MP est) ----(BP exp) ----(MP exp) CNOCC -74PredN
O(N)C(C)C83575.111C3H9NOO-isopropylhydroxylamineN145O(N)C(C)CInChI=1S/C3H9NO/c1-3(2)5-4/h3H,4H2,1-2H3InChIKey=HLYVNXRHROOICH-UHFFFAOYSA-N73.7Ex 73.73(BP est) -64.86(MP est) ----(BP exp) ----(MP exp) O(N)C(C)C -64.9PredN
NOCCC83675.111C3H9NOO-propylhydroxylamineN145NOCCCInChI=1S/C3H9NO/c1-2-3-5-4/h2-4H2,1H3InChIKey=PRAARDGLAWZXML-UHFFFAOYSA-N88.6Ex 88.63(BP est) -53.01(MP est) ----(BP exp) ----(MP exp) NOCCC -53PredN
[O-][N+](C)(C)C83775.111C3H9NOtrimethylamine oxideN145[O-][N+](C)(C)CInChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3InChIKey=UYPYRKYUKCHHIB-UHFFFAOYSA-N291.8Ex 291.84(BP est) 86.07(MP est) ----(BP exp) ----(MP exp) [O-][N+](C)(C)C 86.1PredY(Irwin et al. 2012, DNP 2017)
NCCNN83875.115C2H9N32-hydrazineylethan-1-amineN145NCCNNInChI=1S/C2H9N3/c3-1-2-5-4/h5H,1-4H2InChIKey=JHKIHARISAHZAK-UHFFFAOYSA-N146.5Ex 146.54(BP est) 15.11(MP est) ----(BP exp) ----(MP exp) NCCNN 15.1PredN
NCC=N83958.084C2H6N22-iminoethan-1-amineN145NCC(N)NInChI=1S/C2H6N2/c3-1-2-4/h1,3H,2,4H2InChIKey=AXQVKDQRBAXYBP-UHFFFAOYSA-N150.5Ex 150.50(BP est) 24.07(MP est) ----(BP exp) ----(MP exp) NCC(N)N 24.1PredN
S=C(C)N84075.129C2H5NSethanethioamideN94S=C(C)NInChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)InChIKey=YUKQRDCYNOVPGJ-UHFFFAOYSA-N120.7Ex 120.72(BP est) -21.02(MP est) ----(BP exp) 115.50(MP exp) S=C(C)N 115.5ExptN
S=CNC84175.129C2H5NSN-methylmethanethioamideN94S=CNCInChI=1S/C2H5NS/c1-3-2-4/h2H,1H3,(H,3,4)InChIKey=YGQNFDNQDVKVAW-UHFFFAOYSA-N22.7Ex 22.69(BP est) -97.39(MP est) ----(BP exp) ----(MP exp) S=CNC -97.4PredN
ClC1=CN184275.495C2H2ClN2-chloro-1H-azirineN64ClC1=CN1InChI=1S/C2H2ClN/c3-2-1-4-2/h1,4HInChIKey=XZSGGDAYJVVJLR-UHFFFAOYSA-N86.9Ex 86.85(BP est) -26.70(MP est) ----(BP exp) ----(MP exp) ClC1=CN1 -26.7PredN
N#CCCl84375.495C2H2ClN2-chloroacetonitrileN64N#CCClInChI=1S/C2H2ClN/c3-1-2-4/h1H2InChIKey=RENMDAKOXSCIGH-UHFFFAOYSA-N125.2Ex 135.73(BP est) -50.18(MP est) 126.00(BP exp) ----(MP exp) N#CCCl -50.2PredY(Ballschmiter 2003)
FB(F)C=C84775.8528C2H3BF2difluoro(vinyl)boraneN85FB(F)C=CInChI=1S/C2H3BF2/c1-2-3(4)5/h2H,1H2InChIKey=ASPQFSKZWSAQBU-UHFFFAOYSA-N-38.8Ex -33.99(BP est) -153.16(MP est) ----(BP exp) ----(MP exp) FB(F)C=C -153.2PredN
O=PCC85176.0348C2H5OPethyl(oxo)phosphaneN94O=PCCInChI=1S/C2H5OP/c1-2-4-3/h2H2,1H3InChIKey=MNRZBCRGXWQKQJ-UHFFFAOYSA-N84.5Ex 84.45(BP est) -79.42(MP est) ----(BP exp) ----(MP exp) O=PCC -79.4PredN
O=P1CC185476.0348C2H5OPphosphirane 1-oxideN94O=P1CC1InChI=1S/C2H5OP/c3-4-1-2-4/h4H,1-2H2InChIKey=ZNCWUIZFZJXKEJ-UHFFFAOYSA-N91.2Ex 91.20(BP est) -72.79(MP est) ----(BP exp) ----(MP exp) O=P1CC1 -72.8PredN
C(=N)(N)P85576.0388CH5N2PphosphanecarboximidamideN94C(=N)(N)PInChI=1S/CH5N2P/c2-1(3)4/h4H2,(H3,2,3)InChIKey=XCXAQVZPLNXACA-UHFFFAOYSA-N146.9Ex 146.89(BP est) -8.31(MP est) ----(BP exp) ----(MP exp) C(=N)(N)P -8.3PredN
FC(C1)=C1F85676.0458C3H2F21,2-difluorocycloprop-1-eneN75FC(C1)=C1FInChI=1S/C3H2F2/c4-2-1-3(2)5/h1H2InChIKey=XPIFUSSSVUOPHT-UHFFFAOYSA-N9.2Ex 9.17(BP est) -104.37(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1F -104.4PredN
FC1=CC1F85776.0458C3H2F21,3-difluorocycloprop-1-eneN75FC1=CC1FInChI=1S/C3H2F2/c4-2-1-3(2)5/h1-2HInChIKey=HPCACFGDUNKELV-UHFFFAOYSA-N3.6Ex 3.59(BP est) -114.38(MP est) ----(BP exp) ----(MP exp) FC1=CC1F -114.4PredN
C(F)(C#CF)85876.0458C3H2F21,3-difluoroprop-1-yneN75C(F)(C#CF)InChI=1S/C3H2F2/c4-2-1-3-5/h2H2InChIKey=YFDZCNQWDVYWQP-UHFFFAOYSA-N17.4Ex 17.42(BP est) -72.90(MP est) ----(BP exp) ----(MP exp) C(F)(C#CF) -72.9PredN
FC1(F)C=C185976.0458C3H2F23,3-difluorocycloprop-1-eneN75FC1(F)C=C1InChI=1S/C3H2F2/c4-3(5)1-2-3/h1-2HInChIKey=XPQHBPQNFWBFNK-UHFFFAOYSA-N-8.6Ex -8.61(BP est) -112.25(MP est) ----(BP exp) ----(MP exp) FC1(F)C=C1 -112.3PredN
C(F)(F)(C#C)86076.0458C3H2F23,3-difluoroprop-1-yneN75C(F)(F)(C#C)InChI=1S/C3H2F2/c1-2-3(4)5/h1,3HInChIKey=ZCSBOJDDMSHDGG-UHFFFAOYSA-N-9.3Ex -9.32(BP est) -117.77(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C#C) -117.8PredN
O=C(O)CO86276.051C2H4O32-hydroxyacetic acidN95O=C(O)COInChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)InChIKey=AEMRFAOFKBGASW-UHFFFAOYSA-N135.0Ex 202.74(BP est) 23.33(MP est) ----(BP exp) 79.50(MP exp) O=C(O)CO 79.5ExptY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
CC(OO)=O86376.051C2H4O3ethaneperoxoic acidN95CC(OO)=OInChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3InChIKey=KFSLWBXXFJQRDL-UHFFFAOYSA-N109.4Ex 104.77(BP est) -42.32(MP est) 110.00(BP exp) -0.20(MP exp) CC(OO)=O -0.2ExptN
O=C(OC)O86476.051C2H4O3methyl hydrogen carbonateN95O=C(OC)OInChI=1S/C2H4O3/c1-5-2(3)4/h1H3,(H,3,4)InChIKey=CXHHBNMLPJOKQD-UHFFFAOYSA-N193.0Ex 192.95(BP est) 26.17(MP est) ----(BP exp) ----(MP exp) O=C(OC)O 26.2PredN
ONC(N)=O86576.055CH4N2O21-hydroxyureaN95ONC(N)=OInChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)InChIKey=VSNHCAURESNICA-UHFFFAOYSA-N244.7Ex 244.72(BP est) 52.87(MP est) ----(BP exp) 141.00(MP exp) ONC(N)=O 141ExptN
N#CC#CC#N86676.058C4N2but-2-ynedinitrileN66N#CC#CC#NInChI=1S/C4N2/c5-3-1-2-4-6InChIKey=ZEHZNAXXOOYTJM-UHFFFAOYSA-N76.5Ex 220.17(BP est) 35.61(MP est) 76.50(BP exp) 20.50(MP exp) N#CC#CC#N 20.5ExptN
C(F)OC=C86776.0704C3H5FO(fluoromethoxy)etheneN105C(F)OC=CInChI=1S/C3H5FO/c1-2-5-3-4/h2H,1,3H2InChIKey=IRVXMVSXMSXNLD-UHFFFAOYSA-N21.2Ex 21.24(BP est) -114.89(MP est) ----(BP exp) ----(MP exp) C(F)OC=C -114.9PredN
COC(F)=C86876.0704C3H5FO1-fluoro-1-methoxyetheneN105COC(F)=CInChI=1S/C3H5FO/c1-3(4)5-2/h1H2,2H3InChIKey=PWDKPEHTCUARGN-UHFFFAOYSA-N13.9Ex 13.89(BP est) -124.02(MP est) ----(BP exp) ----(MP exp) COC(F)=C -124PredN
COC=C(F)86976.0704C3H5FO1-fluoro-2-methoxyetheneN105COC=C(F)InChI=1S/C3H5FO/c1-5-3-2-4/h2-3H,1H3InChIKey=RXGJUHLKOFEGGO-UHFFFAOYSA-N31.4Ex 31.44(BP est) -113.58(MP est) ----(BP exp) ----(MP exp) COC=C(F) -113.6PredN
OC(F)(C1)(C1)87076.0704C3H5FO1-fluorocyclopropan-1-olN105OC(F)(C1)(C1)InChI=1S/C3H5FO/c4-3(5)1-2-3/h5H,1-2H2InChIKey=SWONOXOFDJPMEN-UHFFFAOYSA-N63.8Ex 63.84(BP est) -61.36(MP est) ----(BP exp) ----(MP exp) OC(F)(C1)(C1) -61.4PredN
OC(F)(C=C)87176.0704C3H5FO1-fluoroprop-2-en-1-olN105OC(F)(C=C)InChI=1S/C3H5FO/c1-2-3(4)5/h2-3,5H,1H2InChIKey=RTDDHCCITWZBJM-UHFFFAOYSA-N67.6Ex 67.56(BP est) -89.58(MP est) ----(BP exp) ----(MP exp) OC(F)(C=C) -89.6PredN
CC(=O)C(F)87276.0704C3H5FO1-fluoropropan-2-oneN105CC(=O)C(F)InChI=1S/C3H5FO/c1-3(5)2-4/h2H2,1H3InChIKey=MSWVMWGCNZQPIA-UHFFFAOYSA-N77.0Ex 47.34(BP est) -92.55(MP est) 77.00(BP exp) ----(MP exp) CC(=O)C(F) -92.6PredY(O' Hagan and Harper 1999)
FCC1CO187376.0704C3H5FO2-(fluoromethyl)oxiraneN105FCC1CO1InChI=1S/C3H5FO/c4-1-3-2-5-3/h3H,1-2H2InChIKey=OIFAHDAXIUURLN-UHFFFAOYSA-N82.7Ex 33.91(BP est) -99.18(MP est) 85.50(BP exp) ----(MP exp) FCC1CO1 -99.2PredN
FC1(C)CO187476.0704C3H5FO2-fluoro-2-methyloxiraneN105FC1(C)CO1InChI=1S/C3H5FO/c1-3(4)2-5-3/h2H2,1H3InChIKey=VXRITABYMRHGKZ-UHFFFAOYSA-N19.9Ex 19.86(BP est) -91.33(MP est) ----(BP exp) ----(MP exp) FC1(C)CO1 -91.3PredN
FC1C(C)O187576.0704C3H5FO2-fluoro-3-methyloxiraneN105FC1C(C)O1InChI=1S/C3H5FO/c1-2-3(4)5-2/h2-3H,1H3InChIKey=JLAHXQDOYAFIGZ-UHFFFAOYSA-N26.2Ex 26.22(BP est) -103.54(MP est) ----(BP exp) ----(MP exp) FC1C(C)O1 -103.5PredN
OC(C1)(C1F)87676.0704C3H5FO2-fluorocyclopropan-1-olN105OC(C1)(C1F)InChI=1S/C3H5FO/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=CBGXWWCWFQGXAX-UHFFFAOYSA-N81.5Ex 81.48(BP est) -70.28(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1F) -70.3PredN
FC1OCC187776.0704C3H5FO2-fluorooxetaneN105FC1OCC1InChI=1S/C3H5FO/c4-3-1-2-5-3/h3H,1-2H2InChIKey=BJNYOCHWLQCDHC-UHFFFAOYSA-N36.3Ex 36.32(BP est) -100.23(MP est) ----(BP exp) ----(MP exp) FC1OCC1 -100.2PredN
OC(C(F)=C)87876.0704C3H5FO2-fluoroprop-2-en-1-olN105OC(C(F)=C)InChI=1S/C3H5FO/c1-3(4)2-5/h5H,1-2H2InChIKey=XEIHLEMBJXRLEI-UHFFFAOYSA-N83.8Ex 83.84(BP est) -84.30(MP est) ----(BP exp) ----(MP exp) OC(C(F)=C) -84.3PredN
C(=O)C(F)(C)87976.0704C3H5FO2-fluoropropanalN105C(=O)C(F)(C)InChI=1S/C3H5FO/c1-3(4)2-5/h2-3H,1H3InChIKey=HFURQLWNYUCPHT-UHFFFAOYSA-N46.8Ex 46.79(BP est) -104.17(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(C) -104.2PredN
FC1COC188076.0704C3H5FO3-fluorooxetaneN105FC1COC1InChI=1S/C3H5FO/c4-3-1-5-2-3/h3H,1-2H2InChIKey=ZYHRCFBHAKRMMN-UHFFFAOYSA-N52.0Ex 36.32(BP est) -100.23(MP est) ----(BP exp) ----(MP exp) FC1COC1 -100.2PredN
OC(C=CF)88176.0704C3H5FO3-fluoroprop-2-en-1-olN105OC(C=CF)InChI=1S/C3H5FO/c4-2-1-3-5/h1-2,5H,3H2InChIKey=KBARENTZGIWYMD-UHFFFAOYSA-N99.8Ex 99.79(BP est) -74.33(MP est) ----(BP exp) ----(MP exp) OC(C=CF) -74.3PredN
C(=O)C(CF)88276.0704C3H5FO3-fluoropropanalN105C(=O)C(CF)InChI=1S/C3H5FO/c4-2-1-3-5/h3H,1-2H2InChIKey=XQNMZKNFKRXLAD-UHFFFAOYSA-N62.3Ex 62.27(BP est) -92.15(MP est) ----(BP exp) ----(MP exp) C(=O)C(CF) -92.2PredN
CPCC88376.0788C3H9Pethyl(methyl)phosphaneN134CPCCInChI=1S/C3H9P/c1-3-4-2/h4H,3H2,1-2H3InChIKey=BXDCELKJGGVUHD-UHFFFAOYSA-N54.5Ex 37.49(BP est) -113.18(MP est) ----(BP exp) ----(MP exp) CPCC -113.2PredN
CC(P)C88476.0788C3H9PisopropylphosphaneN134CC(P)CInChI=1S/C3H9P/c1-3(2)4/h3H,4H2,1-2H3InChIKey=HHDLJTLPOGOXLR-UHFFFAOYSA-N44.2Ex 44.19(BP est) -110.54(MP est) ----(BP exp) ----(MP exp) CC(P)C -110.5PredN
CCCP88576.0788C3H9PpropylphosphaneN134CCCPInChI=1S/C3H9P/c1-2-3-4/h2-4H2,1H3InChIKey=NNOBHPBYUHDMQF-UHFFFAOYSA-N59.7Ex 59.73(BP est) -98.50(MP est) ----(BP exp) ----(MP exp) CCCP -98.5PredN
CP(C)C88676.0788C3H9PtrimethylphosphaneN134CP(C)CInChI=1S/C3H9P/c1-4(2)3/h1-3H3InChIKey=YWWDBCBWQNCYNR-UHFFFAOYSA-N37.5Ex 38.54(BP est) -113.56(MP est) 37.50(BP exp) -85.00(MP exp) CP(C)C -85ExptN
FC1=CS188776.0884C2HFS2-fluorothiireneN54FC1=CS1InChI=1S/C2HFS/c3-2-1-4-2/h1HInChIKey=WTEXSKOZKYYMKU-UHFFFAOYSA-N55.3Ex 55.31(BP est) -64.36(MP est) ----(BP exp) ----(MP exp) FC1=CS1 -64.4PredN
OC(OC)C88876.095C3H8O21-methoxyethan-1-olN135OC(OC)CInChI=1S/C3H8O2/c1-3(4)5-2/h3-4H,1-2H3InChIKey=GEGLCBTXYBXOJA-UHFFFAOYSA-N92.7Ex 92.70(BP est) -70.54(MP est) ----(BP exp) ----(MP exp) OC(OC)C -70.5PredN
OCCOC88976.095C3H8O22-methoxyethan-1-olN135OCCOCInChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3InChIKey=XNWFRZJHXBZDAG-UHFFFAOYSA-N124.1Ex 114.82(BP est) -56.58(MP est) 124.10(BP exp) -85.10(MP exp) OCCOC -85.1ExptY(de Lacy Costello et al. 2014)
COCOC89076.095C3H8O2dimethoxymethaneN135COCOCInChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3InChIKey=NKDDWNXOKDWJAK-UHFFFAOYSA-N42.0Ex 48.02(BP est) -95.38(MP est) 42.00(BP exp) -104.80(MP exp) COCOC -104.8ExptY(de Lacy Costello et al. 2014)
OCOCC89176.095C3H8O2ethoxymethanolN135OCOCCInChI=1S/C3H8O2/c1-2-5-3-4/h4H,2-3H2,1H3InChIKey=RRLWYLINGKISHN-UHFFFAOYSA-N114.8Ex 114.82(BP est) -56.58(MP est) ----(BP exp) ----(MP exp) OCOCC -56.6PredN
OCC(O)(C)89276.095C3H8O2propane-1,2-diolN135OCC(O)(C)InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3InChIKey=DNIAPMSPPWPWGF-UHFFFAOYSA-N187.3Ex 155.15(BP est) -33.01(MP est) 187.60(BP exp) -60.00(MP exp) OCC(O)(C) -60ExptY(Wishart et al. 2013, de Lacy Costello et al. 2014, ExPaSy 2015)
OCCC(O)89376.095C3H8O2propane-1,3-diolN135OCCC(O)InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2InChIKey=YPFDHNVEDLHUCE-UHFFFAOYSA-N213.5Ex 175.00(BP est) -19.72(MP est) 214.40(BP exp) -26.70(MP exp) OCCC(O) -26.7ExptY(Cameron et al. 1998)
C=C(C#C)C#C89476.098C6H43-methylenepenta-1,4-diyneN106C=C(C#C)C#CInChI=1S/C6H4/c1-4-6(3)5-2/h1-2H,3H2InChIKey=AGMZTYZEIYCOOL-UHFFFAOYSA-N80.4Ex 80.36(BP est) -52.15(MP est) ----(BP exp) ----(MP exp) C=C(C#C)C#C -52.2PredN
C12=CC=C1C=C289576.098C6H4bicyclo[2.2.0]hexa-1,3,5-trieneN106C12=CC=C1C=C2InChI=1S/C6H4/c1-2-6-4-3-5(1)6/h1-4HInChIKey=YHCJOCYHUDCVQI-UHFFFAOYSA-N99.6Ex 99.58(BP est) -49.81(MP est) ----(BP exp) ----(MP exp) C12=CC=C1C=C2 -49.8PredN
C=CC#CC#C89676.098C6H4hexa-1-en-3,5-diyneN106C=CC#CC#CInChI=1S/C6H4/c1-3-5-6-4-2/h1,4H,2H2InChIKey=YGUXSTHFRZRBLP-UHFFFAOYSA-N96.2Ex 96.17(BP est) -10.99(MP est) ----(BP exp) ----(MP exp) C=CC#CC#C -11PredN
C#CC=CC#C89776.098C6H4hexa-3-en-1,5-diyneN106C#CC=CC#CInChI=1S/C6H4/c1-3-5-6-4-2/h1-2,5-6HInChIKey=KIWAUQFHKHLABA-UHFFFAOYSA-N96.4Ex 96.40(BP est) -42.15(MP est) ----(BP exp) ----(MP exp) C#CC=CC#C -42.2PredN
ONCNC89876.099C2H8N2O1-(hydroxyamino)-N-methylmethanamineN135ONCNCInChI=1S/C2H8N2O/c1-3-2-4-5/h3-5H,2H2,1H3InChIKey=MGSRMGVTRKOCSZ-UHFFFAOYSA-N169.3Ex 169.28(BP est) -4.77(MP est) ----(BP exp) ----(MP exp) ONCNC -4.8PredN
CC(O)NN90076.099C2H8N2O1-hydrazineylethan-1-olN135CC(O)NNInChI=1S/C2H8N2O/c1-2(5)4-3/h2,4-5H,3H2,1H3InChIKey=VTIRNZBEJBPYCV-UHFFFAOYSA-N150.2Ex 150.24(BP est) -2.53(MP est) ----(BP exp) ----(MP exp) CC(O)NN -2.5PredN
NOCCN90176.099C2H8N2O2-(aminooxy)ethan-1-amineN135NOCCNInChI=1S/C2H8N2O/c3-1-2-5-4/h1-4H2InChIKey=MECRKILGNPUEFQ-UHFFFAOYSA-N127.8Ex 127.78(BP est) -5.58(MP est) ----(BP exp) ----(MP exp) NOCCN -5.6PredN
ONCCN90276.099C2H8N2O2-(hydroxyamino)ethan-1-amineN135ONCCNInChI=1S/C2H8N2O/c3-1-2-4-5/h4-5H,1-3H2InChIKey=JVKAWJASTRPFQY-UHFFFAOYSA-N185.6Ex 185.63(BP est) 15.30(MP est) ----(BP exp) ----(MP exp) ONCCN 15.3PredN
N=CCO90359.068C2H5NO2-iminoethan-1-olN135NC(N)COInChI=1S/C2H5NO/c3-1-2-4/h1,3-4H,2H2InChIKey=IPKVMFWHPAULEL-UHFFFAOYSA-N174.1Ex 174.06(BP est) 19.73(MP est) ----(BP exp) ----(MP exp) NC(N)CO 19.7PredN
NNCCO90476.099C2H8N2O2-hydrazineylethan-1-olN135NNCCOInChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2InChIKey=GBHCABUWWQUMAJ-UHFFFAOYSA-N220.0Ex 170.27(BP est) 10.82(MP est) 219.00(BP exp) -70.00(MP exp) NNCCO -70ExptN
O=CCS90576.113C2H4OS2-mercaptoacetaldehydeN84O=CCSInChI=1S/C2H4OS/c3-1-2-4/h1,4H,2H2InChIKey=FLJWVVUJGVNXMZ-UHFFFAOYSA-N119.9Ex 119.90(BP est) -63.03(MP est) ----(BP exp) ----(MP exp) O=CCS -63PredN
CC(O)=S90776.113C2H4OSethanethioic O-acidN84CC(O)=SInChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)InChIKey=DUYAAUVXQSMXQP-UHFFFAOYSA-N90.3Ex 127.72(BP est) -30.20(MP est) ----(BP exp) ----(MP exp) CC(O)=S -30.2PredY(de Lacy Costello et al. 2014)
O=CSC90876.113C2H4OSS-methyl methanethioateN84O=CSCInChI=1S/C2H4OS/c1-4-2-3/h2H,1H3InChIKey=LFJRGYNYRORDDM-UHFFFAOYSA-N105.8Ex 105.78(BP est) -68.18(MP est) ----(BP exp) ----(MP exp) O=CSC -68.2PredN
O=S1CC190976.113C2H4OSthiirane 1-oxideN84O=S1CC1InChI=1S/C2H4OS/c3-4-1-2-4/h1-2H2InChIKey=PCYCVCFVEKMHGA-UHFFFAOYSA-N137.0Ex 137.01(BP est) -34.41(MP est) ----(BP exp) ----(MP exp) O=S1CC1 -34.4PredN
OSC=C91076.113C2H4OSvinylsulfanolN84OSC=CInChI=1S/C2H4OS/c1-2-4-3/h2-3H,1H2InChIKey=SLAWTOLLPNIOGD-UHFFFAOYSA-N148.7Ex 148.73(BP est) -47.11(MP est) ----(BP exp) ----(MP exp) OSC=C -47.1PredN
C(C)(C)(CF)91176.1144C4H9F1-fluoro-2-methylpropaneN145C(C)(C)(CF)InChI=1S/C4H9F/c1-4(2)3-5/h4H,3H2,1-2H3InChIKey=WGCJTTUVWKJDAX-UHFFFAOYSA-N16.0Ex 5.89(BP est) -131.48(MP est) ----(BP exp) ----(MP exp) C(C)(C)(CF) -131.5PredN
C(CCCF)91276.1144C4H9F1-fluorobutaneN145C(CCCF)InChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3InChIKey=FCBJLBCGHCTPAQ-UHFFFAOYSA-N32.4Ex 22.20(BP est) -119.21(MP est) 32.50(BP exp) -134.00(MP exp) C(CCCF) -134ExptN
C(F)(C)(C)(C)91376.1144C4H9F2-fluoro-2-methylpropaneN145C(F)(C)(C)(C)InChI=1S/C4H9F/c1-4(2,3)5/h1-3H3InChIKey=GSMZLBOYBDRGBN-UHFFFAOYSA-N12.0Ex -5.02(BP est) -125.95(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(C) -126PredN
C(CC(F)C)91476.1144C4H9F2-fluorobutaneN145C(CC(F)C)InChI=1S/C4H9F/c1-3-4(2)5/h4H,3H2,1-2H3InChIKey=IXHWZHXLJJPXIS-UHFFFAOYSA-N25.0Ex 5.89(BP est) -131.48(MP est) ----(BP exp) ----(MP exp) C(CC(F)C) -131.5PredN
NC(N)=S91576.117CH4N2SthioureaN84NC(N)=SInChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)InChIKey=UMGDCJDMYOKAJW-UHFFFAOYSA-N263.0Ex 157.86(BP est) 25.82(MP est) ----(BP exp) 182.00(MP exp) NC(N)=S 182ExptY(DNP 2017)
S=C=S91676.131CS2carbon disulfideN33S=C=SInChI=1S/CS2/c2-1-3InChIKey=QGJOPFRUJISHPQ-UHFFFAOYSA-N46.2Ex 34.75(BP est) -77.02(MP est) 46.00(BP exp) -111.50(MP exp) S=C=S -111.5ExptY(Papaleo et al. 2013)
CSCC91776.157C3H8Sethyl(methyl)sulfaneN124CSCCInChI=1S/C3H8S/c1-3-4-2/h3H2,1-2H3InChIKey=WXEHBUMAEPOYKP-UHFFFAOYSA-N66.3Ex 68.17(BP est) -94.52(MP est) 66.70(BP exp) -105.90(MP exp) CSCC -105.9ExptN
SCCC91876.157C3H8Spropane-1-thiolN124SCCCInChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3InChIKey=SUVIGLJNEAMWEG-UHFFFAOYSA-N67.3Ex 83.12(BP est) -89.13(MP est) 67.80(BP exp) -113.30(MP exp) SCCC -113.3ExptY(Irwin et al. 2012, DNP 2017)
SC(C)C91976.157C3H8Spropane-2-thiolN124SC(C)CInChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3InChIKey=KJRCEJOSASVSRA-UHFFFAOYSA-N52.1Ex 68.10(BP est) -101.01(MP est) 52.50(BP exp) -130.50(MP exp) SC(C)C -130.5ExptY(Irwin et al. 2012)
ClC1=CO192276.479C2HClO2-chlorooxireneN54ClC1=CO1InChI=1S/C2HClO/c3-2-1-4-2/h1HInChIKey=KLOJQBBNGMONKX-UHFFFAOYSA-N53.1Ex 53.12(BP est) -75.78(MP est) ----(BP exp) ----(MP exp) ClC1=CO1 -75.8PredN
CC=CCl92376.523C3H5Cl1-chloroprop-1-eneN94CC=CClInChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3InChIKey=OWXJKYNZGFSVRC-UHFFFAOYSA-N32.2Ex 40.99(BP est) -107.24(MP est) 37.40(BP exp) -99.00(MP exp) CC=CCl -99ExptN
CC(Cl)=C92476.523C3H5Cl2-chloroprop-1-eneN94CC(Cl)=CInChI=1S/C3H5Cl/c1-3(2)4/h1H2,2H3InChIKey=PNLQPWWBHXMFCA-UHFFFAOYSA-N22.3Ex 23.65(BP est) -117.62(MP est) 22.60(BP exp) -137.40(MP exp) CC(Cl)=C -137.4ExptN
ClCC=C92576.523C3H5Cl3-chloroprop-1-eneN94ClCC=CInChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2InChIKey=OSDWBNJEKMUWAV-UHFFFAOYSA-N45.0Ex 61.52(BP est) -99.58(MP est) 45.10(BP exp) -134.50(MP exp) ClCC=C -134.5ExptN
ClC1CC192676.523C3H5ClchlorocyclopropaneN94ClC1CC1InChI=1S/C3H5Cl/c4-3-1-2-3/h3H,1-2H2InChIKey=VEZNCHDBSQWUHQ-UHFFFAOYSA-N43.2Ex 53.83(BP est) -91.98(MP est) ----(BP exp) ----(MP exp) ClC1CC1 -92PredN
B1=CC=CC=N192876.893C4H4BN1,2-azaborinineN106B1=CC=CC=N1InChI=1S/C4H4BN/c1-2-4-6-5-3-1/h1-4HInChIKey=KCQLSIKUOYWBAO-UHFFFAOYSA-N87.7Ex 87.72(BP est) -53.59(MP est) ----(BP exp) ----(MP exp) B1=CC=CC=N1 -53.6PredN
CNP=O93077.0228CH4NOPN-methyloxophosphanyl amideN84CNP=OInChI=1S/CH4NOP/c1-2-4-3/h1H3,(H,2,3)InChIKey=SOJAZIICKSULOS-UHFFFAOYSA-N105.5Ex 105.50(BP est) -52.58(MP est) ----(BP exp) ----(MP exp) CNP=O -52.6PredN
FC(N1)=C1F93177.0338C2HF2N2,3-difluoro-1H-azirineN65FC(N1)=C1FInChI=1S/C2HF2N/c3-1-2(4)5-1/h5HInChIKey=RGNYKUQWBGAUSK-UHFFFAOYSA-N51.9Ex 51.91(BP est) -45.01(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1F -45PredN
O=[N+]([O-])OC93277.039CH3NO3methyl nitrateN85O=[N+]([O-])OCInChI=1S/CH3NO3/c1-5-2(3)4/h1H3InChIKey=LRMHVVPPGGOAJQ-UHFFFAOYSA-N65.7Ex 62.30(BP est) -89.02(MP est) 64.60(BP exp) -82.50(MP exp) O=[N+]([O-])OC -82.5ExptY(Novak et al. 2007)
FCC(N)=O93377.0584C2H4FNO2-fluoroacetamideN95FCC(N)=OInChI=1S/C2H4FNO/c3-1-2(4)5/h1H2,(H2,4,5)InChIKey=FVTWJXMFYOXOKK-UHFFFAOYSA-N179.5Ex 179.46(BP est) 12.05(MP est) ----(BP exp) 108.00(MP exp) FCC(N)=O 108ExptN
FC1N(O)C193477.0584C2H4FNO2-fluoroaziridin-1-olN95FC1N(O)C1InChI=1S/C2H4FNO/c3-2-1-4(2)5/h2,5H,1H2InChIKey=OKDUJGPYVREWHO-UHFFFAOYSA-N183.4Ex 183.42(BP est) -2.96(MP est) ----(BP exp) ----(MP exp) FC1N(O)C1 -3PredN
FC1NOC193577.0584C2H4FNO3-fluoro-1,2-oxazetidineN95FC1NOC1InChI=1S/C2H4FNO/c3-2-1-5-4-2/h2,4H,1H2InChIKey=LZDUOQKRVWMNGZ-UHFFFAOYSA-N77.6Ex 77.58(BP est) -41.31(MP est) ----(BP exp) ----(MP exp) FC1NOC1 -41.3PredN
FC1CNO193677.0584C2H4FNO4-fluoro-1,2-oxazetidineN95FC1CNO1InChI=1S/C2H4FNO/c3-2-1-4-5-2/h2,4H,1H2InChIKey=XBEKWUDNFXBVOO-UHFFFAOYSA-N77.6Ex 77.58(BP est) -41.31(MP est) ----(BP exp) ----(MP exp) FC1CNO1 -41.3PredN
FC(NO)=C93777.0584C2H4FNON-(1-fluorovinyl)hydroxylamineN95FC(NO)=CInChI=1S/C2H4FNO/c1-2(3)4-5/h4-5H,1H2InChIKey=VJHXZPMNEAIMDT-UHFFFAOYSA-N122.2Ex 122.20(BP est) -52.41(MP est) ----(BP exp) ----(MP exp) FC(NO)=C -52.4PredN
NOC(F)=C93877.0584C2H4FNOO-(1-fluorovinyl)hydroxylamineN95NOC(F)=CInChI=1S/C2H4FNO/c1-2(3)5-4/h1,4H2InChIKey=WOTXSVSNXOSKBO-UHFFFAOYSA-N57.4Ex 57.36(BP est) -75.33(MP est) ----(BP exp) ----(MP exp) NOC(F)=C -75.3PredN
NOC=CF93977.0584C2H4FNOO-(2-fluorovinyl)hydroxylamineN95NOC=CFInChI=1S/C2H4FNO/c3-1-2-5-4/h1-2H,4H2InChIKey=MOEVMBKVVYSKAC-UHFFFAOYSA-N73.9Ex 73.94(BP est) -65.17(MP est) ----(BP exp) ----(MP exp) NOC=CF -65.2PredN
NCCP94077.0668C2H8NP2-phosphaneylethan-1-amineN124NCCPInChI=1S/C2H8NP/c3-1-2-4/h1-4H2InChIKey=LJASZMIARXGOCH-UHFFFAOYSA-N100.6Ex 100.60(BP est) -50.58(MP est) ----(BP exp) ----(MP exp) NCCP -50.6PredN
NP(C)C94177.0668C2H8NPdimethylphosphanamineN124NP(C)CInChI=1S/C2H8NP/c1-4(2)3/h3H2,1-2H3InChIKey=WTGIKPFXWZGKHW-UHFFFAOYSA-N80.6Ex 80.64(BP est) -65.27(MP est) ----(BP exp) ----(MP exp) NP(C)C -65.3PredN
N(P)(C)C94277.0668C2H8NPN,N-dimethylphosphanamineN124N(P)(C)CInChI=1S/C2H8NP/c1-3(2)4/h4H2,1-2H3InChIKey=KCXYZMFPZHYUFO-UHFFFAOYSA-N59.0Ex 59.01(BP est) -88.11(MP est) ----(BP exp) ----(MP exp) N(P)(C)C -88.1PredN
NOCCO94377.083C2H7NO22-(aminooxy)ethan-1-olN125NOCCOInChI=1S/C2H7NO2/c3-5-2-1-4/h4H,1-3H2InChIKey=WWWTWPXKLJTKPM-UHFFFAOYSA-N152.3Ex 152.34(BP est) -9.63(MP est) ----(BP exp) ----(MP exp) NOCCO -9.6PredN
C#C\C=C\C#N94477.086C5H3Npent-2-en-4-ynenitrileN96C#C\C=C\C#NInChI=1S/C5H3N/c1-2-3-4-5-6/h1,3-4HInChIKey=ZXFTWPNQZKQCAL-UHFFFAOYSA-N157.5Ex 157.50(BP est) -20.93(MP est) ----(BP exp) ----(MP exp) C#C\C=C\C#N -20.9PredN
C=CC#CC#N94577.086C5H3Npent-4-en-2-ynenitrileN96C=CC#CC#NInChI=1S/C5H3N/c1-2-3-4-5-6/h2H,1H2InChIKey=BPOCYUQIEPMXJL-UHFFFAOYSA-N157.3Ex 157.29(BP est) 10.23(MP est) ----(BP exp) ----(MP exp) C=CC#CC#N 10.2PredN
CN=S=O94677.101CH3NOS(methylimino)-lambda4-sulfanoneN74CN=S=OInChI=1S/CH3NOS/c1-2-4-3/h1H3InChIKey=BLQMATAQOCZTSN-UHFFFAOYSA-N53.0Ex 137.40(BP est) -44.60(MP est) ----(BP exp) ----(MP exp) CN=S=O -44.6PredN
C(=O)NS94777.101CH3NOSN-mercaptoformamideN74C(=O)NSInChI=1S/CH3NOS/c3-1-2-4/h1,4H,(H,2,3)InChIKey=HLEXZWRJZDYQHW-UHFFFAOYSA-N222.1Ex 222.13(BP est) 42.17(MP est) ----(BP exp) ----(MP exp) C(=O)NS 42.2PredN
O=NSC94877.101CH3NOSS-methyl nitrothioiteN74O=NSCInChI=1S/CH3NOS/c1-4-2-3/h1H3InChIKey=SNTSCLGUSUAXSO-UHFFFAOYSA-N52.1Ex 52.09(BP est) -54.80(MP est) ----(BP exp) ----(MP exp) O=NSC -54.8PredN
CN(C)C(F)94977.1024C3H8FN1-fluoro-N,N-dimethylmethanamineN135CN(C)C(F)InChI=1S/C3H8FN/c1-5(2)3-4/h3H2,1-2H3InChIKey=SXFWINIWVYBVKW-UHFFFAOYSA-N21.5Ex 21.45(BP est) -108.83(MP est) ----(BP exp) ----(MP exp) CN(C)C(F) -108.8PredN
CNC(F)(C)95077.1024C3H8FN1-fluoro-N-methylethan-1-amineN135CNC(F)(C)InChI=1S/C3H8FN/c1-3(4)5-2/h3,5H,1-2H3InChIKey=JTQUVPCHPFBBFO-UHFFFAOYSA-N29.3Ex 29.32(BP est) -103.94(MP est) ----(BP exp) ----(MP exp) CNC(F)(C) -103.9PredN
NC(F)(CC)95177.1024C3H8FN1-fluoropropan-1-amineN135NC(F)(CC)InChI=1S/C3H8FN/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=CTQXVXCKVOHUNQ-UHFFFAOYSA-N49.8Ex 49.81(BP est) -82.66(MP est) ----(BP exp) ----(MP exp) NC(F)(CC) -82.7PredN
NC(C)(CF)95277.1024C3H8FN1-fluoropropan-2-amineN135NC(C)(CF)InChI=1S/C3H8FN/c1-3(5)2-4/h3H,2,5H2,1H3InChIKey=IRQOJWDMOUIHNR-UHFFFAOYSA-N49.8Ex 49.81(BP est) -82.66(MP est) ----(BP exp) ----(MP exp) NC(C)(CF) -82.7PredN
CNC(CF)95377.1024C3H8FN2-fluoro-N-methylethan-1-amineN135CNC(CF)InChI=1S/C3H8FN/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=PDSWHCYJSJFEKD-UHFFFAOYSA-N45.2Ex 45.16(BP est) -91.82(MP est) ----(BP exp) ----(MP exp) CNC(CF) -91.8PredN
NC(C(F)C)95477.1024C3H8FN2-fluoropropan-1-amineN135NC(C(F)C)InChI=1S/C3H8FN/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=FCZZMLAMPPXMOZ-UHFFFAOYSA-N49.8Ex 49.81(BP est) -82.66(MP est) ----(BP exp) ----(MP exp) NC(C(F)C) -82.7PredN
NC(F)(C)(C)95577.1024C3H8FN2-fluoropropan-2-amineN135NC(F)(C)(C)InChI=1S/C3H8FN/c1-3(2,4)5/h5H2,1-2H3InChIKey=JFEYJZRSGNSKBR-UHFFFAOYSA-N39.5Ex 39.49(BP est) -76.96(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(C) -77PredN
NC(CCF)95677.1024C3H8FN3-fluoropropan-1-amineN135NC(CCF)InChI=1S/C3H8FN/c4-2-1-3-5/h1-3,5H2InChIKey=YTHVGJSPULXGNY-UHFFFAOYSA-N65.2Ex 65.22(BP est) -70.66(MP est) ----(BP exp) ----(MP exp) NC(CCF) -70.7PredN
C(F)NC(C)95777.1024C3H8FNN-(fluoromethyl)ethanamineN135C(F)NC(C)InChI=1S/C3H8FN/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=IHBPQXSQYBMLMN-UHFFFAOYSA-N45.2Ex 45.16(BP est) -91.82(MP est) ----(BP exp) ----(MP exp) C(F)NC(C) -91.8PredN
NCSC95977.145C2H7NS(methylthio)methanamineN114NCSCInChI=1S/C2H7NS/c1-4-2-3/h2-3H2,1H3InChIKey=GIUSULMFLHCHML-UHFFFAOYSA-N108.6Ex 108.55(BP est) -46.74(MP est) ----(BP exp) ----(MP exp) NCSC -46.7PredN
CC=N96043.069C2H5NethanimineN114CC(N)SInChI=1S/C2H5N/c1-2-3/h2-3H,1H3InChIKey=MPAYEWNVIPXRDP-UHFFFAOYSA-N108.5Ex 108.48(BP est) -53.23(MP est) ----(BP exp) ----(MP exp) CC(N)S -53.2PredN
SCCN96177.145C2H7NS2-aminoethane-1-thiolN114SCCNInChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2InChIKey=UFULAYFCSOUIOV-UHFFFAOYSA-N122.6Ex 122.61(BP est) -41.61(MP est) ----(BP exp) 98.00(MP exp) SCCN 98ExptY(Wishart et al. 2013)
CN(C)S96277.145C2H7NSN,N-dimethylthiohydroxylamineN114CN(C)SInChI=1S/C2H7NS/c1-3(2)4/h4H,1-2H3InChIKey=JKTHTZCPLANQBH-UHFFFAOYSA-N82.4Ex 82.43(BP est) -78.73(MP est) ----(BP exp) ----(MP exp) CN(C)S -78.7PredN
S(NC)C96377.145C2H7NSN,S-dimethylthiohydroxylamineN114S(NC)CInChI=1S/C2H7NS/c1-3-4-2/h3H,1-2H3InChIKey=QMOJLJDGQRKGLY-UHFFFAOYSA-N89.7Ex 89.74(BP est) -67.53(MP est) ----(BP exp) ----(MP exp) S(NC)C -67.5PredN
CCNS96477.145C2H7NSN-ethylthiohydroxylamineN114CCNSInChI=1S/C2H7NS/c1-2-3-4/h3-4H,2H2,1H3InChIKey=MEQDIPURSAWTJD-UHFFFAOYSA-N104.2Ex 104.22(BP est) -62.27(MP est) ----(BP exp) ----(MP exp) CCNS -62.3PredN
CCSN96577.145C2H7NSS-ethylthiohydroxylamineN114CCSNInChI=1S/C2H7NS/c1-2-4-3/h2-3H2,1H3InChIKey=WDSFCZDGCAXRDY-UHFFFAOYSA-N108.6Ex 108.55(BP est) -46.74(MP est) ----(BP exp) ----(MP exp) CCSN -46.7PredN
ClC1CN196677.511C2H4ClN2-chloroaziridineN84ClC1CN1InChI=1S/C2H4ClN/c3-2-1-4-2/h2,4H,1H2InChIKey=BSIAPOGXYMEOON-UHFFFAOYSA-N94.1Ex 94.11(BP est) -33.34(MP est) ----(BP exp) ----(MP exp) ClC1CN1 -33.3PredN
FB(F)CC96877.8688C2H5BF2ethyldifluoroboraneN105FB(F)CCInChI=1S/C2H5BF2/c1-2-3(4)5/h2H2,1H3InChIKey=LYUQNYXHNCJGBN-UHFFFAOYSA-N-25.0Ex -31.86(BP est) -151.66(MP est) ----(BP exp) ----(MP exp) FB(F)CC -151.7PredN
B=C1N=CC=N197177.881C3H3BN22-boraneylidene-2H-imidazoleN96B=C1N=CC=N1InChI=1S/C3H3BN2/c4-3-5-1-2-6-3/h1-2,4HInChIKey=JXLKLLFKSHJJCZ-UHFFFAOYSA-N103.4Ex 103.37(BP est) -4.44(MP est) ----(BP exp) ----(MP exp) B=C1N=CC=N1 -4.4PredN
O=POC97478.0068CH3O2Pmethyl phospheniteN74O=POCInChI=1S/CH3O2P/c1-3-4-2/h1H3InChIKey=XKCQASMZNPBLKI-UHFFFAOYSA-N85.4Ex 85.40(BP est) -73.66(MP est) ----(BP exp) ----(MP exp) O=POC -73.7PredN
FC(O1)=C1F97678.0178C2F2O2,3-difluorooxireneN55FC(O1)=C1FInChI=1S/C2F2O/c3-1-2(4)5-1InChIKey=KBAXTKNCCJSNJP-UHFFFAOYSA-N16.5Ex 16.49(BP est) -94.58(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1F -94.6PredN
PC(F)=C97778.0262C2H4FP(1-fluorovinyl)phosphaneN84PC(F)=CInChI=1S/C2H4FP/c1-2(3)4/h1,4H2InChIKey=NFOHCGLBELUSDA-UHFFFAOYSA-N27.2Ex 27.16(BP est) -121.21(MP est) ----(BP exp) ----(MP exp) PC(F)=C -121.2PredN
PC=CF97878.0262C2H4FP(2-fluorovinyl)phosphaneN84PC=CFInChI=1S/C2H4FP/c3-1-2-4/h1-2H,4H2InChIKey=LTLRGATXCZPCGI-UHFFFAOYSA-N44.4Ex 44.42(BP est) -110.85(MP est) ----(BP exp) ----(MP exp) PC=CF -110.9PredN
FC1CP197978.0262C2H4FP2-fluorophosphiraneN84FC1CP1InChI=1S/C2H4FP/c3-2-1-4-2/h2,4H,1H2InChIKey=MEFCJVJULPGLAX-UHFFFAOYSA-N15.5Ex 15.54(BP est) -114.20(MP est) ----(BP exp) ----(MP exp) FC1CP1 -114.2PredN
[O-][N+](=O)NO98078.027H2N2O3N-hydroxynitramideN75[O-][N+](=O)NOInChI=1S/H2N2O3/c3-1-2(4)5/h1,3HInChIKey=BUIMWOLDCCGZKZ-UHFFFAOYSA-N156.6Ex 567.08(BP est) 243.93(MP est) ----(BP exp) ----(MP exp) [O-][N+](=O)NO 243.9PredN
[O-][N+](=O)ON98178.027H2N2O3O-nitrohydroxylamineN75[O-][N+](=O)ONInChI=1S/H2N2O3/c1-5-2(3)4/h1H2InChIKey=CTWJWSQXAFDUCV-UHFFFAOYSA-N121.9Ex 522.25(BP est) 207.27(MP est) ----(BP exp) ----(MP exp) [O-][N+](=O)ON 207.3PredN
OC(=O)C(F)98278.0424C2H3FO22-fluoroacetic acidN85OC(=O)C(F)InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)InChIKey=QEWYKACRFQMRMB-UHFFFAOYSA-N165.4Ex 124.56(BP est) -20.30(MP est) 168.00(BP exp) 35.20(MP exp) OC(=O)C(F) 35.2ExptY(Murphy 2003)
NC(NF)=O98378.0464CH3FN2O1-fluoroureaN85NC(NF)=OInChI=1S/CH3FN2O/c2-4-1(3)5/h(H3,3,4,5)InChIKey=HSZCIIHXQDBPOI-UHFFFAOYSA-N158.2Ex 158.18(BP est) 21.13(MP est) ----(BP exp) ----(MP exp) NC(NF)=O 21.1PredN
OCCP98478.0508C2H7OP2-phosphaneylethan-1-olN114OCCPInChI=1S/C2H7OP/c3-1-2-4/h3H,1-2,4H2InChIKey=CKFRJFUTYHQHCA-UHFFFAOYSA-N145.0Ex 126.31(BP est) -54.29(MP est) ----(BP exp) ----(MP exp) OCCP -54.3PredN
O=P(C)C98578.0508C2H7OPdimethylphosphine oxideN114O=P(C)CInChI=1S/C2H7OP/c1-4(2)3/h4H,1-2H3InChIKey=HGDIHUZVQPKSMO-UHFFFAOYSA-N82.2Ex 82.17(BP est) -88.27(MP est) ----(BP exp) ----(MP exp) O=P(C)C -88.3PredN
CPOC98878.0508C2H7OPmethoxy(methyl)phosphaneN114CPOCInChI=1S/C2H7OP/c1-3-4-2/h4H,1-2H3InChIKey=YAWLOYUUBJPJFH-UHFFFAOYSA-N38.5Ex 38.51(BP est) -107.40(MP est) ----(BP exp) ----(MP exp) CPOC -107.4PredN
C(C1)(C1(F)F)98978.0618C3H4F21,1-difluorocyclopropaneN95C(C1)(C1(F)F)InChI=1S/C3H4F2/c4-3(5)1-2-3/h1-2H2InChIKey=GPCDGGKVBPVZCT-UHFFFAOYSA-N-12.3Ex -12.27(BP est) -113.70(MP est) ----(BP exp) ----(MP exp) C(C1)(C1(F)F) -113.7PredN
C(C=C(F)F)99078.0618C3H4F21,1-difluoroprop-1-eneN95C(C=C(F)F)InChI=1S/C3H4F2/c1-2-3(4)5/h2H,1H3InChIKey=YHLIEGBCOUQKHU-UHFFFAOYSA-N-3.2Ex -1.37(BP est) -140.96(MP est) ----(BP exp) ----(MP exp) C(C=C(F)F) -141PredN
C(C1F)(C1F)99178.0618C3H4F21,2-difluorocyclopropaneN95C(C1F)(C1F)InChI=1S/C3H4F2/c4-2-1-3(2)5/h2-3H,1H2InChIKey=KFGHUDYAMNUDEI-UHFFFAOYSA-N-5.7Ex -5.65(BP est) -125.83(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1F) -125.8PredN
C(C(F)=CF)99278.0618C3H4F21,2-difluoroprop-1-eneN95C(C(F)=CF)InChI=1S/C3H4F2/c1-3(5)2-4/h2H,1H3InChIKey=HJISFKJQGKPWFE-UHFFFAOYSA-N-1.4Ex -1.37(BP est) -140.96(MP est) ----(BP exp) ----(MP exp) C(C(F)=CF) -141PredN
C(F)(C=CF)99378.0618C3H4F21,3-difluoroprop-1-eneN95C(F)(C=CF)InChI=1S/C3H4F2/c4-2-1-3-5/h1-2H,3H2InChIKey=INPRTAFPJCUIBZ-UHFFFAOYSA-N6.1Ex 6.13(BP est) -131.79(MP est) ----(BP exp) ----(MP exp) C(F)(C=CF) -131.8PredN
C(F)(C(F)=C)99478.0618C3H4F22,3-difluoroprop-1-eneN95C(F)(C(F)=C)InChI=1S/C3H4F2/c1-3(5)2-4/h1-2H2InChIKey=SGGPUNTZIKXDMQ-UHFFFAOYSA-N-12.0Ex -11.99(BP est) -142.40(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)=C) -142.4PredN
C(F)(F)(C=C)99578.0618C3H4F23,3-difluoroprop-1-eneN95C(F)(F)(C=C)InChI=1S/C3H4F2/c1-2-3(4)5/h2-3H,1H2InChIKey=BUMFHKJRHRUGNU-UHFFFAOYSA-N-21.3Ex -21.25(BP est) -145.62(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C=C) -145.6PredN
OCOCO99978.067C2H6O3oxydimethanolN115OCOCOInChI=1S/C2H6O3/c3-1-5-2-4/h3-4H,1-2H2InChIKey=ARZLUCYKIWYSHR-UHFFFAOYSA-N175.8Ex 175.81(BP est) -14.00(MP est) ----(BP exp) ----(MP exp) OCOCO -14PredN
C#CC(=O)C#C100078.07C5H2Openta-1,4-diyn-3-oneN86C#CC(=O)C#CInChI=1S/C5H2O/c1-3-5(6)4-2/h1-2HInChIKey=HQQULPUXSRHOGE-UHFFFAOYSA-N111.8Ex 111.80(BP est) -15.78(MP est) ----(BP exp) ----(MP exp) C#CC(=O)C#C -15.8PredN
O=CC#CC#C100178.07C5H2Openta-2,4-diynalN86O=CC#CC#CInChI=1S/C5H2O/c1-2-3-4-5-6/h1,5HInChIKey=MHIQSTHHVCANOT-UHFFFAOYSA-N133.9Ex 133.90(BP est) 16.27(MP est) ----(BP exp) ----(MP exp) O=CC#CC#C 16.3PredN
NOCON100478.071CH6N2O2O,O'-methylenebis(hydroxylamine)N115NOCONInChI=1S/CH6N2O2/c2-4-1-5-3/h1-3H2InChIKey=QZCQVXPUVDYUER-UHFFFAOYSA-N128.7Ex 128.67(BP est) 0.16(MP est) ----(BP exp) ----(MP exp) NOCON 0.2PredN
C=C(C#N)C#N100578.074C4H2N22-methylenemalononitrileN86C=C(C#N)C#NInChI=1S/C4H2N2/c1-4(2-5)3-6/h1H2InChIKey=FCYVWWWTHPPJII-UHFFFAOYSA-N199.3Ex 199.32(BP est) -10.67(MP est) ----(BP exp) ----(MP exp) C=C(C#N)C#N -10.7PredN
[C-]#[N+]C=CC#N100678.074C4H2N23-isocyanoacrylonitrileN86C#NC=CC#NInChI=1S/C4H2N2/c1-6-4-2-3-5/h2,4HInChIKey=RNMDRXDKTVYDKM-UHFFFAOYSA-N106.1Ex 106.06(BP est) -62.52(MP est) ----(BP exp) ----(MP exp) C#NC=CC#N -62.5PredN
N#C/C=C/C#N100778.074C4H2N2but-2-enedinitrileN86N#C/C=C/C#NInChI=1S/C4H2N2/c5-3-1-2-4-6/h1-2HInChIKey=KYPOHTVBFVELTG-UHFFFAOYSA-N190.7Ex 212.20(BP est) -1.59(MP est) 186.00(BP exp) 96.80(MP exp) N#C/C=C/C#N 96.8ExptN
C(F)OC(C)100878.0864C3H7FO(fluoromethoxy)ethaneN125C(F)OC(C)InChI=1S/C3H7FO/c1-2-5-3-4/h2-3H2,1H3InChIKey=OWOAQEYGZIZVRW-UHFFFAOYSA-N23.2Ex 23.24(BP est) -113.43(MP est) ----(BP exp) ----(MP exp) C(F)OC(C) -113.4PredN
COC(F)(C)100978.0864C3H7FO1-fluoro-1-methoxyethaneN125COC(F)(C)InChI=1S/C3H7FO/c1-3(4)5-2/h3H,1-2H3InChIKey=GTUAUXZZLZAEMZ-UHFFFAOYSA-N7.0Ex 6.95(BP est) -125.69(MP est) ----(BP exp) ----(MP exp) COC(F)(C) -125.7PredN
COC(CF)101078.0864C3H7FO1-fluoro-2-methoxyethaneN125COC(CF)InChI=1S/C3H7FO/c1-5-3-2-4/h2-3H2,1H3InChIKey=FQVSGUBAZSXHFZ-UHFFFAOYSA-N36.0Ex 23.24(BP est) -113.43(MP est) ----(BP exp) ----(MP exp) COC(CF) -113.4PredN
OC(F)(CC)101178.0864C3H7FO1-fluoropropan-1-olN125OC(F)(CC)InChI=1S/C3H7FO/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=MPAGPTVGKNCYOW-UHFFFAOYSA-N69.4Ex 69.44(BP est) -88.15(MP est) ----(BP exp) ----(MP exp) OC(F)(CC) -88.2PredN
OC(C)(CF)101278.0864C3H7FO1-fluoropropan-2-olN125OC(C)(CF)InChI=1S/C3H7FO/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=WPUWNCWLDZMYSC-UHFFFAOYSA-N69.4Ex 69.44(BP est) -88.15(MP est) ----(BP exp) ----(MP exp) OC(C)(CF) -88.2PredN
OC(C(F)C)101378.0864C3H7FO2-fluoropropan-1-olN125OC(C(F)C)InChI=1S/C3H7FO/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=WKXZJCKWUCBECD-UHFFFAOYSA-N77.5Ex 77.52(BP est) -85.79(MP est) ----(BP exp) ----(MP exp) OC(C(F)C) -85.8PredN
OC(F)(C)(C)101478.0864C3H7FO2-fluoropropan-2-olN125OC(F)(C)(C)InChI=1S/C3H7FO/c1-3(2,4)5/h5H,1-2H3InChIKey=AXUYQDCVKHKQOW-UHFFFAOYSA-N47.4Ex 47.39(BP est) -85.88(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(C) -85.9PredN
OC(CCF)101578.0864C3H7FO3-fluoropropan-1-olN125OC(CCF)InChI=1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2InChIKey=NLRJUIXKEMCEOH-UHFFFAOYSA-N127.8Ex 92.34(BP est) -73.96(MP est) 127.80(BP exp) ----(MP exp) OC(CCF) -74PredN
NNC(F)(C)101678.0904C2H7FN2(1-fluoroethyl)hydrazineN125NNC(F)(C)InChI=1S/C2H7FN2/c1-2(3)5-4/h2,5H,4H2,1H3InChIKey=NRGMWHLTKILFOU-UHFFFAOYSA-N71.9Ex 71.94(BP est) -55.50(MP est) ----(BP exp) ----(MP exp) NNC(F)(C) -55.5PredN
NNC(CF)101778.0904C2H7FN2(2-fluoroethyl)hydrazineN125NNC(CF)InChI=1S/C2H7FN2/c3-1-2-5-4/h5H,1-2,4H2InChIKey=AZCCTQYOEYFRAK-UHFFFAOYSA-N86.9Ex 86.88(BP est) -43.64(MP est) ----(BP exp) ----(MP exp) NNC(CF) -43.6PredN
CN(C(F))N101878.0904C2H7FN21-(fluoromethyl)-1-methylhydrazineN125CN(C(F))NInChI=1S/C2H7FN2/c1-5(4)2-3/h2,4H2,1H3InChIKey=RMWPLZXYBAWMRV-UHFFFAOYSA-N64.5Ex 64.51(BP est) -60.27(MP est) ----(BP exp) ----(MP exp) CN(C(F))N -60.3PredN
CNNC(F)101978.0904C2H7FN21-(fluoromethyl)-2-methylhydrazineN125CNNC(F)InChI=1S/C2H7FN2/c1-4-5-2-3/h4-5H,2H2,1H3InChIKey=BVBQBBBBGDMPPG-UHFFFAOYSA-N67.4Ex 67.43(BP est) -64.62(MP est) ----(BP exp) ----(MP exp) CNNC(F) -64.6PredN
FC1CS1102078.1044C2H3FS2-fluorothiiraneN74FC1CS1InChI=1S/C2H3FS/c3-2-1-4-2/h2H,1H2InChIKey=OCIWZFIZUIEPEL-UHFFFAOYSA-N46.7Ex 46.66(BP est) -75.65(MP est) ----(BP exp) ----(MP exp) FC1CS1 -75.7PredN
C#CCC1=CC1102178.114C6H61-(prop-2-yn-1-yl)cycloprop-1-eneN126C#CCC1=CC1InChI=1S/C6H6/c1-2-3-6-4-5-6/h1,4H,3,5H2InChIKey=GDDHUZRIXCSPTE-UHFFFAOYSA-N92.7Ex 92.67(BP est) -46.45(MP est) ----(BP exp) ----(MP exp) C#CCC1=CC1 -46.5PredN
CC(C1)=C1C#C102278.114C6H61-ethynyl-2-methylcycloprop-1-eneN126CC(C1)=C1C#CInChI=1S/C6H6/c1-3-6-4-5(6)2/h1H,4H2,2H3InChIKey=HBNHNVNWDFKMTD-UHFFFAOYSA-N90.6Ex 90.58(BP est) -40.80(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1C#C -40.8PredN
C#CC1=CC1C102378.114C6H61-ethynyl-3-methylcycloprop-1-eneN126C#CC1=CC1CInChI=1S/C6H6/c1-3-6-4-5(6)2/h1,4-5H,2H3InChIKey=FHVRARPJKLHAAS-UHFFFAOYSA-N85.6Ex 85.59(BP est) -50.64(MP est) ----(BP exp) ----(MP exp) C#CC1=CC1C -50.6PredN
C#CC1=CCC1102478.114C6H61-ethynylcyclobut-1-eneN126C#CC1=CCC1InChI=1S/C6H6/c1-2-6-4-3-5-6/h1,4H,3,5H2InChIKey=IOLBCXKHPWXHEC-UHFFFAOYSA-N94.9Ex 94.90(BP est) -47.56(MP est) ----(BP exp) ----(MP exp) C#CC1=CCC1 -47.6PredN
C#CCC1C=C1102578.114C6H63-(prop-2-yn-1-yl)cycloprop-1-eneN126C#CCC1C=C1InChI=1S/C6H6/c1-2-3-6-4-5-6/h1,4-6H,3H2InChIKey=MNINKYKPVYHYIY-UHFFFAOYSA-N87.7Ex 87.70(BP est) -56.28(MP est) ----(BP exp) ----(MP exp) C#CCC1C=C1 -56.3PredN
CC1=CC1C#C102678.114C6H63-ethynyl-1-methylcycloprop-1-eneN126CC1=CC1C#CInChI=1S/C6H6/c1-3-6-4-5(6)2/h1,4,6H,2H3InChIKey=WMJJXXYCRIREET-UHFFFAOYSA-N85.6Ex 85.59(BP est) -50.64(MP est) ----(BP exp) ----(MP exp) CC1=CC1C#C -50.6PredN
CC1(C#C)C=C1102778.114C6H63-ethynyl-3-methylcycloprop-1-eneN126CC1(C#C)C=C1InChI=1S/C6H6/c1-3-6(2)4-5-6/h1,4-5H,2H3InChIKey=UXUVHZNJGNNCBK-UHFFFAOYSA-N74.7Ex 74.65(BP est) -48.14(MP est) ----(BP exp) ----(MP exp) CC1(C#C)C=C1 -48.1PredN
C#CC1C=CC1102878.114C6H63-ethynylcyclobut-1-eneN126C#CC1C=CC1InChI=1S/C6H6/c1-2-6-4-3-5-6/h1,3-4,6H,5H2InChIKey=OWLYIXSTMANMPO-UHFFFAOYSA-N89.9Ex 89.94(BP est) -57.39(MP est) ----(BP exp) ----(MP exp) C#CC1C=CC1 -57.4PredN
C=C(C#C)C=C102978.114C6H63-methylenepent-1-en-4-yneN126C=C(C#C)C=CInChI=1S/C6H6/c1-4-6(3)5-2/h1,5H,2-3H2InChIKey=MDCQHVMMIFCHAK-UHFFFAOYSA-N69.7Ex 69.74(BP est) -79.62(MP est) ----(BP exp) ----(MP exp) C=C(C#C)C=C -79.6PredN
CC(C#C)C#C103078.114C6H63-methylpenta-1,4-diyneN126CC(C#C)C#CInChI=1S/C6H6/c1-4-6(3)5-2/h1-2,6H,3H3InChIKey=IIRXCFIWJAELDL-UHFFFAOYSA-N74.0Ex 74.01(BP est) -53.64(MP est) ----(BP exp) ----(MP exp) CC(C#C)C#C -53.6PredN
C1=CC=CC=C1103178.114C6H6benzeneN126C1=CC=CC=C1InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6HInChIKey=UHOVQNZJYSORNB-UHFFFAOYSA-N79.9Ex 102.24(BP est) -77.92(MP est) 80.00(BP exp) 5.50(MP exp) C1=CC=CC=C1 5.5ExptY(Pyysalo 1976)
C12=CCC1=CC2103278.114C6H6bicyclo[2.2.0]hexa-1,4-dieneN126C12=CCC1=CC2InChI=1S/C6H6/c1-2-6-4-3-5(1)6/h1,4H,2-3H2InChIKey=SKSKRZHVARBPHH-UHFFFAOYSA-N96.4Ex 96.42(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C12=CCC1=CC2 -51.1PredN
C1(C2)=C2C=CC1103378.114C6H6bicyclo[3.1.0]hexa-1(5),2-dieneN126C1(C2)=C2C=CC1InChI=1S/C6H6/c1-2-5-4-6(5)3-1/h1-2H,3-4H2InChIKey=NWFRTAWIKBCJRH-UHFFFAOYSA-N96.4Ex 96.42(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C1(C2)=C2C=CC1 -51.1PredN
C12=CC1CC=C2103478.114C6H6bicyclo[3.1.0]hexa-1(6),2-dieneN126C12=CC1CC=C2InChI=1S/C6H6/c1-2-5-4-6(5)3-1/h1-2,4,6H,3H2InChIKey=HDMKOUTVZJDEFA-UHFFFAOYSA-N91.5Ex 91.47(BP est) -60.94(MP est) ----(BP exp) ----(MP exp) C12=CC1CC=C2 -60.9PredN
C12=CCC=C1C2103578.114C6H6bicyclo[3.1.0]hexa-1,4-dieneN126C12=CCC=C1C2InChI=1S/C6H6/c1-2-5-4-6(5)3-1/h2-3H,1,4H2InChIKey=GPQASBJYHGFLLL-UHFFFAOYSA-N96.4Ex 96.42(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C12=CCC=C1C2 -51.1PredN
C12=CC1C=CC2103678.114C6H6bicyclo[3.1.0]hexa-2,5-dieneN126C12=CC1C=CC2InChI=1S/C6H6/c1-2-5-4-6(5)3-1/h1-2,4-5H,3H2InChIKey=KMVASLKCOJVRMD-UHFFFAOYSA-N91.5Ex 91.47(BP est) -60.94(MP est) ----(BP exp) ----(MP exp) C12=CC1C=CC2 -60.9PredN
C=C1C=CC=C1103778.114C6H6fulveneN126C=C1C=CC=C1InChI=1S/C6H6/c1-6-4-2-3-5-6/h2-5H,1H2InChIKey=PGTKVMVZBBZCKQ-UHFFFAOYSA-N87.8Ex 87.81(BP est) -73.91(MP est) ----(BP exp) ----(MP exp) C=C1C=CC=C1 -73.9PredN
C=C=CC#CC103878.114C6H6hexa-1,2-dien-4-yneN126C=C=CC#CCInChI=1S/C6H6/c1-3-5-6-4-2/h5H,1H2,2H3InChIKey=CIWKSGZHZBRQFA-UHFFFAOYSA-N89.6Ex 89.58(BP est) -33.14(MP est) ----(BP exp) ----(MP exp) C=C=CC#CC -33.1PredN
C=CC=CC#C103978.114C6H6hexa-1,3-dien-5-yneN126C=CC=CC#CInChI=1S/C6H6/c1-3-5-6-4-2/h1,4-6H,2H2InChIKey=OGWJYLKDZYZYBA-UHFFFAOYSA-N83.2Ex 86.03(BP est) -69.54(MP est) 83.50(BP exp) -81.00(MP exp) C=CC=CC#C -81ExptN
CCC#CC#C104078.114C6H6hexa-1,3-diyneN126CCC#CC#CInChI=1S/C6H6/c1-3-5-6-4-2/h1H,4H2,2H3InChIKey=AKOJBFZCIRFXBA-UHFFFAOYSA-N91.0Ex 97.97(BP est) -9.58(MP est) ----(BP exp) ----(MP exp) CCC#CC#C -9.6PredN
CC#CCC#C104178.114C6H6hexa-1,4-diyneN126CC#CCC#CInChI=1S/C6H6/c1-3-5-6-4-2/h1H,5H2,2H3InChIKey=NJXXWBJAOFKNIR-UHFFFAOYSA-N92.4Ex 97.97(BP est) -9.58(MP est) ----(BP exp) ----(MP exp) CC#CCC#C -9.6PredN
C=CC#CC=C104278.114C6H6hexa-1,5-dien-3-yneN126C=CC#CC=CInChI=1S/C6H6/c1-3-5-6-4-2/h3-4H,1-2H2InChIKey=AUBDSFLQOBEOPX-UHFFFAOYSA-N134.1Ex 85.80(BP est) -38.38(MP est) 85.00(BP exp) -88.00(MP exp) C=CC#CC=C -88ExptN
C#CCCC#C104378.114C6H6hexa-1,5-diyneN126C#CCCC#CInChI=1S/C6H6/c1-3-5-6-4-2/h1-2H,5-6H2InChIKey=YFIBSNDOVCWPBL-UHFFFAOYSA-N86.1Ex 88.91(BP est) -41.79(MP est) 86.00(BP exp) -6.00(MP exp) C#CCCC#C -6ExptN
CC#CC#CC104478.114C6H6hexa-2,4-diyneN126CC#CC#CCInChI=1S/C6H6/c1-3-5-6-4-2/h1-2H3InChIKey=PCTCNWZFDASPLA-UHFFFAOYSA-N129.5Ex 106.90(BP est) 22.59(MP est) 129.50(BP exp) 67.80(MP exp) CC#CC#CC 67.8ExptN
C1=CC12CC=C2104578.114C6H6spiro[2.3]hexa-1,4-dieneN126C1=CC12CC=C2InChI=1S/C6H6/c1-2-6(3-1)4-5-6/h1-2,4-5H,3H2InChIKey=MELXWTMTKVDHJS-UHFFFAOYSA-N80.6Ex 80.63(BP est) -58.41(MP est) ----(BP exp) ----(MP exp) C1=CC12CC=C2 -58.4PredN
O=S(C)C104678.129C2H6OS(methylsulfinyl)methaneN104O=S(C)CInChI=1S/C2H6OS/c1-4(2)3/h1-2H3InChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N189.7Ex 128.63(BP est) -49.71(MP est) 189.00(BP exp) 18.50(MP exp) O=S(C)C 18.5ExptY(Sun et al. 2012, DNP 2017)
CSCO104778.129C2H6OS(methylthio)methanolN104CSCOInChI=1S/C2H6OS/c1-4-2-3/h3H,2H2,1H3InChIKey=ZSSFPSNLAUYOFG-UHFFFAOYSA-N133.9Ex 133.92(BP est) -50.55(MP est) ----(BP exp) ----(MP exp) CSCO -50.6PredY(Bentley and Chasteen 2004)
SCCO104978.129C2H6OS2-mercaptoethan-1-olN104SCCOInChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2InChIKey=DGVVWUTYPXICAM-UHFFFAOYSA-N157.1Ex 147.39(BP est) -45.59(MP est) 158.00(BP exp) ----(MP exp) SCCO -45.6PredY(Gioacchini et al. 2008, Lemfack et al. 2014)
CCSO105078.129C2H6OSethylsulfanolN104CCSOInChI=1S/C2H6OS/c1-2-4-3/h3H,2H2,1H3InChIKey=HRKZEUPYFXLVQW-UHFFFAOYSA-N150.4Ex 150.38(BP est) -45.75(MP est) ----(BP exp) ----(MP exp) CCSO -45.8PredN
O(C)CS105178.129C2H6OSmethoxymethanethiolN104O(C)CSInChI=1S/C2H6OS/c1-3-2-4/h4H,2H2,1H3InChIKey=MJGXOSYVWHETDC-UHFFFAOYSA-N84.1Ex 84.08(BP est) -83.37(MP est) ----(BP exp) ----(MP exp) O(C)CS -83.4PredN
C(Cl)#C(F)105278.4704C2ClF1-chloro-2-fluoroethyneN44C(Cl)#C(F)InChI=1S/C2ClF/c3-1-2-4InChIKey=OODNVUHMYJVFIQ-UHFFFAOYSA-N28.2Ex 28.18(BP est) -60.73(MP est) ----(BP exp) ----(MP exp) C(Cl)#C(F) -60.7PredN
O=CCCl105378.495C2H3ClO2-chloroacetaldehydeN74O=CCClInChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2InChIKey=QSKPIOLLBIHNAC-UHFFFAOYSA-N85.0Ex 101.30(BP est) -71.73(MP est) 85.50(BP exp) -16.30(MP exp) O=CCCl -16.3ExptY(Ballschmiter 2003)
ClC1CO1105478.495C2H3ClO2-chlorooxiraneN74ClC1CO1InChI=1S/C2H3ClO/c3-2-1-4-2/h2H,1H2InChIKey=WBNCHVFLFSFIGK-UHFFFAOYSA-N60.7Ex 60.74(BP est) -82.31(MP est) ----(BP exp) ----(MP exp) ClC1CO1 -82.3PredN
CCCCl105578.539C3H7Cl1-chloropropaneN114CCCClInChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3InChIKey=SNMVRZFUUCLYTO-UHFFFAOYSA-N46.2Ex 63.42(BP est) -98.15(MP est) 46.50(BP exp) -122.80(MP exp) CCCCl -122.8ExptY(Ballschmiter 2003)
CC(C)Cl105678.539C3H7Cl2-chloropropaneN114CC(C)ClInChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3InChIKey=ULYZAYCEDJDHCC-UHFFFAOYSA-N35.1Ex 33.69(BP est) -114.33(MP est) 35.70(BP exp) -117.20(MP exp) CC(C)Cl -117.2ExptY(Leejeerajumnean et al. 2001)
FC1(F)CN1106179.0498C2H3F2N2,2-difluoroaziridineN85FC1(F)CN1InChI=1S/C2H3F2N/c3-2(4)1-5-2/h5H,1H2InChIKey=SWJFIZXKPXCVAR-UHFFFAOYSA-N31.6Ex 31.61(BP est) -54.01(MP est) ----(BP exp) ----(MP exp) FC1(F)CN1 -54PredN
FC1C(F)N1106279.0498C2H3F2N2,3-difluoroaziridineN85FC1C(F)N1InChI=1S/C2H3F2N/c3-1-2(4)5-1/h1-2,5HInChIKey=FZMLVMMSLVZAIG-UHFFFAOYSA-N37.9Ex 37.88(BP est) -66.25(MP est) ----(BP exp) ----(MP exp) FC1C(F)N1 -66.3PredN
C(=O)C#CC#N106379.058C4HNO4-oxobut-2-ynenitrileN76C(=O)C#CC#NInChI=1S/C4HNO/c5-3-1-2-4-6/h4HInChIKey=RCMBMNRBKRCHBO-UHFFFAOYSA-N191.2Ex 191.16(BP est) 23.56(MP est) ----(BP exp) ----(MP exp) C(=O)C#CC#N 23.6PredN
[O-][N+](=O)S106479.073HNO2Snitrothioic O,S-acidN54[O-][N+](=O)SInChI=1S/HNO2S/c2-1(3)4/h4HInChIKey=WDZCJFZKULYAMW-UHFFFAOYSA-N100.3Ex 533.62(BP est) 217.67(MP est) ----(BP exp) ----(MP exp) [O-][N+](=O)S 217.7PredN
NCOC(F)106579.0744C2H6FNO(fluoromethoxy)methanamineN115NCOC(F)InChI=1S/C2H6FNO/c3-1-5-2-4/h1-2,4H2InChIKey=UBIZCIUOALDMOG-UHFFFAOYSA-N66.2Ex 66.20(BP est) -64.89(MP est) ----(BP exp) ----(MP exp) NCOC(F) -64.9PredN
NCC(O)(F)106679.0744C2H6FNO2-amino-1-fluoroethan-1-olN115NCC(O)(F)InChI=1S/C2H6FNO/c3-2(5)1-4/h2,5H,1,4H2InChIKey=SEBOCRWUPFXULD-UHFFFAOYSA-N109.7Ex 109.74(BP est) -40.39(MP est) ----(BP exp) ----(MP exp) NCC(O)(F) -40.4PredN
NC(F)C(O)106779.0744C2H6FNO2-amino-2-fluoroethan-1-olN115NC(F)C(O)InChI=1S/C2H6FNO/c3-2(4)1-5/h2,5H,1,4H2InChIKey=CXRKEHAVWIBWGG-UHFFFAOYSA-N117.3Ex 117.34(BP est) -38.17(MP est) ----(BP exp) ----(MP exp) NC(F)C(O) -38.2PredN
NC(F)OC106879.0744C2H6FNOfluoro(methoxy)methanamineN115NC(F)OCInChI=1S/C2H6FNO/c1-5-2(3)4/h2H,4H2,1H3InChIKey=RTBASICPEQCXPD-UHFFFAOYSA-N50.8Ex 50.81(BP est) -76.89(MP est) ----(BP exp) ----(MP exp) NC(F)OC -76.9PredN
FC(C)NO106979.0744C2H6FNON-(1-fluoroethyl)hydroxylamineN115FC(C)NOInChI=1S/C2H6FNO/c1-2(3)4-5/h2,4-5H,1H3InChIKey=HVMMDWWKIJQLIH-UHFFFAOYSA-N116.3Ex 116.25(BP est) -53.79(MP est) ----(BP exp) ----(MP exp) FC(C)NO -53.8PredN
FCN(O)C107079.0744C2H6FNON-(fluoromethyl)-N-methylhydroxylamineN115FCN(O)CInChI=1S/C2H6FNO/c1-4(5)2-3/h5H,2H2,1H3InChIKey=LDVBSEKGFUZAGO-UHFFFAOYSA-N181.8Ex 181.80(BP est) -14.17(MP est) ----(BP exp) ----(MP exp) FCN(O)C -14.2PredN
FCNOC107179.0744C2H6FNON-(fluoromethyl)-O-methylhydroxylamineN115FCNOCInChI=1S/C2H6FNO/c1-5-4-2-3/h4H,2H2,1H3InChIKey=MLQYCSAGGGURBR-UHFFFAOYSA-N46.2Ex 46.17(BP est) -86.04(MP est) ----(BP exp) ----(MP exp) FCNOC -86PredN
NOC(C)F107279.0744C2H6FNOO-(1-fluoroethyl)hydroxylamineN115NOC(C)FInChI=1S/C2H6FNO/c1-2(3)5-4/h2H,4H2,1H3InChIKey=UNMBUKGABOHPMS-UHFFFAOYSA-N50.8Ex 50.81(BP est) -76.89(MP est) ----(BP exp) ----(MP exp) NOC(C)F -76.9PredN
NOCCF107379.0744C2H6FNOO-(2-fluoroethyl)hydroxylamineN115NOCCFInChI=1S/C2H6FNO/c3-1-2-5-4/h1-2,4H2InChIKey=RODRJIHHHOKCLH-UHFFFAOYSA-N66.2Ex 66.20(BP est) -64.89(MP est) ----(BP exp) ----(MP exp) NOCCF -64.9PredN
CNOCF107479.0744C2H6FNOO-(fluoromethyl)-N-methylhydroxylamineN115CNOCFInChI=1S/C2H6FNO/c1-4-5-2-3/h4H,2H2,1H3InChIKey=CBBKVQWDWHAEFZ-UHFFFAOYSA-N46.2Ex 46.17(BP est) -86.04(MP est) ----(BP exp) ----(MP exp) CNOCF -86PredN
N#CC\1(/C=C/1)C107579.102C5H5N1-methylcycloprop-2-ene-1-carbonitrileN116N#CC\1(/C=C/1)CInChI=1S/C5H5N/c1-5(4-6)2-3-5/h2-3H,1H3InChIKey=XYSZFWTYCDPXEQ-UHFFFAOYSA-N137.9Ex 137.89(BP est) -26.31(MP est) ----(BP exp) ----(MP exp) N#CC\1(/C=C/1)C -26.3PredN
C#CCC1=CN1107679.102C5H5N2-(prop-2-yn-1-yl)-1H-azirineN116C#CCC1=CN1InChI=1S/C5H5N/c1-2-3-5-4-6-5/h1,4,6H,3H2InChIKey=XFLARYIMNROLOM-UHFFFAOYSA-N130.7Ex 130.69(BP est) 11.53(MP est) ----(BP exp) ----(MP exp) C#CCC1=CN1 11.5PredN
CC(N1)=C1C#C107779.102C5H5N2-ethynyl-3-methyl-1H-azirineN116CC(N1)=C1C#CInChI=1S/C5H5N/c1-3-5-4(2)6-5/h1,6H,2H3InChIKey=MIOJTMGBACCWPG-UHFFFAOYSA-N128.7Ex 128.72(BP est) 17.21(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1C#C 17.2PredN
C=C1C=CC=N1107879.102C5H5N2-methylene-2H-pyrroleN116C=C1C=CC=N1InChI=1S/C5H5N/c1-5-3-2-4-6-5/h2-4H,1H2InChIKey=LVFHXTSDKGRPEJ-UHFFFAOYSA-N103.3Ex 103.30(BP est) -39.26(MP est) ----(BP exp) ----(MP exp) C=C1C=CC=N1 -39.3PredN
C=C(C=C)C#N107979.102C5H5N2-methylenebut-3-enenitrileN116C=C(C=C)C#NInChI=1S/C5H5N/c1-3-5(2)4-6/h3H,1-2H2InChIKey=LEKIODFWYFCUER-UHFFFAOYSA-N133.4Ex 133.44(BP est) -57.64(MP est) ----(BP exp) ----(MP exp) C=C(C=C)C#N -57.6PredN
C1(N2)=C2C=CC1108079.102C5H5N6-azabicyclo[3.1.0]hexa-1(5),2-dieneN116C1(N2)=C2C=CC1InChI=1S/C5H5N/c1-2-4-5(3-1)6-4/h1-2,6H,3H2InChIKey=UNHZODWZWSWVPW-UHFFFAOYSA-N134.2Ex 134.20(BP est) 6.80(MP est) ----(BP exp) ----(MP exp) C1(N2)=C2C=CC1 6.8PredN
N#CC12CC2C1108179.102C5H5Nbicyclo[1.1.0]butane-1-carbonitrileN116N#CC12CC2C1InChI=1S/C5H5N/c6-3-5-1-4(5)2-5/h4H,1-2H2InChIKey=BPPMXXJOMACYJD-UHFFFAOYSA-N134.6Ex 134.62(BP est) -15.15(MP est) ----(BP exp) ----(MP exp) N#CC12CC2C1 -15.2PredN
CCC#CC#N108279.102C5H5Npent-2-ynenitrileN116CCC#CC#NInChI=1S/C5H5N/c1-2-3-4-5-6/h2H2,1H3InChIKey=XZJKVEKIQIHCIZ-UHFFFAOYSA-N158.9Ex 158.92(BP est) 11.58(MP est) ----(BP exp) ----(MP exp) CCC#CC#N 11.6PredN
CC#CCC#N108379.102C5H5Npent-3-ynenitrileN116CC#CCC#NInChI=1S/C5H5N/c1-2-3-4-5-6/h4H2,1H3InChIKey=OWKRYNJWNLBLNR-UHFFFAOYSA-N158.9Ex 158.92(BP est) 11.58(MP est) ----(BP exp) ----(MP exp) CC#CCC#N 11.6PredN
N#CCCC#C108479.102C5H5Npent-4-ynenitrileN116N#CCCC#CInChI=1S/C5H5N/c1-2-3-4-5-6/h1H,3-4H2InChIKey=VMUWIDHKAIGONP-UHFFFAOYSA-N150.8Ex 150.75(BP est) -20.36(MP est) ----(BP exp) ----(MP exp) N#CCCC#C -20.4PredN
NC(C#C)C#C108579.102C5H5Npenta-1,4-diyn-3-amineN116NC(C#C)C#CInChI=1S/C5H5N/c1-3-5(6)4-2/h1-2,5H,6H2InChIKey=MOPKDCIXUKKUGC-UHFFFAOYSA-N114.0Ex 114.04(BP est) -5.96(MP est) ----(BP exp) ----(MP exp) NC(C#C)C#C -6PredN
CC=C=CC#N108679.102C5H5Npenta-2,3-dienenitrileN116CC=C=CC#NInChI=1S/C5H5N/c1-2-3-4-5-6/h2,4H,1H3InChIKey=KGVOYFCJVCWTSD-UHFFFAOYSA-N151.6Ex 151.56(BP est) -42.90(MP est) ----(BP exp) ----(MP exp) CC=C=CC#N -42.9PredN
N#CC=CC=C108779.102C5H5Npenta-2,4-dienenitrileN116N#CC=CC=CInChI=1S/C5H5N/c1-2-3-4-5-6/h2-4H,1H2InChIKey=STSRVFAXSLNLLI-UHFFFAOYSA-N136.5Ex 148.16(BP est) -48.03(MP est) 136.50(BP exp) -60.00(MP exp) N#CC=CC=C -60ExptY(Poelman et al. 2012)
C1=NC=CC=C1108879.102C5H5NpyridineN116C1=NC=CC=C1InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5HInChIKey=JUJWROOIHBZHMG-UHFFFAOYSA-N115.1Ex 113.36(BP est) -44.54(MP est) 115.20(BP exp) -41.60(MP exp) C1=NC=CC=C1 -41.6ExptY(Cha and Cadwallader 1995, Kakumyan and Matsui 2009, DNP 2017)
ONCS108979.117CH5NOS(hydroxyamino)methanethiolN94ONCSInChI=1S/CH5NOS/c3-2-1-4/h2-4H,1H2InChIKey=OKCMKCWOGMSMFY-UHFFFAOYSA-N181.8Ex 181.81(BP est) -14.85(MP est) ----(BP exp) ----(MP exp) ONCS -14.9PredN
O=S(N)C109079.117CH5NOSmethanesulfinamideN94O=S(N)CInChI=1S/CH5NOS/c1-4(2)3/h2H2,1H3InChIKey=SZEHYTUQQCTUQK-UHFFFAOYSA-N165.3Ex 165.25(BP est) -3.02(MP est) ----(BP exp) ----(MP exp) O=S(N)C -3PredN
NC(C)Cl109579.527C2H6ClN1-chloroethan-1-amineN104NC(C)ClInChI=1S/C2H6ClN/c1-2(3)4/h2H,4H2,1H3InChIKey=HOJIHIFXRHMKLL-UHFFFAOYSA-N76.1Ex 76.06(BP est) -65.96(MP est) ----(BP exp) ----(MP exp) NC(C)Cl -66PredN
CNCCl109679.527C2H6ClN1-chloro-N-methylmethanamineN104CNCClInChI=1S/C2H6ClN/c1-4-2-3/h4H,2H2,1H3InChIKey=YSGFJTBXZGBDIC-UHFFFAOYSA-N85.1Ex 85.14(BP est) -71.12(MP est) ----(BP exp) ----(MP exp) CNCCl -71.1PredN
NCCCl109779.527C2H6ClN2-chloroethan-1-amineN104NCCClInChI=1S/C2H6ClN/c3-1-2-4/h1-2,4H2InChIKey=VKPPFDPXZWFDFA-UHFFFAOYSA-N104.1Ex 104.08(BP est) -50.28(MP est) ----(BP exp) ----(MP exp) NCCCl -50.3PredN
FB(F)OC109879.8408CH3BF2Odifluoro(methoxy)boraneN85FB(F)OCInChI=1S/CH3BF2O/c1-5-2(3)4/h1H3InChIKey=MMOYZEVQTUZRGG-UHFFFAOYSA-N-30.8Ex -30.75(BP est) -145.85(MP est) ----(BP exp) ----(MP exp) FB(F)OC -145.9PredN
B1(CCC=C1)C110279.937C5H9B1-methyl-2,3-dihydro-1H-boroleN156B1(CCC=C1)CInChI=1S/C5H9B/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3InChIKey=ZSMSKWKJBLDXDE-UHFFFAOYSA-N62.2Ex 62.24(BP est) -98.16(MP est) ----(BP exp) ----(MP exp) B1(CCC=C1)C -98.2PredN
CB(C)C#CC110379.937C5H9Bdimethyl(prop-1-yn-1-yl)boraneN156CB(C)C#CCInChI=1S/C5H9B/c1-4-5-6(2)3/h1-3H3InChIKey=QTIXECYTAMLXRP-UHFFFAOYSA-N63.3Ex 63.29(BP est) -54.51(MP est) ----(BP exp) ----(MP exp) CB(C)C#CC -54.5PredN
C=CB(C=C)C110479.937C5H9BmethyldivinylboraneN156C=CB(C=C)CInChI=1S/C5H9B/c1-4-6(3)5-2/h4-5H,1-2H2,3H3InChIKey=YOMXMAJQSQCWGR-UHFFFAOYSA-N40.8Ex 40.78(BP est) -115.90(MP est) ----(BP exp) ----(MP exp) C=CB(C=C)C -115.9PredN
O=PCF110679.9982CH2FOP(fluoromethyl)(oxo)phosphaneN64O=PCFInChI=1S/CH2FOP/c2-1-4-3/h1H2InChIKey=IVQNNVKFLFGQMC-UHFFFAOYSA-N61.9Ex 61.88(BP est) -91.35(MP est) ----(BP exp) ----(MP exp) O=PCF -91.4PredN
C(P)P110780.0065CH6P2bis(phosphaneyl)methaneN93C(P)PInChI=1S/CH6P2/c2-1-3/h1-3H2InChIKey=UXGNAFUPNZUQQX-UHFFFAOYSA-N73.2Ex 73.19(BP est) -90.16(MP est) ----(BP exp) ----(MP exp) C(P)P -90.2PredN
O=P(C)O110980.0228CH5O2Pmethylphosphinic acidN94O=P(C)OInChI=1S/CH5O2P/c1-4(2)3/h4H,1H3,(H,2,3)InChIKey=BCDIWLCKOCHCIH-UHFFFAOYSA-N162.6Ex 162.61(BP est) -40.01(MP est) ----(BP exp) ----(MP exp) O=P(C)O -40PredN
C(=O)C(F)(F)111180.0338C2H2F2O2,2-difluoroacetaldehydeN75C(=O)C(F)(F)InChI=1S/C2H2F2O/c3-2(4)1-5/h1-2HInChIKey=DKNMRIXYSHIIGC-UHFFFAOYSA-N23.0Ex 23.01(BP est) -116.45(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(F) -116.5PredN
FC1(F)CO1111280.0338C2H2F2O2,2-difluorooxiraneN75FC1(F)CO1InChI=1S/C2H2F2O/c3-2(4)1-5-2/h1H2InChIKey=ISBGUXAPKYJNKB-UHFFFAOYSA-N-4.8Ex -4.76(BP est) -103.85(MP est) ----(BP exp) ----(MP exp) FC1(F)CO1 -103.9PredN
FC1C(F)O1111380.0338C2H2F2O2,3-difluorooxiraneN75FC1C(F)O1InChI=1S/C2H2F2O/c3-1-2(4)5-1/h1-2HInChIKey=XLEILMCZKMFZTO-UHFFFAOYSA-N1.8Ex 1.80(BP est) -116.01(MP est) ----(BP exp) ----(MP exp) FC1C(F)O1 -116PredN
PC(F)C111480.0422C2H6FP(1-fluoroethyl)phosphaneN104PC(F)CInChI=1S/C2H6FP/c1-2(3)4/h2H,4H2,1H3InChIKey=RCACBAJGBFOGNN-UHFFFAOYSA-N20.3Ex 20.33(BP est) -122.84(MP est) ----(BP exp) ----(MP exp) PC(F)C -122.8PredN
PCCF111580.0422C2H6FP(2-fluoroethyl)phosphaneN104PCCFInChI=1S/C2H6FP/c3-1-2-4/h1-2,4H2InChIKey=GYQDBNYYNSTQTM-UHFFFAOYSA-N36.4Ex 36.36(BP est) -110.67(MP est) ----(BP exp) ----(MP exp) PCCF -110.7PredN
CPCF111680.0422C2H6FP(fluoromethyl)(methyl)phosphaneN104CPCFInChI=1S/C2H6FP/c1-4-2-3/h4H,2H2,1H3InChIKey=MVBAWHBVJAQIGL-UHFFFAOYSA-N13.4Ex 13.42(BP est) -125.55(MP est) ----(BP exp) ----(MP exp) CPCF -125.6PredN
O=C(C#N)C#N111880.046C3N2Ocarbonyl dicyanideN66O=C(C#N)C#NInChI=1S/C3N2O/c4-1-3(6)2-5InChIKey=JSGHQDAEHDRLOI-UHFFFAOYSA-N-8.8Ex 224.50(BP est) 23.87(MP est) ----(BP exp) ----(MP exp) O=C(C#N)C#N 23.9PredN
O=S(=O)=O111980.057O3Ssulfur trioxideN44O=S(=O)=OInChI=1S/O3S/c1-4(2)3InChIKey=AKEJUJNQAAGONA-UHFFFAOYSA-N21.1Ex 473.12(BP est) 173.17(MP est) ----(BP exp) 16.80(MP exp) O=S(=O)=O 16.8ExptYref
OCOC(F)112080.0584C2H5FO2(fluoromethoxy)methanolN105OCOC(F)InChI=1S/C2H5FO2/c3-1-5-2-4/h4H,1-2H2InChIKey=XWDHNHKUASQXLZ-UHFFFAOYSA-N93.3Ex 93.29(BP est) -68.21(MP est) ----(BP exp) ----(MP exp) OCOC(F) -68.2PredN
OCC(O)(F)112280.0584C2H5FO21-fluoroethane-1,2-diolN105OCC(O)(F)InChI=1S/C2H5FO2/c3-2(5)1-4/h2,4-5H,1H2InChIKey=QNVQPXNRAJFKQV-UHFFFAOYSA-N135.1Ex 135.07(BP est) -44.21(MP est) ----(BP exp) ----(MP exp) OCC(O)(F) -44.2PredN
OC(F)OC112380.0584C2H5FO2fluoro(methoxy)methanolN105OC(F)OCInChI=1S/C2H5FO2/c1-5-2(3)4/h2,4H,1H3InChIKey=UTOQOCIJUDWJLQ-UHFFFAOYSA-N70.4Ex 70.42(BP est) -82.38(MP est) ----(BP exp) ----(MP exp) OC(F)OC -82.4PredN
C(CC(F)F)112480.0778C3H6F21,1-difluoropropaneN115C(CC(F)F)InChI=1S/C3H6F2/c1-2-3(4)5/h3H,2H2,1H3InChIKey=CTJAKAQLCQKBTC-UHFFFAOYSA-N7.8Ex -19.14(BP est) -144.12(MP est) ----(BP exp) ----(MP exp) C(CC(F)F) -144.1PredN
C(C(F)CF)112580.0778C3H6F21,2-difluoropropaneN115C(C(F)CF)InChI=1S/C3H6F2/c1-3(5)2-4/h3H,2H2,1H3InChIKey=OFHQVNFSKOBBGG-UHFFFAOYSA-N15.0Ex -19.14(BP est) -144.12(MP est) ----(BP exp) ----(MP exp) C(C(F)CF) -144.1PredN
C(F)(CCF)112680.0778C3H6F21,3-difluoropropaneN115C(F)(CCF)InChI=1S/C3H6F2/c4-2-1-3-5/h1-3H2InChIKey=OOLOYCGJRJFTPM-UHFFFAOYSA-N41.3Ex -2.34(BP est) -131.72(MP est) 41.60(BP exp) ----(MP exp) C(F)(CCF) -131.7PredN
C(C(F)(F)C)112780.0778C3H6F22,2-difluoropropaneN115C(C(F)(F)C)InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3InChIKey=YZXSQDNPKVBDOG-UHFFFAOYSA-N-0.7Ex -30.37(BP est) -138.69(MP est) -0.40(BP exp) -104.80(MP exp) C(C(F)(F)C) -104.8ExptN
O=C\C=C\1/C=C/1112880.086C5H4O2-(cycloprop-2-en-1-ylidene)acetaldehydeN106O=C\C=C\1/C=C/1InChI=1S/C5H4O/c6-4-3-5-1-2-5/h1-4HInChIKey=AEENJDVSDBNMFF-UHFFFAOYSA-N125.9Ex 125.90(BP est) -45.95(MP est) ----(BP exp) ----(MP exp) O=C\C=C\1/C=C/1 -46PredN
C#CCC1=CO1112980.086C5H4O2-(prop-2-yn-1-yl)oxireneN106C#CCC1=CO1InChI=1S/C5H4O/c1-2-3-5-4-6-5/h1,4H,3H2InChIKey=RENGILUBUDQFNM-UHFFFAOYSA-N99.2Ex 99.20(BP est) -36.89(MP est) ----(BP exp) ----(MP exp) C#CCC1=CO1 -36.9PredN
CC(O1)=C1C#C113080.086C5H4O2-ethynyl-3-methyloxireneN106CC(O1)=C1C#CInChI=1S/C5H4O/c1-3-5-4(2)6-5/h1H,2H3InChIKey=FZNFGFURGULHFZ-UHFFFAOYSA-N97.1Ex 97.13(BP est) -31.24(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1C#C -31.2PredN
O=CC(C#C)=C113180.086C5H4O2-methylenebut-3-ynalN106O=CC(C#C)=CInChI=1S/C5H4O/c1-3-5(2)4-6/h1,4H,2H2InChIKey=IRADGCCOOVZHAR-UHFFFAOYSA-N109.0Ex 109.04(BP est) -51.90(MP est) ----(BP exp) ----(MP exp) O=CC(C#C)=C -51.9PredN
C1C2=C1OC=C2113280.086C5H4O2-oxabicyclo[3.1.0]hexa-1(5),3-dieneN106C1C2=C1OC=C2InChI=1S/C5H4O/c1-2-6-5-3-4(1)5/h1-2H,3H2InChIKey=RGJOCWAYOLIQRR-UHFFFAOYSA-N102.9Ex 102.91(BP est) -41.57(MP est) ----(BP exp) ----(MP exp) C1C2=C1OC=C2 -41.6PredN
O=C1/C=C\C1=C113380.086C5H4O4-methylenecyclobut-2-en-1-oneN106O=C1/C=C\C1=CInChI=1S/C5H4O/c1-4-2-3-5(4)6/h2-3H,1H2InChIKey=PHGJRTYYDHBDDD-UHFFFAOYSA-N125.8Ex 125.77(BP est) -32.98(MP est) ----(BP exp) ----(MP exp) O=C1/C=C\C1=C -33PredN
C1(O2)=C2C=CC1113480.086C5H4O6-oxabicyclo[3.1.0]hexa-1(5),2-dieneN106C1(O2)=C2C=CC1InChI=1S/C5H4O/c1-2-4-5(3-1)6-4/h1-2H,3H2InChIKey=WMNJFCIIENIXFA-UHFFFAOYSA-N102.9Ex 102.91(BP est) -41.57(MP est) ----(BP exp) ----(MP exp) C1(O2)=C2C=CC1 -41.6PredN
C#CC(=O)C=C113580.086C5H4Opent-1-en-4-yn-3-oneN106C#CC(=O)C=CInChI=1S/C5H4O/c1-3-5(6)4-2/h1,4H,2H2InChIKey=MGCLOSOXNJKERR-UHFFFAOYSA-N101.7Ex 101.68(BP est) -43.10(MP est) ----(BP exp) ----(MP exp) C#CC(=O)C=C -43.1PredN
O=CC=CC#C113680.086C5H4Opent-2-en-4-ynalN106O=CC=CC#CInChI=1S/C5H4O/c1-2-3-4-5-6/h1,3-5HInChIKey=LXRPWKJWAMRZSW-UHFFFAOYSA-N124.4Ex 124.37(BP est) -42.10(MP est) ----(BP exp) ----(MP exp) O=CC=CC#C -42.1PredN
O=CC#CC=C113780.086C5H4Opent-4-en-2-ynalN106O=CC#CC=CInChI=1S/C5H4O/c1-2-3-4-5-6/h2,5H,1H2InChIKey=JLUBUPKHHQVJFE-UHFFFAOYSA-N124.2Ex 124.15(BP est) -10.94(MP est) ----(BP exp) ----(MP exp) O=CC#CC=C -10.9PredN
OC(C#C)C#C113880.086C5H4Openta-1,4-diyn-3-olN106OC(C#C)C#CInChI=1S/C5H4O/c1-3-5(6)4-2/h1-2,5-6HInChIKey=BKDYPNZJRPEUEI-UHFFFAOYSA-N131.9Ex 131.87(BP est) -11.98(MP est) ----(BP exp) ----(MP exp) OC(C#C)C#C -12PredN
C#CC#CCO113980.086C5H4Openta-2,4-diyn-1-olN106C#CC#CCOInChI=1S/C5H4O/c1-2-3-4-5-6/h1,6H,5H2InChIKey=UZPGJRUGZGUXDE-UHFFFAOYSA-N160.7Ex 160.72(BP est) 6.85(MP est) ----(BP exp) ----(MP exp) C#CC#CCO 6.9PredN
[C-]#[N+]CC[N+]#[C-]114080.09C4H4N21,2-diisocyanoethaneN106C#NCCN#CInChI=1S/C4H4N2/c1-5-3-4-6-2/h3-4H2InChIKey=UDGHHRGDHFMRBM-UHFFFAOYSA-N-30.7Ex -30.70(BP est) -129.85(MP est) ----(BP exp) ----(MP exp) C#NCCN#C -129.9PredN
C=C/1/N=C\C=N\1114180.09C4H4N22-methylene-2H-imidazoleN106C=C/1/N=C\C=N\1InChI=1S/C4H4N2/c1-4-5-2-3-6-4/h2-3H,1H2InChIKey=UQOCEEQQGFOLRM-UHFFFAOYSA-N118.4Ex 118.42(BP est) -4.71(MP est) ----(BP exp) ----(MP exp) C=C/1/N=C\C=N\1 -4.7PredN
N#CC(C#N)C114280.09C4H4N22-methylmalononitrileN106N#CC(C#N)CInChI=1S/C4H4N2/c1-4(2-5)3-6/h4H,1H3InChIKey=LXUTYOVUICAOGH-UHFFFAOYSA-N194.2Ex 194.20(BP est) -11.80(MP est) ----(BP exp) ----(MP exp) N#CC(C#N)C -11.8PredN
N#CC#CCN114380.09C4H4N24-aminobut-2-ynenitrileN106N#CC#CCNInChI=1S/C4H4N2/c5-3-1-2-4-6/h3,5H2InChIKey=BQLHZJVXMLIWMK-UHFFFAOYSA-N193.5Ex 193.52(BP est) 28.51(MP est) ----(BP exp) ----(MP exp) N#CC#CCN 28.5PredN
C1=NC=CN=C1114480.09C4H4N2pyrazineN106C1=NC=CN=C1InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4HInChIKey=KYQCOXFCLRTKLS-UHFFFAOYSA-N115.6Ex 124.28(BP est) -11.22(MP est) 115.00(BP exp) 55.00(MP exp) C1=NC=CN=C1 55ExptY(Cha and Cadwallader 1995)
C1=NN=CC=C1114580.09C4H4N2pyridazineN106C1=NN=CC=C1InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4HInChIKey=PBMFSQRYOILNGV-UHFFFAOYSA-N207.5Ex 195.63(BP est) 9.61(MP est) 208.00(BP exp) -8.00(MP exp) C1=NN=CC=C1 -8ExptN
C1=NC=CC=N1114680.09C4H4N2pyrimidineN106C1=NC=CC=N1InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4HInChIKey=CZPWVGJYEJSRLH-UHFFFAOYSA-N123.4Ex 124.28(BP est) -11.22(MP est) 123.80(BP exp) 22.00(MP exp) C1=NC=CC=N1 22ExptY(de Lacy Costello et al. 2014)
N#CCCC#N114780.09C4H4N2succinonitrileN106N#CCCC#NInChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2InChIKey=IAHFWCOBPZCAEA-UHFFFAOYSA-N266.5Ex 206.20(BP est) -0.80(MP est) 266.00(BP exp) 54.50(MP exp) N#CCCC#N 54.5ExptN
O=S(C)O114880.101CH4O2Smethanesulfinic acidN84O=S(C)OInChI=1S/CH4O2S/c1-4(2)3/h1H3,(H,2,3)InChIKey=XNEFVTBPCXGIRX-UHFFFAOYSA-N202.9Ex 202.93(BP est) -3.24(MP est) ----(BP exp) ----(MP exp) O=S(C)O -3.2PredY(Bentley and Chasteen 2004)
NS(=N)O114980.105H4N2OSsulfuramidimidous acidN84NS(=N)OInChI=1S/H4N2OS/c1-4(2)3/h(H4,1,2,3)InChIKey=YUHCDOWGHUWBIP-UHFFFAOYSA-N167.9Ex 588.89(BP est) 254.12(MP est) ----(BP exp) ----(MP exp) NS(=N)O 254.1PredN
O=S(N)N115080.105H4N2OSsulfurous diamideN84O=S(N)NInChI=1S/H4N2OS/c1-4(2)3/h1-2H2InChIKey=RGKBHCHHMKMETO-UHFFFAOYSA-N166.3Ex 573.27(BP est) 246.82(MP est) ----(BP exp) ----(MP exp) O=S(N)N 246.8PredN
CSC(F)115180.1204C2H5FS(fluoromethyl)(methyl)sulfaneN94CSC(F)InChI=1S/C2H5FS/c1-4-2-3/h2H2,1H3InChIKey=WDOCUHDCUVZQNJ-UHFFFAOYSA-N45.1Ex 45.07(BP est) -106.61(MP est) ----(BP exp) ----(MP exp) CSC(F) -106.6PredN
SC(F)(C)115280.1204C2H5FS1-fluoroethane-1-thiolN94SC(F)(C)InChI=1S/C2H5FS/c1-2(3)4/h2,4H,1H3InChIKey=CFFBQPDXQRCJQV-UHFFFAOYSA-N45.0Ex 45.00(BP est) -113.10(MP est) ----(BP exp) ----(MP exp) SC(F)(C) -113.1PredN
SC(CF)115380.1204C2H5FS2-fluoroethane-1-thiolN94SC(CF)InChI=1S/C2H5FS/c3-1-2-4/h4H,1-2H2InChIKey=YHDHJRZOWOYBLR-UHFFFAOYSA-N60.5Ex 60.52(BP est) -101.07(MP est) ----(BP exp) ----(MP exp) SC(CF) -101.1PredN
C=C1CCC1=C115480.13C6H81,2-dimethylenecyclobutaneN146C=C1CCC1=CInChI=1S/C6H8/c1-5-3-4-6(5)2/h1-4H2InChIKey=QOFLWDYWJZBWHM-UHFFFAOYSA-N64.0Ex 72.88(BP est) -70.43(MP est) 64.00(BP exp) ----(MP exp) C=C1CCC1=C -70.4PredN
C=CCC1=CC1115580.13C6H81-allylcycloprop-1-eneN146C=CCC1=CC1InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,4H,1,3,5H2InChIKey=XEEHTIGRQDRDRQ-UHFFFAOYSA-N82.3Ex 82.25(BP est) -73.86(MP est) ----(BP exp) ----(MP exp) C=CCC1=CC1 -73.9PredN
CC1(CC1)C#C115680.13C6H81-ethynyl-1-methylcyclopropaneN146CC1(CC1)C#CInChI=1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3InChIKey=DLXBUAFBLMXVMT-UHFFFAOYSA-N71.4Ex 71.37(BP est) -49.48(MP est) ----(BP exp) ----(MP exp) CC1(CC1)C#C -49.5PredN
CC1CC1C#C115780.13C6H81-ethynyl-2-methylcyclopropaneN146CC1CC1C#CInChI=1S/C6H8/c1-3-6-4-5(6)2/h1,5-6H,4H2,2H3InChIKey=ZBNBSZJUIQGIHK-UHFFFAOYSA-N77.3Ex 77.31(BP est) -61.82(MP est) ----(BP exp) ----(MP exp) CC1CC1C#C -61.8PredN
CC(C1)=C1C=C115880.13C6H81-methyl-2-vinylcycloprop-1-eneN146CC(C1)=C1C=CInChI=1S/C6H8/c1-3-6-4-5(6)2/h3H,1,4H2,2H3InChIKey=CVZAHGSIHQUSRI-UHFFFAOYSA-N80.1Ex 80.13(BP est) -68.22(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1C=C -68.2PredN
CC1=CC1C=C115980.13C6H81-methyl-3-vinylcycloprop-1-eneN146CC1=CC1C=CInChI=1S/C6H8/c1-3-6-4-5(6)2/h3-4,6H,1H2,2H3InChIKey=XYWDJSNEQJGFJZ-UHFFFAOYSA-N75.1Ex 75.06(BP est) -78.08(MP est) ----(BP exp) ----(MP exp) CC1=CC1C=C -78.1PredN
CC12C=C1CC2116080.13C6H81-methylbicyclo[2.1.0]pent-4-eneN146CC12C=C1CC2InChI=1S/C6H8/c1-6-3-2-5(6)4-6/h4H,2-3H2,1H3InChIKey=WZNFMRUKRYGSAN-UHFFFAOYSA-N72.9Ex 72.94(BP est) -53.02(MP est) ----(BP exp) ----(MP exp) CC12C=C1CC2 -53PredN
CC1=CC=CC1116180.13C6H81-methylcyclopenta-1,3-dieneN146CC1=CC=CC1InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3InChIKey=NFWSQSCIDYBUOU-UHFFFAOYSA-N72.9Ex 91.79(BP est) -73.33(MP est) 72.78(BP exp) ----(MP exp) CC1=CC=CC1 -73.3PredY(de Lacy Costello et al. 2014)
CC1=CC12CC2116280.13C6H81-methylspiro[2.2]pent-1-eneN146CC1=CC12CC2InChI=1S/C6H8/c1-5-4-6(5)2-3-6/h4H,2-3H2,1H3InChIKey=QYOBLJMFKWSHQP-UHFFFAOYSA-N72.9Ex 72.94(BP est) -53.02(MP est) ----(BP exp) ----(MP exp) CC1=CC12CC2 -53PredN
C=CC1=CCC1116380.13C6H81-vinylcyclobut-1-eneN146C=CC1=CCC1InChI=1S/C6H8/c1-2-6-4-3-5-6/h2,4H,1,3,5H2InChIKey=IFXGRVXPSNHLNW-UHFFFAOYSA-N82.0Ex 84.51(BP est) -74.96(MP est) ----(BP exp) ----(MP exp) C=CC1=CCC1 -75PredN
CC1=CCC=C1116480.13C6H82-methylcyclopenta-1,3-dieneN146CC1=CCC=C1InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4-5H,3H2,1H3InChIKey=AHQZRFBZJSCKAV-UHFFFAOYSA-N91.8Ex 91.79(BP est) -73.33(MP est) ----(BP exp) ----(MP exp) CC1=CCC=C1 -73.3PredN
C=C(C#CC)C116580.13C6H82-methylpent-1-en-3-yneN146C=C(C#CC)CInChI=1S/C6H8/c1-4-5-6(2)3/h2H2,1,3H3InChIKey=KGIABMDFILVKGN-UHFFFAOYSA-N78.0Ex 80.91(BP est) -45.91(MP est) ----(BP exp) ----(MP exp) C=C(C#CC)C -45.9PredN
C=C(CC#C)C116680.13C6H82-methylpent-1-en-4-yneN146C=C(CC#C)CInChI=1S/C6H8/c1-4-5-6(2)3/h1H,2,5H2,3H3InChIKey=OYCKWAPENACEJO-UHFFFAOYSA-N71.6Ex 71.62(BP est) -78.19(MP est) ----(BP exp) ----(MP exp) C=C(CC#C)C -78.2PredN
C=CCC1C=C1116780.13C6H83-allylcycloprop-1-eneN146C=CCC1C=C1InChI=1S/C6H8/c1-2-3-6-4-5-6/h2,4-6H,1,3H2InChIKey=DNZWEKUIXKHGDM-UHFFFAOYSA-N77.2Ex 77.19(BP est) -83.71(MP est) ----(BP exp) ----(MP exp) C=CCC1C=C1 -83.7PredN
CC=C1CC=C1116880.13C6H83-ethylidenecyclobut-1-eneN146CC=C1CC=C1InChI=1S/C6H8/c1-2-6-4-3-5-6/h2-4H,5H2,1H3InChIKey=CKDGYICMQAWNME-UHFFFAOYSA-N91.7Ex 91.71(BP est) -73.06(MP est) ----(BP exp) ----(MP exp) CC=C1CC=C1 -73.1PredN
C=CC1=CC1C116980.13C6H83-methyl-1-vinylcycloprop-1-eneN146C=CC1=CC1CInChI=1S/C6H8/c1-3-6-4-5(6)2/h3-5H,1H2,2H3InChIKey=OOWWRCDHBKAABF-UHFFFAOYSA-N75.1Ex 75.06(BP est) -78.08(MP est) ----(BP exp) ----(MP exp) C=CC1=CC1C -78.1PredN
CC1(C=C)C=C1117080.13C6H83-methyl-3-vinylcycloprop-1-eneN146CC1(C=C)C=C1InChI=1S/C6H8/c1-3-6(2)4-5-6/h3-5H,1H2,2H3InChIKey=AZGBUFPIKVKSCD-UHFFFAOYSA-N53.5Ex 63.95(BP est) -75.63(MP est) ----(BP exp) ----(MP exp) CC1(C=C)C=C1 -75.6PredN
C=C1CCC=C1117180.13C6H83-methylenecyclopent-1-eneN146C=C1CCC=C1InChI=1S/C6H8/c1-6-4-2-3-5-6/h2,4H,1,3,5H2InChIKey=YWQLRBQGXHZJCF-UHFFFAOYSA-N79.3Ex 84.59(BP est) -75.24(MP est) ----(BP exp) ----(MP exp) C=C1CCC=C1 -75.2PredY(de Lacy Costello et al. 2014)
C=C(C#C)CC117280.13C6H83-methylenepent-1-yneN146C=C(C#C)CCInChI=1S/C6H8/c1-4-6(3)5-2/h1H,3,5H2,2H3InChIKey=LAKYCCVWZNCNIO-UHFFFAOYSA-N63.0Ex 71.62(BP est) -78.19(MP est) ----(BP exp) ----(MP exp) C=C(C#C)CC -78.2PredN
C=C(C=C)C=C117380.13C6H83-methylenepenta-1,4-dieneN146C=C(C=C)C=CInChI=1S/C6H8/c1-4-6(3)5-2/h4-5H,1-3H2InChIKey=VXBVLYQDVVHAHZ-UHFFFAOYSA-N47.3Ex 58.96(BP est) -107.13(MP est) ----(BP exp) ----(MP exp) C=C(C=C)C=C -107.1PredN
CC(C#C)C=C117480.13C6H83-methylpent-1-en-4-yneN146CC(C#C)C=CInChI=1S/C6H8/c1-4-6(3)5-2/h1,5-6H,2H2,3H3InChIKey=BDVXPFSZOKCQIU-UHFFFAOYSA-N62.5Ex 63.30(BP est) -81.14(MP est) ----(BP exp) ----(MP exp) CC(C#C)C=C -81.1PredN
CC=C(C#C)C117580.13C6H83-methylpent-3-en-1-yneN146CC=C(C#C)CInChI=1S/C6H8/c1-4-6(3)5-2/h1,5H,2-3H3InChIKey=GRGVQLWQXHFRHO-UHFFFAOYSA-N60.8Ex 81.15(BP est) -77.07(MP est) 66.50(BP exp) ----(MP exp) CC=C(C#C)C -77.1PredY(de Lacy Costello et al. 2014)
C=CC1CC=C1117680.13C6H83-vinylcyclobut-1-eneN146C=CC1CC=C1InChI=1S/C6H8/c1-2-6-4-3-5-6/h2-4,6H,1,5H2InChIKey=WYQCWZUUCJVDGE-UHFFFAOYSA-N79.5Ex 79.47(BP est) -84.81(MP est) ----(BP exp) ----(MP exp) C=CC1CC=C1 -84.8PredN
C=C1CC=CC1117780.13C6H84-methylenecyclopent-1-eneN146C=C1CC=CC1InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-3H,1,4-5H2InChIKey=LWDUGATUDNIVEU-UHFFFAOYSA-N84.6Ex 84.59(BP est) -75.24(MP est) ----(BP exp) ----(MP exp) C=C1CC=CC1 -75.2PredY(de Lacy Costello et al. 2014)
C#CC=C(C)C117880.13C6H84-methylpent-3-en-1-yneN146C#CC=C(C)CInChI=1S/C6H8/c1-4-5-6(2)3/h1,5H,2-3H3InChIKey=XTVVYQMNTDBDNS-UHFFFAOYSA-N81.2Ex 81.15(BP est) -77.07(MP est) ----(BP exp) ----(MP exp) C#CC=C(C)C -77.1PredN
CC1C2=C1CC2117980.13C6H85-methylbicyclo[2.1.0]pent-1(4)-eneN146CC1C2=C1CC2InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h4H,2-3H2,1H3InChIKey=XZCOQJJHTYIIPL-UHFFFAOYSA-N83.9Ex 83.91(BP est) -55.50(MP est) ----(BP exp) ----(MP exp) CC1C2=C1CC2 -55.5PredN
CC1=C2CCC12118080.13C6H85-methylbicyclo[2.1.0]pent-4-eneN146CC1=C2CCC12InChI=1S/C6H8/c1-4-5-2-3-6(4)5/h5H,2-3H2,1H3InChIKey=NBHQHAJRPHOTEG-UHFFFAOYSA-N83.9Ex 83.91(BP est) -55.50(MP est) ----(BP exp) ----(MP exp) CC1=C2CCC12 -55.5PredN
CC1C=CC=C1118180.13C6H85-methylcyclopenta-1,3-dieneN146CC1C=CC=C1InChI=1S/C6H8/c1-6-4-2-3-5-6/h2-6H,1H3InChIKey=QVRBGKYLLCLCHL-UHFFFAOYSA-N86.8Ex 86.81(BP est) -83.17(MP est) ----(BP exp) ----(MP exp) CC1C=CC=C1 -83.2PredY(de Lacy Costello et al. 2014)
C=CC=C1CC1118280.13C6H8allylidenecyclopropaneN146C=CC=C1CC1InChI=1S/C6H8/c1-2-3-6-4-5-6/h2-3H,1,4-5H2InChIKey=UDOOATFXVFOZIC-UHFFFAOYSA-N84.4Ex 84.43(BP est) -74.68(MP est) ----(BP exp) ----(MP exp) C=CC=C1CC1 -74.7PredN
C1(C2)=C2CCC1118380.13C6H8bicyclo[3.1.0]hex-1(5)-eneN146C1(C2)=C2CCC1InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-4H2InChIKey=QBEXCTSMXLOGSB-UHFFFAOYSA-N93.2Ex 93.24(BP est) -52.42(MP est) ----(BP exp) ----(MP exp) C1(C2)=C2CCC1 -52.4PredN
C12CC1C=CC2118480.13C6H8bicyclo[3.1.0]hex-2-eneN146C12CC1C=CC2InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h1-2,5-6H,3-4H2InChIKey=BAOZQZPGQWXJOW-UHFFFAOYSA-N74.0Ex 83.26(BP est) -72.09(MP est) ----(BP exp) ----(MP exp) C12CC1C=CC2 -72.1PredN
C12=CC1CCC2118580.13C6H8bicyclo[3.1.0]hex-5-eneN146C12=CC1CCC2InChI=1S/C6H8/c1-2-5-4-6(5)3-1/h4-5H,1-3H2InChIKey=HQGBLJKANVZPHV-UHFFFAOYSA-N88.3Ex 88.27(BP est) -62.25(MP est) ----(BP exp) ----(MP exp) C12=CC1CCC2 -62.3PredN
C1C=CC=CC1118680.13C6H8cyclohexa-1,3-dieneN146C1C=CC=CC1InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2InChIKey=MGNZXYYWBUKAII-UHFFFAOYSA-N81.3Ex 96.10(BP est) -80.10(MP est) 80.50(BP exp) -89.00(MP exp) C1C=CC=CC1 -89ExptY(de Lacy Costello et al. 2014)
C1C=CCC=C1118780.13C6H8cyclohexa-1,4-dieneN146C1C=CCC=C1InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2InChIKey=UVJHQYIOXKWHFD-UHFFFAOYSA-N85.9Ex 96.10(BP est) -80.10(MP est) 85.50(BP exp) -49.20(MP exp) C1C=CCC=C1 -49.2ExptY(de Lacy Costello et al. 2014)
C#CC1CCC1118880.13C6H8ethynylcyclobutaneN146C#CC1CCC1InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,6H,3-5H2InChIKey=GAXSIWLVORHPTJ-UHFFFAOYSA-N86.7Ex 86.73(BP est) -58.71(MP est) ----(BP exp) ----(MP exp) C#CC1CCC1 -58.7PredN
CCC#CC=C118980.13C6H8hex-1-en-3-yneN146CCC#CC=CInChI=1S/C6H8/c1-3-5-6-4-2/h3H,1,4H2,2H3InChIKey=BYSRUWKGUGERFI-UHFFFAOYSA-N84.6Ex 87.63(BP est) -36.97(MP est) 85.00(BP exp) ----(MP exp) CCC#CC=C -37PredN
CC#CCC=C119080.13C6H8hex-1-en-4-yneN146CC#CCC=CInChI=1S/C6H8/c1-3-5-6-4-2/h3H,1,5H2,2H3InChIKey=RIGMRFDIWRRSMS-UHFFFAOYSA-N86.8Ex 87.63(BP est) -36.97(MP est) ----(BP exp) ----(MP exp) CC#CCC=C -37PredN
C=CCCC#C119180.13C6H8hex-1-en-5-yneN146C=CCCC#CInChI=1S/C6H8/c1-3-5-6-4-2/h1,4H,2,5-6H2InChIKey=GHGNRQPVGKFJIR-UHFFFAOYSA-N70.4Ex 78.43(BP est) -69.22(MP est) ----(BP exp) ----(MP exp) C=CCCC#C -69.2PredN
CC=CC#CC119280.13C6H8hex-2-en-4-yneN146CC=CC#CCInChI=1S/C6H8/c1-3-5-6-4-2/h3,5H,1-2H3InChIKey=MASVKQBLNPTZME-UHFFFAOYSA-N90.0Ex 96.93(BP est) -35.91(MP est) 88.50(BP exp) ----(MP exp) CC=CC#CC -35.9PredN
CCC=CC#C119380.13C6H8hex-3-en-1-yneN146CCC=CC#CInChI=1S/C6H8/c1-3-5-6-4-2/h1,5-6H,4H2,2H3InChIKey=CLFYLNSQRWCJAY-UHFFFAOYSA-N77.0Ex 87.86(BP est) -68.12(MP est) ----(BP exp) ----(MP exp) CCC=CC#C -68.1PredN
CC=CCC#C119480.13C6H8hex-4-en-1-yneN146CC=CCC#CInChI=1S/C6H8/c1-3-5-6-4-2/h1,4,6H,5H2,2H3InChIKey=JLXNEPDKUYQIPV-UHFFFAOYSA-N87.9Ex 87.86(BP est) -68.12(MP est) ----(BP exp) ----(MP exp) CC=CCC#C -68.1PredN
C=CC=CC=C119580.13C6H8hexa-1,3,5-trieneN146C=CC=CC=CInChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2InChIKey=AFVDZBIIBXWASR-UHFFFAOYSA-N79.3Ex 75.50(BP est) -96.98(MP est) 78.00(BP exp) -12.00(MP exp) C=CC=CC=C -12ExptN
CC#CC1CC1119680.13C6H8prop-1-yn-1-ylcyclopropaneN146CC#CC1CC1InChI=1S/C6H8/c1-2-3-6-4-5-6/h6H,4-5H2,1H3InChIKey=LIWWTIQFDBDUHK-UHFFFAOYSA-N93.6Ex 93.60(BP est) -25.38(MP est) ----(BP exp) ----(MP exp) CC#CC1CC1 -25.4PredN
C#CCC1CC1119780.13C6H8prop-2-yn-1-ylcyclopropaneN146C#CCC1CC1InChI=1S/C6H8/c1-2-3-6-4-5-6/h1,6H,3-5H2InChIKey=WYQUDTBKJDQONL-UHFFFAOYSA-N84.5Ex 84.48(BP est) -57.60(MP est) ----(BP exp) ----(MP exp) C#CCC1CC1 -57.6PredN
C1=CC12CCC2119880.13C6H8spiro[2.3]hex-1-eneN146C1=CC12CCC2InChI=1S/C6H8/c1-2-6(3-1)4-5-6/h4-5H,1-3H2InChIKey=MTADUJBFHBFCHU-UHFFFAOYSA-N60.3Ex 77.37(BP est) -59.74(MP est) ----(BP exp) ----(MP exp) C1=CC12CCC2 -59.7PredN
C12(CC=C2)CC1119980.13C6H8spiro[2.3]hex-4-eneN146C12(CC=C2)CC1InChI=1S/C6H8/c1-2-6(3-1)4-5-6/h1-2H,3-5H2InChIKey=JYHKXHJIGKWRAV-UHFFFAOYSA-N77.4Ex 77.37(BP est) -59.74(MP est) ----(BP exp) ----(MP exp) C12(CC=C2)CC1 -59.7PredN
[H][C@@]12[C@]3([H])C[C@]3([H])[C@]1([H])C2120080.13C6H8tricyclo[3.1.0.0(2,4)]hexaneN146[H][C@@]12[C@]3([H])C[C@]3([H])[C@]1([H])C2InChI=1S/C6H8/c1-3-4(1)6-2-5(3)6/h3-6H,1-2H2InChIKey=CKOTZHFYKVFQTO-UHFFFAOYSA-N70.9Ex 70.17(BP est) -64.17(MP est) ----(BP exp) ----(MP exp) [H][C@@]12[C@]3([H])C[C@]3([H])[C@]1([H])C2 -64.2PredN
C=C(Cl)(F)120380.4864C2H2ClF1-chloro-1-fluoroetheneN64C=C(Cl)(F)InChI=1S/C2H2ClF/c1-2(3)4/h1H2InChIKey=FPBWSPZHCJXUBL-UHFFFAOYSA-N-24.0Ex -0.84(BP est) -130.11(MP est) ----(BP exp) ----(MP exp) C=C(Cl)(F) -130.1PredN
C(Cl)=C(F)120480.4864C2H2ClF1-chloro-2-fluoroetheneN64C(Cl)=C(F)InChI=1S/C2H2ClF/c3-1-2-4/h1-2HInChIKey=MTKHTBWXSHYCGS-UHFFFAOYSA-N-4.0Ex 17.03(BP est) -119.57(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(F) -119.6PredN
OC(C)Cl120580.511C2H5ClO1-chloroethan-1-olN94OC(C)ClInChI=1S/C2H5ClO/c1-2(3)4/h2,4H,1H3InChIKey=KJESGYZFVCIMDE-UHFFFAOYSA-N95.0Ex 94.98(BP est) -71.66(MP est) ----(BP exp) ----(MP exp) OC(C)Cl -71.7PredN
OCCCl120680.511C2H5ClO2-chloroethan-1-olN94OCCClInChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2InChIKey=SZIFAVKTNFCBPC-UHFFFAOYSA-N128.4Ex 129.64(BP est) -54.04(MP est) 128.60(BP exp) -67.50(MP exp) OCCCl -67.5ExptN
COCCl120780.511C2H5ClOchloro(methoxy)methaneN94COCClInChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3InChIKey=XJUZRXYOEPSWMB-UHFFFAOYSA-N58.2Ex 64.41(BP est) -92.38(MP est) 59.50(BP exp) -103.50(MP exp) COCCl -103.5ExptN
NNCCl120880.515CH5ClN2(chloromethyl)hydrazineN94NNCClInChI=1S/CH5ClN2/c2-1-4-3/h4H,1,3H2InChIKey=RTVHUKDQTKOHOW-UHFFFAOYSA-N124.5Ex 124.50(BP est) -23.63(MP est) ----(BP exp) ----(MP exp) NNCCl -23.6PredN
NC(F)(F)(C)121281.0658C2H5F2N1,1-difluoroethan-1-amineN105NC(F)(F)(C)InChI=1S/C2H5F2N/c1-2(3,4)5/h5H2,1H3InChIKey=DRMQXMPRWCPJAH-UHFFFAOYSA-N15.5Ex 15.48(BP est) -89.31(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(C) -89.3PredN
CNC(F)(F)121381.0658C2H5F2N1,1-difluoro-N-methylmethanamineN105CNC(F)(F)InChI=1S/C2H5F2N/c1-5-2(3)4/h2,5H,1H3InChIKey=MCAALAIWGSUKNG-UHFFFAOYSA-N5.0Ex 5.00(BP est) -116.38(MP est) ----(BP exp) ----(MP exp) CNC(F)(F) -116.4PredN
NC(F)(CF)121481.0658C2H5F2N1,2-difluoroethan-1-amineN105NC(F)(CF)InChI=1S/C2H5F2N/c3-1-2(4)5/h2H,1,5H2InChIKey=FGJYOKRKWGBUKB-UHFFFAOYSA-N26.1Ex 26.12(BP est) -94.91(MP est) ----(BP exp) ----(MP exp) NC(F)(CF) -94.9PredN
NC(C(F)F)121581.0658C2H5F2N2,2-difluoroethan-1-amineN105NC(C(F)F)InChI=1S/C2H5F2N/c3-2(4)1-5/h2H,1,5H2InChIKey=OVRWUZYZECPJOB-UHFFFAOYSA-N26.1Ex 26.12(BP est) -94.91(MP est) ----(BP exp) ----(MP exp) NC(C(F)F) -94.9PredN
C(F)NC(F)121681.0658C2H5F2Nbis(fluoromethyl)amineN105C(F)NC(F)InChI=1S/C2H5F2N/c3-1-5-2-4/h5H,1-2H2InChIKey=ANMWGSAJWUQMSM-UHFFFAOYSA-N21.3Ex 21.33(BP est) -104.11(MP est) ----(BP exp) ----(MP exp) C(F)NC(F) -104.1PredN
C1=CC(=O)N=C1121781.074C4H3NO2H-pyrrol-2-oneN96C1=CC(=O)N=C1InChI=1S/C4H3NO/c6-4-2-1-3-5-4/h1-3HInChIKey=VIXWGKYSYIBATJ-UHFFFAOYSA-N187.6Ex 187.61(BP est) 24.81(MP est) ----(BP exp) ----(MP exp) C1=CC(=O)N=C1 24.8PredN
O=C=C=C=NC121881.074C4H3NO3-(methylimino)propa-1,2-dien-1-oneN96O=C=C=C=NCInChI=1S/C4H3NO/c1-5-3-2-4-6/h1H3InChIKey=TYRNLNDZPWBIKE-UHFFFAOYSA-N51.0Ex 50.96(BP est) -92.12(MP est) ----(BP exp) ----(MP exp) O=C=C=C=NC -92.1PredN
C1=CN=CC1=O121981.074C4H3NO3H-pyrrol-3-oneN96C1=CN=CC1=OInChI=1S/C4H3NO/c6-4-1-2-5-3-4/h1-3HInChIKey=INTJZENRAYCATA-UHFFFAOYSA-N150.8Ex 150.84(BP est) -3.74(MP est) ----(BP exp) ----(MP exp) C1=CN=CC1=O -3.7PredN
O=C=NCC#C122081.074C4H3NO3-isocyanatoprop-1-yneN96O=C=NCC#CInChI=1S/C4H3NO/c1-2-3-5-4-6/h1H,3H2InChIKey=SHPPDIBKHYVIKL-UHFFFAOYSA-N100.6Ex 100.64(BP est) -25.64(MP est) ----(BP exp) ----(MP exp) O=C=NCC#C -25.6PredN
N#CC#CCO122181.074C4H3NO4-hydroxybut-2-ynenitrileN96N#CC#CCOInChI=1S/C4H3NO/c5-3-1-2-4-6/h6H,4H2InChIKey=KSMNKZULGQZFCH-UHFFFAOYSA-N215.1Ex 215.06(BP est) 32.33(MP est) ----(BP exp) ----(MP exp) N#CC#CCO 32.3PredN
N#C\C=C/C=O122281.074C4H3NO4-oxobut-2-enenitrileN96N#C\C=C/C=OInChI=1S/C4H3NO/c5-3-1-2-4-6/h1-2,4HInChIKey=KLGZZUFCTPLCSG-UHFFFAOYSA-N182.6Ex 182.63(BP est) -21.72(MP est) ----(BP exp) ----(MP exp) N#C\C=C/C=O -21.7PredN
N#CC(=O)C=C122381.074C4H3NOacryloyl cyanideN96N#CC(=O)C=CInChI=1S/C4H3NO/c1-2-4(6)3-5/h2H,1H2InChIKey=MJDVPXPHTLECMC-UHFFFAOYSA-N162.3Ex 162.26(BP est) -22.04(MP est) ----(BP exp) ----(MP exp) N#CC(=O)C=C -22PredN
C1=CN=NN=C1122681.078C3H3N31,2,3-triazineN96C1=CN=NN=C1InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3HInChIKey=JYEUMXHLPRZUAT-UHFFFAOYSA-N184.2Ex 184.15(BP est) 15.13(MP est) ----(BP exp) ----(MP exp) C1=CN=NN=C1 15.1PredN
N1=NC=CN=C1122781.078C3H3N31,2,4-triazineN96N1=NC=CN=C1InChI=1S/C3H3N3/c1-2-5-6-3-4-1/h1-3HInChIKey=FYADHXFMURLYQI-UHFFFAOYSA-N184.2Ex 184.15(BP est) 15.13(MP est) ----(BP exp) ----(MP exp) N1=NC=CN=C1 15.1PredN
N1=CN=CN=C1122881.078C3H3N31,3,5-triazineN96N1=CN=CN=C1InChI=1S/C3H3N3/c1-4-2-6-3-5-1/h1-3HInChIKey=JIHQDMXYYFUGFV-UHFFFAOYSA-N114.0Ex 135.00(BP est) 22.05(MP est) 114.00(BP exp) 86.00(MP exp) N1=CN=CN=C1 86ExptY(DNP 2017)
C(#N)C(C#N)N122981.078C3H3N32-aminomalononitrileN96C(#N)C(C#N)NInChI=1S/C3H3N3/c4-1-3(6)2-5/h3H,6H2InChIKey=GXDKXRIMUVUELI-UHFFFAOYSA-N226.3Ex 226.28(BP est) 33.56(MP est) ----(BP exp) ----(MP exp) C(#N)C(C#N)N 33.6PredN
N=C/1/N=C\C=N\1123081.078C3H3N32H-imidazol-2-imineN96N=C/1/N=C\C=N\1InChI=1S/C3H3N3/c4-3-5-1-2-6-3/h1-2,4HInChIKey=PFRDRCIPKPEULG-UHFFFAOYSA-N170.8Ex 170.77(BP est) 16.62(MP est) ----(BP exp) ----(MP exp) N=C/1/N=C\C=N\1 16.6PredN
[N-]=[N+]=NCC#C123181.078C3H3N33-azidoprop-1-yneN96[N-]=[N+]=NCC#CInChI=1S/C3H3N3/c1-2-3-5-6-4/h1H,3H2InChIKey=KNKSFTKZKDBSMH-UHFFFAOYSA-N78.0Ex 355.36(BP est) 139.60(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NCC#C 139.6PredN
O=S(O)N123281.089H3NO2Ssulfuramidous acidN74O=S(O)NInChI=1S/H3NO2S/c1-4(2)3/h1H2,(H,2,3)InChIKey=JXUFISIHEZOBPI-UHFFFAOYSA-N184.8Ex 594.49(BP est) 256.74(MP est) ----(BP exp) ----(MP exp) O=S(O)N 256.7PredN
C1C2(CC=C2)N1123381.118C5H7N1-azaspiro[2.3]hex-4-eneN136C1C2(CC=C2)N1InChI=1S/C5H7N/c1-2-5(3-1)4-6-5/h1-2,6H,3-4H2InChIKey=SJDCFTAVLQRWID-UHFFFAOYSA-N116.3Ex 116.29(BP est) -1.50(MP est) ----(BP exp) ----(MP exp) C1C2(CC=C2)N1 -1.5PredN
CN1C=CC=C1123481.118C5H7N1-methyl-1H-pyrroleN136CN1C=CC=C1InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3InChIKey=OXHNLMTVIGZXSG-UHFFFAOYSA-N133.1Ex 106.96(BP est) -53.02(MP est) 115.00(BP exp) ----(MP exp) CN1C=CC=C1 -53PredY(The Good Scents Company , Wishart et al. 2013, de Lacy Costello et al. 2014)
C#CCC1CN1123581.118C5H7N2-(prop-2-yn-1-yl)aziridineN136C#CCC1CN1InChI=1S/C5H7N/c1-2-3-5-4-6-5/h1,5-6H,3-4H2InChIKey=IGFCWHMADFWYIN-UHFFFAOYSA-N123.0Ex 122.98(BP est) 0.52(MP est) ----(BP exp) ----(MP exp) C#CCC1CN1 0.5PredN
C=CCC1=CN1123681.118C5H7N2-allyl-1H-azirineN136C=CCC1=CN1InChI=1S/C5H7N/c1-2-3-5-4-6-5/h2,4,6H,1,3H2InChIKey=CDRTYQJIBGTDOU-UHFFFAOYSA-N120.9Ex 120.88(BP est) -15.70(MP est) ----(BP exp) ----(MP exp) C=CCC1=CN1 -15.7PredN
N#CCC1CC1123781.118C5H7N2-cyclopropylacetonitrileN136N#CCC1CC1InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2InChIKey=FAUQRRGKJKMEIW-UHFFFAOYSA-N146.8Ex 146.76(BP est) -36.05(MP est) ----(BP exp) ----(MP exp) N#CCC1CC1 -36.1PredN
CC1(C#C)CN1123881.118C5H7N2-ethynyl-2-methylaziridineN136CC1(C#C)CN1InChI=1S/C5H7N/c1-3-5(2)4-6-5/h1,6H,4H2,2H3InChIKey=YIPCBUODEBOENO-UHFFFAOYSA-N110.6Ex 110.64(BP est) 8.87(MP est) ----(BP exp) ----(MP exp) CC1(C#C)CN1 8.9PredN
CC1C(C#C)N1123981.118C5H7N2-ethynyl-3-methylaziridineN136CC1C(C#C)N1InChI=1S/C5H7N/c1-3-5-4(2)6-5/h1,4-6H,2H3InChIKey=PSDDUPWVMIMVBZ-UHFFFAOYSA-N116.2Ex 116.23(BP est) -3.57(MP est) ----(BP exp) ----(MP exp) CC1C(C#C)N1 -3.6PredN
C#CC1NCC1124081.118C5H7N2-ethynylazetidineN136C#CC1NCC1InChI=1S/C5H7N/c1-2-5-3-4-6-5/h1,5-6H,3-4H2InChIKey=ZZDARAJSBNOCGZ-UHFFFAOYSA-N125.1Ex 125.10(BP est) -0.62(MP est) ----(BP exp) ----(MP exp) C#CC1NCC1 -0.6PredN
CC1=CC=CN1124181.118C5H7N2-methyl-1H-pyrroleN136CC1=CC=CN1InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3InChIKey=TVCXVUHHCUYLGX-UHFFFAOYSA-N144.8Ex 148.85(BP est) -26.35(MP est) 147.00(BP exp) -35.60(MP exp) CC1=CC=CN1 -35.6ExptY(de Lacy Costello et al. 2014)
CC(N1)=C1C=C124281.118C5H7N2-methyl-3-vinyl-1H-azirineN136CC(N1)=C1C=CInChI=1S/C5H7N/c1-3-5-4(2)6-5/h3,6H,1H2,2H3InChIKey=JYFUXVIXQPWHAV-UHFFFAOYSA-N118.9Ex 118.88(BP est) -10.02(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1C=C -10PredN
N#C/C(C)=C/C124381.118C5H7N2-methylbut-2-enenitrileN136N#C/C(C)=C/CInChI=1S/C5H7N/c1-3-5(2)4-6/h3H,1-2H3InChIKey=IHXNSHZBFXGOJM-UHFFFAOYSA-N138.2Ex 143.75(BP est) -55.41(MP est) ----(BP exp) ----(MP exp) N#C/C(C)=C/C -55.4PredY(de Lacy Costello et al. 2014)
N#CC(C=C)C124481.118C5H7N2-methylbut-3-enenitrileN136N#CC(C=C)CInChI=1S/C5H7N/c1-3-5(2)4-6/h3,5H,1H2,2H3InChIKey=WBAXCOMEMKANRN-UHFFFAOYSA-N127.6Ex 127.61(BP est) -58.98(MP est) ----(BP exp) ----(MP exp) N#CC(C=C)C -59PredY(de Lacy Costello et al. 2014)
N#CC1C(C)C1124581.118C5H7N2-methylcyclopropane-1-carbonitrileN136N#CC1C(C)C1InChI=1S/C5H7N/c1-4-2-5(4)3-6/h4-5H,2H2,1H3InChIKey=MWIZMXFPLVYCEB-UHFFFAOYSA-N145.0Ex 140.28(BP est) -40.06(MP est) ----(BP exp) ----(MP exp) N#CC1C(C)C1 -40.1PredN
C#CC1CNC1124681.118C5H7N3-ethynylazetidineN136C#CC1CNC1InChI=1S/C5H7N/c1-2-5-3-6-4-5/h1,5-6H,3-4H2InChIKey=SOXIPNKHMJEZMN-UHFFFAOYSA-N125.1Ex 125.10(BP est) -0.62(MP est) ----(BP exp) ----(MP exp) C#CC1CNC1 -0.6PredN
CC1=CNC=C1124781.118C5H7N3-methyl-1H-pyrroleN136CC1=CNC=C1InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3InChIKey=FEKWWZCCJDUWLY-UHFFFAOYSA-N142.9Ex 148.85(BP est) -26.35(MP est) 143.00(BP exp) -48.40(MP exp) CC1=CNC=C1 -48.4ExptY(de Lacy Costello et al. 2014)
N#CC=C(C)C124881.118C5H7N3-methylbut-2-enenitrileN136N#CC=C(C)CInChI=1S/C5H7N/c1-5(2)3-4-6/h3H,1-2H3InChIKey=AUGKLUNRHYPDAM-UHFFFAOYSA-N141.6Ex 143.75(BP est) -55.41(MP est) ----(BP exp) ----(MP exp) N#CC=C(C)C -55.4PredY(Gu et al. 2013)
N#CCC(C)=C124981.118C5H7N3-methylbut-3-enenitrileN136N#CCC(C)=CInChI=1S/C5H7N/c1-5(2)3-4-6/h1,3H2,2H3InChIKey=OIQDAVBXDLGCID-UHFFFAOYSA-N135.1Ex 135.14(BP est) -56.27(MP est) ----(BP exp) ----(MP exp) N#CCC(C)=C -56.3PredY(Gols et al. 2011, de Lacy Costello et al. 2014)
C1(N2)=C2CCC1125081.118C5H7N6-azabicyclo[3.1.0]hex-1(5)-eneN136C1(N2)=C2CCC1InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h6H,1-3H2InChIKey=WXMZMLYVDDJDFS-UHFFFAOYSA-N131.2Ex 131.22(BP est) 5.55(MP est) ----(BP exp) ----(MP exp) C1(N2)=C2CCC1 5.6PredN
C1(CC=C2)C2N1125181.118C5H7N6-azabicyclo[3.1.0]hex-2-eneN136C1(CC=C2)C2N1InChI=1S/C5H7N/c1-2-4-5(3-1)6-4/h1-2,4-6H,3H2InChIKey=LNLGDPVGJGHNII-UHFFFAOYSA-N121.8Ex 121.83(BP est) -13.95(MP est) ----(BP exp) ----(MP exp) C1(CC=C2)C2N1 -14PredN
N#CC1CCC1125281.118C5H7NcyclobutanecarbonitrileN136N#CC1CCC1InChI=1S/C5H7N/c6-4-5-2-1-3-5/h5H,1-3H2InChIKey=GFBLFDSCAKHHGX-UHFFFAOYSA-N149.6Ex 148.79(BP est) -37.21(MP est) 149.60(BP exp) ----(MP exp) N#CC1CCC1 -37.2PredN
NC(C=C1)(C=C1)125381.118C5H7Ncyclopenta-2,4-dien-1-amineN136NC(C=C1)(C=C1)InChI=1S/C5H7N/c6-5-3-1-2-4-5/h1-5H,6H2InChIKey=BYPDAAZBLBEWNV-UHFFFAOYSA-N126.1Ex 126.07(BP est) -35.71(MP est) ----(BP exp) ----(MP exp) NC(C=C1)(C=C1) -35.7PredN
[C-]#[N+]C1CCC1125481.118C5H7NisocyanocyclobutaneN136C#NC1CCC1InChI=1S/C5H7N/c1-6-5-3-2-4-5/h5H,2-4H2InChIKey=VNYCNUUHLFKQGU-UHFFFAOYSA-N29.0Ex 29.04(BP est) -102.12(MP est) ----(BP exp) ----(MP exp) C#NC1CCC1 -102.1PredN
NC(C#C)C=C125581.118C5H7Npent-1-en-4-yn-3-amineN136NC(C#C)C=CInChI=1S/C5H7N/c1-3-5(6)4-2/h1,4-5H,2,6H2InChIKey=HYLVUBKRKDGNNJ-UHFFFAOYSA-N104.0Ex 103.96(BP est) -33.27(MP est) ----(BP exp) ----(MP exp) NC(C#C)C=C -33.3PredN
CC/C=C\C#N125681.118C5H7Npent-2-enenitrileN136CC/C=C\C#NInChI=1S/C5H7N/c1-2-3-4-5-6/h3-4H,2H2,1H3InChIKey=ISBHMJZRKAFTGE-UHFFFAOYSA-N127.9Ex 149.81(BP est) -46.66(MP est) ----(BP exp) ----(MP exp) CC/C=C\C#N -46.7PredN
C/C=C/CC#N125781.118C5H7Npent-3-enenitrileN136C/C=C/CC#NInChI=1S/C5H7N/c1-2-3-4-5-6/h2-3H,4H2,1H3InChIKey=UVKXJAUUKPDDNW-UHFFFAOYSA-N144.8Ex 149.81(BP est) -46.66(MP est) ----(BP exp) ----(MP exp) C/C=C/CC#N -46.7PredN
C=CCCC#N125881.118C5H7Npent-4-enenitrileN136C=CCCC#NInChI=1S/C5H7N/c1-2-3-4-5-6/h2H,1,3-4H2InChIKey=CFEYBLWMNFZOPB-UHFFFAOYSA-N141.8Ex 141.29(BP est) -47.49(MP est) 140.00(BP exp) ----(MP exp) C=CCCC#N -47.5PredN
NOCCl126481.499CH4ClNOO-(chloromethyl)hydroxylamineN84NOCClInChI=1S/CH4ClNO/c2-1-4-3/h1,3H2InChIKey=NWGDDEBNJMFQME-UHFFFAOYSA-N105.0Ex 105.01(BP est) -44.53(MP est) ----(BP exp) ----(MP exp) NOCCl -44.5PredN
O=P(O)O126781.9948H3O3Pphosphonic acidN74O=P(O)OInChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)InChIKey=ABLZXFCXXLZCGV-UHFFFAOYSA-N135.6Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) O=P(O)O 90.3PredN
C(F)=C(F)(F)126982.0252C2HF31,1,2-trifluoroetheneN65C(F)=C(F)(F)InChI=1S/C2HF3/c3-1-2(4)5/h1HInChIKey=MIZLGWKEZAPEFJ-UHFFFAOYSA-N-56.6Ex -26.61(BP est) -153.67(MP est) -51.00(BP exp) ----(MP exp) C(F)=C(F)(F) -153.7PredN
C#CPC#C127082.0418C4H3PdiethynylphosphaneN85C#CPC#CInChI=1S/C4H3P/c1-3-5-4-2/h1-2,5HInChIKey=LHVNTSSULCQERE-UHFFFAOYSA-N80.9Ex 80.89(BP est) -47.90(MP est) ----(BP exp) ----(MP exp) C#CPC#C -47.9PredN
OC(F)(F)(C)127182.0498C2H4F2O1,1-difluoroethan-1-olN95OC(F)(F)(C)InChI=1S/C2H4F2O/c1-2(3,4)5/h5H,1H3InChIKey=VUYQBMXVCZBVHP-UHFFFAOYSA-N23.6Ex 23.63(BP est) -98.15(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(C) -98.2PredN
OC(F)(CF)127282.0498C2H4F2O1,2-difluoroethan-1-olN95OC(F)(CF)InChI=1S/C2H4F2O/c3-1-2(4)5/h2,5H,1H2InChIKey=CQAOHQIWYUYWRH-UHFFFAOYSA-N46.4Ex 46.38(BP est) -100.22(MP est) ----(BP exp) ----(MP exp) OC(F)(CF) -100.2PredN
OC(C(F)F)127382.0498C2H4F2O2,2-difluoroethan-1-olN95OC(C(F)F)InChI=1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2InChIKey=VOGSDFLJZPNWHY-UHFFFAOYSA-N93.3Ex 54.73(BP est) -97.78(MP est) 95.50(BP exp) -28.20(MP exp) OC(C(F)F) -28.2ExptN
COC(F)(F)127482.0498C2H4F2Odifluoro(methoxy)methaneN95COC(F)(F)InChI=1S/C2H4F2O/c1-5-2(3)4/h2H,1H3InChIKey=CGZAMBNIGLUBRY-UHFFFAOYSA-N-5.0Ex -18.05(BP est) -138.33(MP est) ----(BP exp) ----(MP exp) COC(F)(F) -138.3PredN
C(F)OC(F)127582.0498C2H4F2Ofluoro(fluoromethoxy)methaneN95C(F)OC(F)InChI=1S/C2H4F2O/c3-1-5-2-4/h1-2H2InChIKey=SGAMQLNREKTWEK-UHFFFAOYSA-N-1.3Ex -1.26(BP est) -125.93(MP est) ----(BP exp) ----(MP exp) C(F)OC(F) -125.9PredN
NNC(F)(F)127682.0538CH4F2N2(difluoromethyl)hydrazineN95NNC(F)(F)InChI=1S/CH4F2N2/c2-1(3)5-4/h1,5H,4H2InChIKey=USKHLWZYZGOYNL-UHFFFAOYSA-N49.0Ex 48.96(BP est) -67.55(MP est) ----(BP exp) ----(MP exp) NNC(F)(F) -67.6PredN
O=CC#CC=O127782.058C4H2O2but-2-ynedialN86O=CC#CC=OInChI=1S/C4H2O2/c5-3-1-2-4-6/h3-4HInChIKey=AZEBXWRLBFPUTO-UHFFFAOYSA-N160.2Ex 160.17(BP est) 15.82(MP est) ----(BP exp) ----(MP exp) O=CC#CC=O 15.8PredN
O=C1\C=C/C1=O127982.058C4H2O2cyclobut-3-ene-1,2-dioneN86O=C1\C=C/C1=OInChI=1S/C4H2O2/c5-3-1-2-4(3)6/h1-2HInChIKey=RGBVWCQARBEPPW-UHFFFAOYSA-N171.5Ex 171.52(BP est) 2.01(MP est) ----(BP exp) ----(MP exp) O=C1\C=C/C1=O 2PredN
O=C/1/N=C\C=N\1128082.062C3H2N2O2H-imidazol-2-oneN86O=C/1/N=C\C=N\1InChI=1S/C3H2N2O/c6-3-4-1-2-5-3/h1-2HInChIKey=WZELXJBMMZFDDU-UHFFFAOYSA-N163.3Ex 163.32(BP est) 13.65(MP est) ----(BP exp) ----(MP exp) O=C/1/N=C\C=N\1 13.7PredN
O=C1N=NC=C1128182.062C3H2N2O3H-pyrazol-3-oneN86O=C1N=NC=C1InChI=1S/C3H2N2O/c6-3-1-2-4-5-3/h1-2HInChIKey=JEXVQSWXXUJEMA-UHFFFAOYSA-N200.5Ex 200.53(BP est) 31.07(MP est) ----(BP exp) ----(MP exp) O=C1N=NC=C1 31.1PredN
O=C/1/C=N\C=N\1128282.062C3H2N2O4H-imidazol-4-oneN86O=C/1/C=N\C=N\1InChI=1S/C3H2N2O/c6-3-1-4-2-5-3/h1-2HInChIKey=JLXZMLLNPNOODV-UHFFFAOYSA-N200.5Ex 200.53(BP est) 31.07(MP est) ----(BP exp) ----(MP exp) O=C/1/C=N\C=N\1 31.1PredN
O=C/1/C=N\N=C\1128382.062C3H2N2O4H-pyrazol-4-oneN86O=C/1/C=N\N=C\1InChI=1S/C3H2N2O/c6-3-1-4-5-2-3/h1-2HInChIKey=OYODOQNYJLSLJE-UHFFFAOYSA-N164.8Ex 164.76(BP est) 6.50(MP est) ----(BP exp) ----(MP exp) O=C/1/C=N\N=C\1 6.5PredN
[N-]=[N+]=NCC#N128482.066C2H2N42-azidoacetonitrileN86[N-]=[N+]=NCC#NInChI=1S/C2H2N4/c3-1-2-5-6-4/h2H2InChIKey=SOUAUNWBTJIQRT-UHFFFAOYSA-N386.3Ex 386.25(BP est) 155.38(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NCC#N 155.4PredN
N#CNNC#N128582.066C2H2N4hydrazine-1,2-dicarbonitrileN86N#CNNC#NInChI=1S/C2H2N4/c3-1-5-6-2-4/h5-6HInChIKey=QVNJUFBAXGKRJY-UHFFFAOYSA-N239.0Ex 238.96(BP est) 42.06(MP est) ----(BP exp) ----(MP exp) N#CNNC#N 42.1PredN
O=S(O)O128682.073H2O3Ssulfurous acidN64O=S(O)OInChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)InChIKey=LSNNMFCWUKXFEE-UHFFFAOYSA-N201.6Ex 615.71(BP est) 264.33(MP est) ----(BP exp) ----(MP exp) O=S(O)O 264.3PredYref
FC#CC1=CC1128782.0774C5H3F1-(fluoroethynyl)cycloprop-1-eneN96FC#CC1=CC1InChI=1S/C5H3F/c6-4-3-5-1-2-5/h1H,2H2InChIKey=WUQBXKGLPUYTIZ-UHFFFAOYSA-N79.7Ex 79.70(BP est) -26.01(MP est) ----(BP exp) ----(MP exp) FC#CC1=CC1 -26PredN
FC(C1)=C1C#C128882.0774C5H3F1-ethynyl-2-fluorocycloprop-1-eneN96FC(C1)=C1C#CInChI=1S/C5H3F/c1-2-4-3-5(4)6/h1H,3H2InChIKey=YQTJYBCGSYNYSS-UHFFFAOYSA-N68.2Ex 68.22(BP est) -52.67(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1C#C -52.7PredN
C#CC1=CC1F128982.0774C5H3F1-ethynyl-3-fluorocycloprop-1-eneN96C#CC1=CC1FInChI=1S/C5H3F/c1-2-4-3-5(4)6/h1,3,5HInChIKey=DWJKRDNGZVMZHI-UHFFFAOYSA-N63.1Ex 63.07(BP est) -62.55(MP est) ----(BP exp) ----(MP exp) C#CC1=CC1F -62.6PredN
C(C)#C(C#CF)129082.0774C5H3F1-fluoropenta-1,3-diyneN96C(C)#C(C#CF)InChI=1S/C5H3F/c1-2-3-4-5-6/h1H3InChIKey=VYYBGLKUHAJQNB-UHFFFAOYSA-N85.1Ex 85.10(BP est) 10.88(MP est) ----(BP exp) ----(MP exp) C(C)#C(C#CF) 10.9PredN
C(C#C)(C#CF)129182.0774C5H3F1-fluoropenta-1,4-diyneN96C(C#C)(C#CF)InChI=1S/C5H3F/c1-2-3-4-5-6/h1H,3H2InChIKey=JYRILDTWPLASHQ-UHFFFAOYSA-N75.9Ex 75.86(BP est) -21.38(MP est) ----(BP exp) ----(MP exp) C(C#C)(C#CF) -21.4PredN
FC#CC1C=C1129282.0774C5H3F3-(fluoroethynyl)cycloprop-1-eneN96FC#CC1C=C1InChI=1S/C5H3F/c6-4-3-5-1-2-5/h1-2,5HInChIKey=MNZPKARPWHJYDC-UHFFFAOYSA-N74.6Ex 74.62(BP est) -35.87(MP est) ----(BP exp) ----(MP exp) FC#CC1C=C1 -35.9PredN
FC1=CC1C#C129382.0774C5H3F3-ethynyl-1-fluorocycloprop-1-eneN96FC1=CC1C#CInChI=1S/C5H3F/c1-2-4-3-5(4)6/h1,3-4HInChIKey=LCFZZGTXQXCRTG-UHFFFAOYSA-N63.1Ex 63.07(BP est) -62.55(MP est) ----(BP exp) ----(MP exp) FC1=CC1C#C -62.6PredN
FC1(C#C)C=C1129482.0774C5H3F3-ethynyl-3-fluorocycloprop-1-eneN96FC1(C#C)C=C1InChI=1S/C5H3F/c1-2-5(6)3-4-5/h1,3-4HInChIKey=YFMYEMDXNLPNTH-UHFFFAOYSA-N51.8Ex 51.77(BP est) -60.16(MP est) ----(BP exp) ----(MP exp) FC1(C#C)C=C1 -60.2PredN
C(F)(C#C)(C#C)129582.0774C5H3F3-fluoropenta-1,4-diyneN96C(F)(C#C)(C#C)InChI=1S/C5H3F/c1-3-5(6)4-2/h1-2,5HInChIKey=HRBFIVXHCUJIAU-UHFFFAOYSA-N51.1Ex 51.11(BP est) -65.67(MP est) ----(BP exp) ----(MP exp) C(F)(C#C)(C#C) -65.7PredN
C(CF)#C(C#C)129682.0774C5H3F5-fluoropenta-1,3-diyneN96C(CF)#C(C#C)InChI=1S/C5H3F/c1-2-3-4-5-6/h1H,5H2InChIKey=FEWMAAOGDBMJPQ-UHFFFAOYSA-N75.9Ex 75.86(BP est) -21.38(MP est) ----(BP exp) ----(MP exp) C(CF)#C(C#C) -21.4PredN
C#CC1(O)CC1129782.102C5H6O1-ethynylcyclopropan-1-olN126C#CC1(O)CC1InChI=1S/C5H6O/c1-2-5(6)3-4-5/h1,6H,3-4H2InChIKey=QPACLFFIDGQFRT-UHFFFAOYSA-N118.7Ex 118.66(BP est) -10.90(MP est) ----(BP exp) ----(MP exp) C#CC1(O)CC1 -10.9PredN
COC=CC#C129882.102C5H6O1-methoxybut-1-en-3-yneN126COC=CC#CInChI=1S/C5H6O/c1-3-4-5-6-2/h1,4-5H,2H3InChIKey=VTWTUVLDYHBQTC-UHFFFAOYSA-N123.5Ex 88.81(BP est) -62.37(MP est) ----(BP exp) ----(MP exp) COC=CC#C -62.4PredN
C1C2(CC=C2)O1129982.102C5H6O1-oxaspiro[2.3]hex-4-eneN126C1C2(CC=C2)O1InChI=1S/C5H6O/c1-2-5(3-1)4-6-5/h1-2H,3-4H2InChIKey=WXTUQNHENUFZMS-UHFFFAOYSA-N84.1Ex 84.05(BP est) -50.14(MP est) ----(BP exp) ----(MP exp) C1C2(CC=C2)O1 -50.1PredN
C#CCC1CO1130082.102C5H6O2-(prop-2-yn-1-yl)oxiraneN126C#CCC1CO1InChI=1S/C5H6O/c1-2-3-5-4-6-5/h1,5H,3-4H2InChIKey=OVSJEFPNKYVHJZ-UHFFFAOYSA-N91.1Ex 91.09(BP est) -48.02(MP est) ----(BP exp) ----(MP exp) C#CCC1CO1 -48PredN
C=CCC1=CO1130182.102C5H6O2-allyloxireneN126C=CCC1=CO1InChI=1S/C5H6O/c1-2-3-5-4-6-5/h2,4H,1,3H2InChIKey=NWKPGNPUQQAAFB-UHFFFAOYSA-N88.9Ex 88.88(BP est) -64.27(MP est) ----(BP exp) ----(MP exp) C=CCC1=CO1 -64.3PredN
O=CC=C1CC1130282.102C5H6O2-cyclopropylideneacetaldehydeN126O=CC=C1CC1InChI=1S/C5H6O/c6-4-3-5-1-2-5/h3-4H,1-2H2InChIKey=DZHDPYWCZZJOSY-UHFFFAOYSA-N122.9Ex 122.86(BP est) -47.22(MP est) ----(BP exp) ----(MP exp) O=CC=C1CC1 -47.2PredN
CC1(C#C)CO1130382.102C5H6O2-ethynyl-2-methyloxiraneN126CC1(C#C)CO1InChI=1S/C5H6O/c1-3-5(2)4-6-5/h1H,4H2,2H3InChIKey=FOEJSKSCKIOALZ-UHFFFAOYSA-N78.1Ex 78.11(BP est) -39.86(MP est) ----(BP exp) ----(MP exp) CC1(C#C)CO1 -39.9PredN
CC1C(C#C)O1130482.102C5H6O2-ethynyl-3-methyloxiraneN126CC1C(C#C)O1InChI=1S/C5H6O/c1-3-5-4(2)6-5/h1,4-5H,2H3InChIKey=TXLOJCYJMNYENV-UHFFFAOYSA-N84.0Ex 83.99(BP est) -52.22(MP est) ----(BP exp) ----(MP exp) CC1C(C#C)O1 -52.2PredN
C#CC1OCC1130582.102C5H6O2-ethynyloxetaneN126C#CC1OCC1InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2InChIKey=ADMZVQKLKIHRLR-UHFFFAOYSA-N93.3Ex 93.32(BP est) -49.13(MP est) ----(BP exp) ----(MP exp) C#CC1OCC1 -49.1PredN
COC(C#C)=C130682.102C5H6O2-methoxybut-1-en-3-yneN126COC(C#C)=CInChI=1S/C5H6O/c1-4-5(2)6-3/h1H,2H2,3H3InChIKey=SYYKUPKSKSHFEN-UHFFFAOYSA-N72.6Ex 72.59(BP est) -72.42(MP est) ----(BP exp) ----(MP exp) COC(C#C)=C -72.4PredN
CC(O1)=C1C=C130782.102C5H6O2-methyl-3-vinyloxireneN126CC(O1)=C1C=CInChI=1S/C5H6O/c1-3-5-4(2)6-5/h3H,1H2,2H3InChIKey=MNCNZAAMJKJZPO-UHFFFAOYSA-N86.8Ex 86.78(BP est) -58.63(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1C=C -58.6PredN
O=CC(C#C)C130882.102C5H6O2-methylbut-3-ynalN126O=CC(C#C)CInChI=1S/C5H6O/c1-3-5(2)4-6/h1,4-5H,2H3InChIKey=XDIFZBLCRBYDHT-UHFFFAOYSA-N103.0Ex 102.97(BP est) -53.31(MP est) ----(BP exp) ----(MP exp) O=CC(C#C)C -53.3PredN
O=CC(C=C)=C130982.102C5H6O2-methylenebut-3-enalN126O=CC(C=C)=CInChI=1S/C5H6O/c1-3-5(2)4-6/h3-4H,1-2H2InChIKey=MAIKQLKNUUQMOA-UHFFFAOYSA-N98.9Ex 98.88(BP est) -79.23(MP est) ----(BP exp) ----(MP exp) O=CC(C=C)=C -79.2PredN
O=CC1C(C1)=C131082.102C5H6O2-methylenecyclopropane-1-carbaldehydeN126O=CC1C(C1)=CInChI=1S/C5H6O/c1-4-2-5(4)3-6/h3,5H,1-2H2InChIKey=RVDQZNUZKSPPND-UHFFFAOYSA-N107.1Ex 107.09(BP est) -52.28(MP est) ----(BP exp) ----(MP exp) O=CC1C(C1)=C -52.3PredY(de Lacy Costello et al. 2014)
CC1=CC=CO1131182.102C5H6O2-methylfuranN126CC1=CC=CO1InChI=1S/C5H6O/c1-5-3-2-4-6-5/h2-4H,1H3InChIKey=VQKFNUFAXTZWDK-UHFFFAOYSA-N63.2Ex 84.34(BP est) -67.86(MP est) 65.00(BP exp) -87.50(MP exp) CC1=CC=CO1 -87.5ExptY(Romoli et al. 2011)
C#CCOC=C131282.102C5H6O3-(vinyloxy)prop-1-yneN126C#CCOC=CInChI=1S/C5H6O/c1-3-5-6-4-2/h1,4H,2,5H2InChIKey=RWZSJVGXOARUKI-UHFFFAOYSA-N79.4Ex 79.39(BP est) -63.46(MP est) ----(BP exp) ----(MP exp) C#CCOC=C -63.5PredN
C#CC1COC1131382.102C5H6O3-ethynyloxetaneN126C#CC1COC1InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2InChIKey=XUMRITXCAKXWFU-UHFFFAOYSA-N93.3Ex 93.32(BP est) -49.13(MP est) ----(BP exp) ----(MP exp) C#CC1COC1 -49.1PredN
CC1=COC=C1131482.102C5H6O3-methylfuranN126CC1=COC=C1InChI=1S/C5H6O/c1-5-2-3-6-4-5/h2-4H,1H3InChIKey=KJRRQXYWFQKJIP-UHFFFAOYSA-N65.5Ex 84.34(BP est) -67.86(MP est) 66.00(BP exp) ----(MP exp) CC1=COC=C1 -67.9PredY(Romoli et al. 2011, Papaleo et al. 2013, DNP 2017)
C1(O2)=C2CCC1131582.102C5H6O6-oxabicyclo[3.1.0]hex-1(5)-eneN126C1(O2)=C2CCC1InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-3H2InChIKey=DJQGARJHMZLWPJ-UHFFFAOYSA-N99.8Ex 99.76(BP est) -42.87(MP est) ----(BP exp) ----(MP exp) C1(O2)=C2CCC1 -42.9PredN
C1(CC=C2)C2O1131682.102C5H6O6-oxabicyclo[3.1.0]hex-2-eneN126C1(CC=C2)C2O1InChI=1S/C5H6O/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2InChIKey=ASZFCDOTGITCJI-UHFFFAOYSA-N112.0Ex 89.88(BP est) -62.51(MP est) ----(BP exp) ----(MP exp) C1(CC=C2)C2O1 -62.5PredN
O=CC1=CCC1131782.102C5H6Ocyclobut-1-ene-1-carbaldehydeN126O=CC1=CCC1InChI=1S/C5H6O/c6-4-5-2-1-3-5/h2,4H,1,3H2InChIKey=JKSNROQTUQPFQT-UHFFFAOYSA-N122.9Ex 122.94(BP est) -47.49(MP est) ----(BP exp) ----(MP exp) O=CC1=CCC1 -47.5PredN
O=CC1CC=C1131882.102C5H6Ocyclobut-2-ene-1-carbaldehydeN126O=CC1CC=C1InChI=1S/C5H6O/c6-4-5-2-1-3-5/h1-2,4-5H,3H2InChIKey=ZPOUJLCFWTUNTQ-UHFFFAOYSA-N118.2Ex 118.20(BP est) -57.26(MP est) ----(BP exp) ----(MP exp) O=CC1CC=C1 -57.3PredN
O=C1CCC=C1131982.102C5H6Ocyclopent-2-en-1-oneN126O=C1CCC=C1InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2InChIKey=BZKFMUIJRXWWQK-UHFFFAOYSA-N153.0Ex 133.57(BP est) -39.30(MP est) 136.00(BP exp) ----(MP exp) O=C1CCC=C1 -39.3PredY(Umano et al. 2000, de Lacy Costello et al. 2014)
O=C1CC=CC1132082.102C5H6Ocyclopent-3-en-1-oneN126O=C1CC=CC1InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2InChIKey=KQAVUGAZLAPNJY-UHFFFAOYSA-N133.6Ex 133.57(BP est) -39.30(MP est) ----(BP exp) ----(MP exp) O=C1CC=CC1 -39.3PredN
OC(C=C1)(C=C1)132182.102C5H6Ocyclopenta-2,4-dien-1-olN126OC(C=C1)(C=C1)InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-6HInChIKey=GRZIHXUWTOPZRY-UHFFFAOYSA-N143.5Ex 143.53(BP est) -41.83(MP est) ----(BP exp) ----(MP exp) OC(C=C1)(C=C1) -41.8PredN
OC(C#C)C=C132282.102C5H6Opent-1-en-4-yn-3-olN126OC(C#C)C=CInChI=1S/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2InChIKey=YALSXYCXTKPOFY-UHFFFAOYSA-N122.1Ex 122.08(BP est) -39.20(MP est) ----(BP exp) ----(MP exp) OC(C#C)C=C -39.2PredN
C#CC(CC)=O132382.102C5H6Opent-1-yn-3-oneN126C#CC(CC)=OInChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3InChIKey=GBCOTHPVQOTZKQ-UHFFFAOYSA-N103.5Ex 103.47(BP est) -41.70(MP est) ----(BP exp) ----(MP exp) C#CC(CC)=O -41.7PredN
OC/C=C/C#C132482.102C5H6Opent-2-en-4-yn-1-olN126OC/C=C/C#CInChI=1S/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2InChIKey=TWJDCTNDUKKEMU-UHFFFAOYSA-N151.7Ex 151.65(BP est) -24.73(MP est) ----(BP exp) ----(MP exp) OC/C=C/C#C -24.7PredN
O=CC#CCC132582.102C5H6Opent-2-ynalN126O=CC#CCCInChI=1S/C5H6O/c1-2-3-4-5-6/h5H,2H2,1H3InChIKey=VLTOSDJJTWPWLS-UHFFFAOYSA-N125.9Ex 125.88(BP est) -9.56(MP est) ----(BP exp) ----(MP exp) O=CC#CCC -9.6PredN
CC#CC(C)=O132682.102C5H6Opent-3-yn-2-oneN126CC#CC(C)=OInChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3InChIKey=DZOOXMGZVWHNAS-UHFFFAOYSA-N112.3Ex 112.33(BP est) -9.55(MP est) ----(BP exp) ----(MP exp) CC#CC(C)=O -9.6PredN
C(=O)CC#C(C)132782.102C5H6Opent-3-ynalN126C(=O)CC#C(C)InChI=1S/C5H6O/c1-2-3-4-5-6/h5H,4H2,1H3InChIKey=DAOZJOUHJZWTAG-UHFFFAOYSA-N125.9Ex 125.88(BP est) -9.56(MP est) ----(BP exp) ----(MP exp) C(=O)CC#C(C) -9.6PredN
CC(CC#C)=O132882.102C5H6Opent-4-yn-2-oneN126CC(CC#C)=OInChI=1S/C5H6O/c1-3-4-5(2)6/h1H,4H2,2H3InChIKey=ASVQKRFMRKDHTD-UHFFFAOYSA-N103.5Ex 103.47(BP est) -41.70(MP est) ----(BP exp) ----(MP exp) CC(CC#C)=O -41.7PredN
O=CCCC#C132982.102C5H6Opent-4-ynalN126O=CCCC#CInChI=1S/C5H6O/c1-2-3-4-5-6/h1,5H,3-4H2InChIKey=VWYVHZFRBJJWSM-UHFFFAOYSA-N117.2Ex 117.22(BP est) -41.65(MP est) ----(BP exp) ----(MP exp) O=CCCC#C -41.7PredN
C=CC(=O)C=C133082.102C5H6Openta-1,4-dien-3-oneN126C=CC(=O)C=CInChI=1S/C5H6O/c1-3-5(6)4-2/h3-4H,1-2H2InChIKey=UCUUFSAXZMGPGH-UHFFFAOYSA-N91.4Ex 91.40(BP est) -70.47(MP est) ----(BP exp) ----(MP exp) C=CC(=O)C=C -70.5PredN
O=CC=CC=C133182.102C5H6Openta-2,4-dienalN126O=CC=CC=CInChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2InChIKey=PPXGQLMPUIVFRE-UHFFFAOYSA-N114.5Ex 114.46(BP est) -69.36(MP est) ----(BP exp) ----(MP exp) O=CC=CC=C -69.4PredY(The Good Scents Company , Sun et al. 2012)
NC1(C#N)CC1133282.106C4H6N21-aminocyclopropane-1-carbonitrileN126NC1(C#N)CC1InChI=1S/C4H6N2/c5-3-4(6)1-2-4/h1-2,6H2InChIKey=UIVATUPCWVUVIM-UHFFFAOYSA-N171.1Ex 171.13(BP est) 19.02(MP est) ----(BP exp) ----(MP exp) NC1(C#N)CC1 19PredN
NN1C=CC=C1133382.106C4H6N21H-pyrrol-1-amineN126NN1C=CC=C1InChI=1S/C4H6N2/c5-6-3-1-2-4-6/h1-4H,5H2InChIKey=YNZAFFFENDLJQG-UHFFFAOYSA-N167.2Ex 167.17(BP est) 0.55(MP est) ----(BP exp) ----(MP exp) NN1C=CC=C1 0.6PredN
NC1=CNC=C1133482.106C4H6N21H-pyrrol-3-amineN126NC1=CNC=C1InChI=1S/C4H6N2/c5-4-1-2-6-3-4/h1-3,6H,5H2InChIKey=WAUGGYPDCQZJKK-UHFFFAOYSA-N204.7Ex 204.65(BP est) 25.94(MP est) ----(BP exp) ----(MP exp) NC1=CNC=C1 25.9PredN
CN1C=NC=C1133582.106C4H6N21-methyl-1H-imidazoleN126CN1C=NC=C1InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3InChIKey=MCTWTZJPVLRJOU-UHFFFAOYSA-N195.5Ex 194.34(BP est) 2.62(MP est) 195.50(BP exp) -6.00(MP exp) CN1C=NC=C1 -6ExptN
CN1N=CC=C1133682.106C4H6N21-methyl-1H-pyrazoleN126CN1N=CC=C1InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3InChIKey=UQFQONCQIQEYPJ-UHFFFAOYSA-N127.5Ex 118.00(BP est) -19.67(MP est) 127.00(BP exp) ----(MP exp) CN1N=CC=C1 -19.7PredN
CC1=NC=CN1133782.106C4H6N22-methyl-1H-imidazoleN126CC1=NC=CN1InChI=1S/C4H6N2/c1-4-5-2-3-6-4/h2-3H,1H3,(H,5,6)InChIKey=LXBGSDVWAMZHDD-UHFFFAOYSA-N215.5Ex 257.60(BP est) 35.54(MP est) 267.00(BP exp) 144.00(MP exp) CC1=NC=CN1 144ExptN
N/C(C)=C\C#N133882.106C4H6N23-aminobut-2-enenitrileN126N/C(C)=C\C#NInChI=1S/C4H6N2/c1-4(6)2-3-5/h2H,6H2,1H3InChIKey=DELJOESCKJGFML-UHFFFAOYSA-N179.4Ex 179.38(BP est) -9.02(MP est) ----(BP exp) ----(MP exp) N/C(C)=C\C#N -9PredN
CC1=NNC=C1133982.106C4H6N23-methyl-1H-pyrazoleN126CC1=NNC=C1InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)InChIKey=XKVUYEYANWFIJX-UHFFFAOYSA-N204.0Ex 196.19(BP est) 17.61(MP est) 204.00(BP exp) 36.50(MP exp) CC1=NNC=C1 36.5ExptY(de Lacy Costello et al. 2014)
CC1=CNC=N1134082.106C4H6N24-methyl-1H-imidazoleN126CC1=CNC=N1InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)InChIKey=XLSZMDLNRCVEIJ-UHFFFAOYSA-N263.0Ex 257.60(BP est) 35.54(MP est) 263.00(BP exp) 56.00(MP exp) CC1=CNC=N1 56ExptY(DNP 2017)
CC1=CNN=C1134182.106C4H6N24-methyl-1H-pyrazoleN126CC1=CNN=C1InChI=1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6)InChIKey=RIKMMFOAQPJVMX-UHFFFAOYSA-N206.0Ex 196.19(BP est) 17.61(MP est) 206.00(BP exp) ----(MP exp) CC1=CNN=C1 17.6PredN
N#CC1CNC1134282.106C4H6N2azetidine-3-carbonitrileN126N#CC1CNC1InChI=1S/C4H6N2/c5-1-4-2-6-3-4/h4,6H,2-3H2InChIKey=PBIUUJCEMUAWJJ-UHFFFAOYSA-N183.3Ex 183.27(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) N#CC1CNC1 19.7PredN
C#CC1=CS1134382.12C4H2S2-ethynylthiireneN75C#CC1=CS1InChI=1S/C4H2S/c1-2-4-3-5-4/h1,3HInChIKey=FOOPIQRPLNNFNM-UHFFFAOYSA-N110.8Ex 110.82(BP est) -13.70(MP est) ----(BP exp) ----(MP exp) C#CC1=CS1 -13.7PredN
C#CSC#C134482.12C4H2SdiethynylsulfaneN75C#CSC#CInChI=1S/C4H2S/c1-3-5-4-2/h1-2HInChIKey=OGSVMYXRMNUVEJ-UHFFFAOYSA-N109.7Ex 109.74(BP est) -29.78(MP est) ----(BP exp) ----(MP exp) C#CSC#C -29.8PredN
CC(C1C)=C1C134582.146C6H101,2,3-trimethylcycloprop-1-eneN166CC(C1C)=C1CInChI=1S/C6H10/c1-4-5(2)6(4)3/h4H,1-3H3InChIKey=VZKUPNNWWYRKCH-UHFFFAOYSA-N74.8Ex 74.78(BP est) -71.02(MP est) ----(BP exp) ----(MP exp) CC(C1C)=C1C -71PredN
CC(CC1)=C1C134682.146C6H101,2-dimethylcyclobut-1-eneN166CC(CC1)=C1CInChI=1S/C6H10/c1-5-3-4-6(5)2/h3-4H2,1-2H3InChIKey=PUAKTHBSHFXVAG-UHFFFAOYSA-N84.2Ex 84.23(BP est) -67.90(MP est) ----(BP exp) ----(MP exp) CC(CC1)=C1C -67.9PredN
CC1=CC1(C)C134782.146C6H101,3,3-trimethylcycloprop-1-eneN166CC1=CC1(C)CInChI=1S/C6H10/c1-5-4-6(5,2)3/h4H,1-3H3InChIKey=MRLAULBRWNYTDV-UHFFFAOYSA-N45.0Ex 63.66(BP est) -68.57(MP est) ----(BP exp) ----(MP exp) CC1=CC1(C)C -68.6PredN
CC1C=C(C)C1134882.146C6H101,3-dimethylcyclobut-1-eneN166CC1C=C(C)C1InChI=1S/C6H10/c1-5-3-6(2)4-5/h3,5H,4H2,1-2H3InChIKey=NMEAQEWKOFLHNI-UHFFFAOYSA-N55.1Ex 79.19(BP est) -77.75(MP est) ----(BP exp) ----(MP exp) CC1C=C(C)C1 -77.8PredN
CC1=CCC1C134982.146C6H101,4-dimethylcyclobut-1-eneN166CC1=CCC1CInChI=1S/C6H10/c1-5-3-4-6(5)2/h3,6H,4H2,1-2H3InChIKey=PLUQNMROKPQSCZ-UHFFFAOYSA-N79.2Ex 79.19(BP est) -77.75(MP est) ----(BP exp) ----(MP exp) CC1=CCC1C -77.8PredN
CC(C1)=C1CC135082.146C6H101-ethyl-2-methylcycloprop-1-eneN166CC(C1)=C1CCInChI=1S/C6H10/c1-3-6-4-5(6)2/h3-4H2,1-2H3InChIKey=MWHYQWSLQZOFCH-UHFFFAOYSA-N82.0Ex 81.97(BP est) -66.80(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1CC -66.8PredN
CCC1=CC1C135182.146C6H101-ethyl-3-methylcycloprop-1-eneN166CCC1=CC1CInChI=1S/C6H10/c1-3-6-4-5(6)2/h4-5H,3H2,1-2H3InChIKey=BTKYAOKJOOIBIJ-UHFFFAOYSA-N76.9Ex 76.92(BP est) -76.65(MP est) ----(BP exp) ----(MP exp) CCC1=CC1C -76.7PredN
CCC1=CCC1135282.146C6H101-ethylcyclobut-1-eneN166CCC1=CCC1InChI=1S/C6H10/c1-2-6-4-3-5-6/h4H,2-3,5H2,1H3InChIKey=RLCLUEAQYRHNDM-UHFFFAOYSA-N86.3Ex 86.34(BP est) -73.54(MP est) ----(BP exp) ----(MP exp) CCC1=CCC1 -73.5PredN
CC1(C=C)CC1135382.146C6H101-methyl-1-vinylcyclopropaneN166CC1(C=C)CC1InChI=1S/C6H10/c1-3-6(2)4-5-6/h3H,1,4-5H2,2H3InChIKey=IVEZRSRZCUPBIF-UHFFFAOYSA-N54.5Ex 60.61(BP est) -76.99(MP est) ----(BP exp) ----(MP exp) CC1(C=C)CC1 -77PredN
CC1CCC1=C135482.146C6H101-methyl-2-methylenecyclobutaneN166CC1CCC1=CInChI=1S/C6H10/c1-5-3-4-6(5)2/h6H,1,3-4H2,2H3InChIKey=AILUPXBGQCMKNH-UHFFFAOYSA-N71.9Ex 71.86(BP est) -79.69(MP est) ----(BP exp) ----(MP exp) CC1CCC1=C -79.7PredN
CC1CC1C=C135582.146C6H101-methyl-2-vinylcyclopropaneN166CC1CC1C=CInChI=1S/C6H10/c1-3-6-4-5(6)2/h3,5-6H,1,4H2,2H3InChIKey=JVVPJIPOOZHNTM-UHFFFAOYSA-N66.6Ex 66.64(BP est) -89.30(MP est) ----(BP exp) ----(MP exp) CC1CC1C=C -89.3PredN
CC12CC1CC2135682.146C6H101-methylbicyclo[2.1.0]pentaneN166CC12CC1CC2InChI=1S/C6H10/c1-6-3-2-5(6)4-6/h5H,2-4H2,1H3InChIKey=VFWJJSOVCZWTJG-UHFFFAOYSA-N64.5Ex 64.50(BP est) -64.24(MP est) ----(BP exp) ----(MP exp) CC12CC1CC2 -64.2PredN
CC1=CCCC1135782.146C6H101-methylcyclopent-1-eneN166CC1=CCCC1InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3InChIKey=ATQUFXWBVZUTKO-UHFFFAOYSA-N75.3Ex 88.59(BP est) -74.65(MP est) 75.50(BP exp) -126.50(MP exp) CC1=CCCC1 -126.5ExptY(DNP 2017)
CC1CC12CC2135882.146C6H101-methylspiro[2.2]pentaneN166CC1CC12CC2InChI=1S/C6H10/c1-5-4-6(5)2-3-6/h5H,2-4H2,1H3InChIKey=PUKPZTPDVZGJTA-UHFFFAOYSA-N64.5Ex 64.50(BP est) -64.24(MP est) ----(BP exp) ----(MP exp) CC1CC12CC2 -64.2PredN
CCCC1=CC1135982.146C6H101-propylcycloprop-1-eneN166CCCC1=CC1InChI=1S/C6H10/c1-2-3-6-4-5-6/h4H,2-3,5H2,1H3InChIKey=WTNKNGDMXNJRPB-UHFFFAOYSA-N84.1Ex 84.09(BP est) -72.44(MP est) ----(BP exp) ----(MP exp) CCCC1=CC1 -72.4PredN
C=C(C(C)=C)C136082.146C6H102,3-dimethylbuta-1,3-dieneN166C=C(C(C)=C)CInChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3InChIKey=SDJHPPZKZZWAKF-UHFFFAOYSA-N68.8Ex 53.88(BP est) -114.71(MP est) 68.80(BP exp) -76.00(MP exp) C=C(C(C)=C)C -76ExptY(Gu et al. 2013, de Lacy Costello et al. 2014, El-Sayed 2014)
C=C(C=CC)C136182.146C6H102-methylpenta-1,3-dieneN166C=C(C=CC)CInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3InChIKey=RCJMVGJKROQDCB-UHFFFAOYSA-N74.8Ex 70.54(BP est) -104.53(MP est) ----(BP exp) 75.00(MP exp) C=C(C=CC)C 75ExptY(Fiedler et al. 2001)
C=C(CC=C)C136282.146C6H102-methylpenta-1,4-dieneN166C=C(CC=C)CInChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3InChIKey=DRWYRROCDFQZQF-UHFFFAOYSA-N53.5Ex 60.86(BP est) -105.69(MP est) 56.00(BP exp) ----(MP exp) C=C(CC=C)C -105.7PredN
CC(C)=C=CC136382.146C6H102-methylpenta-2,3-dieneN166CC(C)=C=CCInChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-3H3InChIKey=JWMDOGMKTRMFDS-UHFFFAOYSA-N72.0Ex 74.41(BP est) -99.26(MP est) ----(BP exp) ----(MP exp) CC(C)=C=CC -99.3PredN
CC(C)(C#C)C136482.146C6H103,3-dimethylbut-1-yneN166CC(C)(C#C)CInChI=1S/C6H10/c1-5-6(2,3)4/h1H,2-4H3InChIKey=PPWNCLVNXGCGAF-UHFFFAOYSA-N37.4Ex 55.09(BP est) -73.94(MP est) 37.70(BP exp) -78.20(MP exp) CC(C)(C#C)C -78.2ExptY(de Lacy Costello et al. 2014)
CC1(CC=C1)C136582.146C6H103,3-dimethylcyclobut-1-eneN166CC1(CC=C1)CInChI=1S/C6H10/c1-6(2)4-3-5-6/h3-4H,5H2,1-2H3InChIKey=ZLUNIANKFULIMZ-UHFFFAOYSA-N68.2Ex 68.15(BP est) -75.28(MP est) ----(BP exp) ----(MP exp) CC1(CC=C1)C -75.3PredN
CC1=CC1CC136682.146C6H103-ethyl-1-methylcycloprop-1-eneN166CC1=CC1CCInChI=1S/C6H10/c1-3-6-4-5(6)2/h4,6H,3H2,1-2H3InChIKey=PAEBKUDBRRGNJJ-UHFFFAOYSA-N76.9Ex 76.92(BP est) -76.65(MP est) ----(BP exp) ----(MP exp) CC1=CC1CC -76.7PredN
CC1(CC)C=C1136782.146C6H103-ethyl-3-methylcycloprop-1-eneN166CC1(CC)C=C1InChI=1S/C6H10/c1-3-6(2)4-5-6/h4-5H,3H2,1-2H3InChIKey=AGDBJFIJDRSLHP-UHFFFAOYSA-N65.8Ex 65.84(BP est) -74.20(MP est) ----(BP exp) ----(MP exp) CC1(CC)C=C1 -74.2PredN
CCC1CC=C1136882.146C6H103-ethylcyclobut-1-eneN166CCC1CC=C1InChI=1S/C6H10/c1-2-6-4-3-5-6/h3-4,6H,2,5H2,1H3InChIKey=LDPRWJVPCXEVEY-UHFFFAOYSA-N81.3Ex 81.32(BP est) -83.39(MP est) ----(BP exp) ----(MP exp) CCC1CC=C1 -83.4PredN
CC1CCC=C1136982.146C6H103-methylcyclopent-1-eneN166CC1CCC=C1InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3InChIKey=CXOZQHPXKPDQGT-UHFFFAOYSA-N64.9Ex 83.58(BP est) -84.49(MP est) 64.90(BP exp) ----(MP exp) CC1CCC=C1 -84.5PredY(DNP 2017)
C=C(C=C)CC137082.146C6H103-methylenepent-1-eneN166C=C(C=C)CCInChI=1S/C6H10/c1-4-6(3)5-2/h4H,1,3,5H2,2H3InChIKey=IGLWCQMNTGCUBB-UHFFFAOYSA-N70.3Ex 60.86(BP est) -105.69(MP est) ----(BP exp) ----(MP exp) C=C(C=C)CC -105.7PredY(de Lacy Costello et al. 2014)
CC(C#C)CC137182.146C6H103-methylpent-1-yneN166CC(C#C)CCInChI=1S/C6H10/c1-4-6(3)5-2/h1,6H,5H2,2-3H3InChIKey=PLHJCCHSCFNKCC-UHFFFAOYSA-N57.7Ex 65.19(BP est) -79.70(MP est) ----(BP exp) ----(MP exp) CC(C#C)CC -79.7PredN
C=C=C(C)CC137282.146C6H103-methylpenta-1,2-dieneN166C=C=C(C)CCInChI=1S/C6H10/c1-4-6(3)5-2/h1,5H2,2-3H3InChIKey=INFFCVIZNSUFGK-UHFFFAOYSA-N70.0Ex 64.78(BP est) -100.41(MP est) 70.00(BP exp) ----(MP exp) C=C=C(C)CC -100.4PredN
CC=C(C=C)C137382.146C6H103-methylpenta-1,3-dieneN166CC=C(C=C)CInChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3InChIKey=BOGRNZQRTNVZCZ-UHFFFAOYSA-N76.6Ex 70.54(BP est) -104.53(MP est) 77.00(BP exp) ----(MP exp) CC=C(C=C)C -104.5PredY(de Lacy Costello et al. 2014, El-Sayed 2014)
CC(C=C)C=C137482.146C6H103-methylpenta-1,4-dieneN166CC(C=C)C=CInChI=1S/C6H10/c1-4-6(3)5-2/h4-6H,1-2H2,3H3InChIKey=IKQUUYYDRTYXAP-UHFFFAOYSA-N53.0Ex 52.42(BP est) -108.68(MP est) ----(BP exp) ----(MP exp) CC(C=C)C=C -108.7PredY(de Lacy Costello et al. 2014)
CCCC1C=C1137582.146C6H103-propylcycloprop-1-eneN166CCCC1C=C1InChI=1S/C6H10/c1-2-3-6-4-5-6/h4-6H,2-3H2,1H3InChIKey=VFGSVWMWDNAQMH-UHFFFAOYSA-N79.1Ex 79.05(BP est) -82.29(MP est) ----(BP exp) ----(MP exp) CCCC1C=C1 -82.3PredN
CC1CC=CC1137682.146C6H104-methylcyclopent-1-eneN166CC1CC=CC1InChI=1S/C6H10/c1-6-4-2-3-5-6/h2-3,6H,4-5H2,1H3InChIKey=FWMRUAODTCVEQK-UHFFFAOYSA-N66.7Ex 83.58(BP est) -84.49(MP est) 65.70(BP exp) -160.80(MP exp) CC1CC=CC1 -160.8ExptY(de Lacy Costello et al. 2014)
CC(CC#C)C137782.146C6H104-methylpent-1-yneN166CC(CC#C)CInChI=1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3InChIKey=OXRWICUICBZVAE-UHFFFAOYSA-N61.2Ex 65.19(BP est) -79.70(MP est) 61.20(BP exp) -104.60(MP exp) CC(CC#C)C -104.6ExptY(de Lacy Costello et al. 2014)
CC#CC(C)C137882.146C6H104-methylpent-2-yneN166CC#CC(C)CInChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3InChIKey=SLMFWJQZLPEDDU-UHFFFAOYSA-N73.0Ex 74.57(BP est) -47.40(MP est) ----(BP exp) ----(MP exp) CC#CC(C)C -47.4PredY(de Lacy Costello et al. 2014)
C=C=CC(C)C137982.146C6H104-methylpenta-1,2-dieneN166C=C=CC(C)CInChI=1S/C6H10/c1-4-5-6(2)3/h5-6H,1H2,2-3H3InChIKey=CAAAXQFHDYHTTC-UHFFFAOYSA-N70.0Ex 56.38(BP est) -103.39(MP est) ----(BP exp) ----(MP exp) C=C=CC(C)C -103.4PredN
C=CC=C(C)C138082.146C6H104-methylpenta-1,3-dieneN166C=CC=C(C)CInChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,1H2,2-3H3InChIKey=CJSBUWDGPXGFGA-UHFFFAOYSA-N76.3Ex 70.54(BP est) -104.53(MP est) 76.50(BP exp) ----(MP exp) C=CC=C(C)C -104.5PredY(Galindo-Cuspinera et al. 2002, de Lacy Costello et al. 2014)
CC1C2C1CC2138182.146C6H105-methylbicyclo[2.1.0]pentaneN166CC1C2C1CC2InChI=1S/C6H10/c1-4-5-2-3-6(4)5/h4-6H,2-3H2,1H3InChIKey=PEDLOCJHSNBDBB-UHFFFAOYSA-N70.5Ex 70.50(BP est) -76.56(MP est) ----(BP exp) ----(MP exp) CC1C2C1CC2 -76.6PredN
C=CCC1CC1138282.146C6H10allylcyclopropaneN166C=CCC1CC1InChI=1S/C6H10/c1-2-3-6-4-5-6/h2,6H,1,3-5H2InChIKey=KFOFBFGOHWSECN-UHFFFAOYSA-N73.9Ex 73.92(BP est) -85.05(MP est) ----(BP exp) ----(MP exp) C=CCC1CC1 -85.1PredN
C1(CC2)CC2C1138382.146C6H10bicyclo[2.1.1]hexaneN166C1(CC2)CC2C1InChI=1S/C6H10/c1-2-6-3-5(1)4-6/h5-6H,1-4H2InChIKey=JSMRMEYFZHIPJV-UHFFFAOYSA-N70.9Ex 80.01(BP est) -73.42(MP est) ----(BP exp) ----(MP exp) C1(CC2)CC2C1 -73.4PredN
C12CCC1CC2138482.146C6H10bicyclo[2.2.0]hexaneN166C12CCC1CC2InChI=1S/C6H10/c1-2-6-4-3-5(1)6/h5-6H,1-4H2InChIKey=YZLCEXRVQZNGEK-UHFFFAOYSA-N90.0Ex 80.01(BP est) -73.42(MP est) ----(BP exp) ----(MP exp) C12CCC1CC2 -73.4PredN
C12CC1CCC2138582.146C6H10bicyclo[3.1.0]hexaneN166C12CC1CCC2InChI=1S/C6H10/c1-2-5-4-6(5)3-1/h5-6H,1-4H2InChIKey=JAPMJSVZDUYFKL-UHFFFAOYSA-N79.5Ex 80.01(BP est) -73.42(MP est) ----(BP exp) ----(MP exp) C12CC1CCC2 -73.4PredN
C1CCC=CC1138682.146C6H10cyclohexeneN166C1CCC=CC1InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2InChIKey=HGCIXCUEYOPUTN-UHFFFAOYSA-N95.5Ex 92.92(BP est) -81.40(MP est) 82.90(BP exp) -103.50(MP exp) C1CCC=CC1 -103.5ExptY(de Lacy Costello et al. 2014)
CC=C1CCC1138782.146C6H10ethylidenecyclobutaneN166CC=C1CCC1InChI=1S/C6H10/c1-2-6-4-3-5-6/h2H,3-5H2,1H3InChIKey=FYHISAJRLZLAQP-UHFFFAOYSA-N80.3Ex 88.51(BP est) -74.37(MP est) ----(BP exp) ----(MP exp) CC=C1CCC1 -74.4PredN
CCCCC#C138882.146C6H10hex-1-yneN166CCCCC#CInChI=1S/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3InChIKey=CGHIBGNXEGJPQZ-UHFFFAOYSA-N71.3Ex 80.28(BP est) -67.80(MP est) 71.30(BP exp) -131.90(MP exp) CCCCC#C -131.9ExptN
CC#CCCC138982.146C6H10hex-2-yneN166CC#CCCCInChI=1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3InChIKey=MELUCTCJOARQQG-UHFFFAOYSA-N84.1Ex 89.46(BP est) -35.55(MP est) 84.50(BP exp) -89.60(MP exp) CC#CCCC -89.6ExptN
CCC#CCC139082.146C6H10hex-3-yneN166CCC#CCCInChI=1S/C6H10/c1-3-5-6-4-2/h3-4H2,1-2H3InChIKey=DQQNMIPXXNPGCV-UHFFFAOYSA-N81.0Ex 89.46(BP est) -35.55(MP est) 81.00(BP exp) -103.00(MP exp) CCC#CCC -103ExptN
C=C=CCCC139182.146C6H10hexa-1,2-dieneN166C=C=CCCCInChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3InChIKey=XIAJQOBRHVKGSP-UHFFFAOYSA-N75.3Ex 71.66(BP est) -91.43(MP est) ----(BP exp) ----(MP exp) C=C=CCCC -91.4PredN
CCC=CC=C139282.146C6H10hexa-1,3-dieneN166CCC=CC=CInChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3InChIKey=AHAREKHAZNPPMI-UHFFFAOYSA-N72.7Ex 77.36(BP est) -95.56(MP est) 73.20(BP exp) -102.40(MP exp) CCC=CC=C -102.4ExptY(Belay and Daniels 1987)
CC=CCC=C139382.146C6H10hexa-1,4-dieneN166CC=CCC=CInChI=1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3InChIKey=PRBHEGAFLDMLAL-UHFFFAOYSA-N66.8Ex 77.36(BP est) -95.56(MP est) 65.00(BP exp) -138.70(MP exp) CC=CCC=C -138.7ExptY(Leejeerajumnean et al. 2001, Leejeerajumnean et al. 2001)
C=CCCC=C139482.146C6H10hexa-1,5-dieneN166C=CCCC=CInChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2InChIKey=PYGSKMBEVAICCR-UHFFFAOYSA-N59.4Ex 67.78(BP est) -96.69(MP est) 59.40(BP exp) -140.70(MP exp) C=CCCC=C -140.7ExptY(DNP 2017)
CC=C=CCC139582.146C6H10hexa-2,3-dieneN166CC=C=CCCInChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3InChIKey=DPUXQWOMYBMHRN-UHFFFAOYSA-N68.0Ex 81.19(BP est) -90.30(MP est) ----(BP exp) ----(MP exp) CC=C=CCC -90.3PredN
CC=CC=CC139682.146C6H10hexa-2,4-dieneN166CC=CC=CCInChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3InChIKey=APPOKADJQUIAHP-UHFFFAOYSA-N81.3Ex 86.81(BP est) -94.46(MP est) 82.20(BP exp) -44.90(MP exp) CC=CC=CC -44.9ExptY(Fiedler et al. 2001)
C=C1CCCC1139782.146C6H10methylenecyclopentaneN166C=C1CCCC1InChI=1S/C6H10/c1-6-4-2-3-5-6/h1-5H2InChIKey=NFJPEKRRHIYYES-UHFFFAOYSA-N75.3Ex 81.35(BP est) -76.56(MP est) 75.50(BP exp) ----(MP exp) C=C1CCCC1 -76.6PredY(Irwin et al. 2012)
CC=CC1CC1139882.146C6H10prop-1-en-1-ylcyclopropaneN166CC=CC1CC1InChI=1S/C6H10/c1-2-3-6-4-5-6/h2-3,6H,4-5H2,1H3InChIKey=TWAJIXJFYMNJJO-UHFFFAOYSA-N83.4Ex 83.42(BP est) -83.94(MP est) ----(BP exp) ----(MP exp) CC=CC1CC1 -83.9PredN
CC(C1CC1)=C139982.146C6H10prop-1-en-2-ylcyclopropaneN166CC(C1CC1)=CInChI=1S/C6H10/c1-5(2)6-3-4-6/h6H,1,3-4H2,2H3InChIKey=MKPHNILWOMCVTH-UHFFFAOYSA-N70.3Ex 67.07(BP est) -94.03(MP est) 70.00(BP exp) ----(MP exp) CC(C1CC1)=C -94PredN
CC(C)=C1CC1140082.146C6H10propan-2-ylidenecyclopropaneN166CC(C)=C1CC1InChI=1S/C6H10/c1-5(2)6-3-4-6/h3-4H2,1-2H3InChIKey=WRKAQWHUTDUJHT-UHFFFAOYSA-N79.5Ex 79.53(BP est) -82.21(MP est) ----(BP exp) ----(MP exp) CC(C)=C1CC1 -82.2PredN
CCC=C1CC1140182.146C6H10propylidenecyclopropaneN166CCC=C1CC1InChI=1S/C6H10/c1-2-3-6-4-5-6/h3H,2,4-5H2,1H3InChIKey=FTJHRVWWPKMONX-UHFFFAOYSA-N86.3Ex 86.26(BP est) -73.27(MP est) ----(BP exp) ----(MP exp) CCC=C1CC1 -73.3PredN
C12(CCC2)CC1140282.146C6H10spiro[2.3]hexaneN166C12(CCC2)CC1InChI=1S/C6H10/c1-2-6(3-1)4-5-6/h1-5H2InChIKey=FYGUBWKMMCWIKB-UHFFFAOYSA-N74.1Ex 74.10(BP est) -61.08(MP est) ----(BP exp) ----(MP exp) C12(CCC2)CC1 -61.1PredN
C=CC1CCC1140382.146C6H10vinylcyclobutaneN166C=CC1CCC1InChI=1S/C6H10/c1-2-6-4-3-5-6/h2,6H,1,3-5H2InChIKey=SQZFVNSRRPRBQP-UHFFFAOYSA-N68.5Ex 76.21(BP est) -86.14(MP est) ----(BP exp) ----(MP exp) C=CC1CCC1 -86.1PredN
ClCP140482.4668CH4ClP(chloromethyl)phosphaneN73ClCPInChI=1S/CH4ClP/c2-1-3/h1,3H2InChIKey=NSRSKCIMAREEBU-UHFFFAOYSA-N-68.0Ex 76.81(BP est) -89.82(MP est) ----(BP exp) ----(MP exp) ClCP -89.8PredN
C(C(Cl)F)140582.5024C2H4ClF1-chloro-1-fluoroethaneN84C(C(Cl)F)InChI=1S/C2H4ClF/c1-2(3)4/h2H,1H3InChIKey=YACLCMMBHTUQON-UHFFFAOYSA-N16.2Ex 9.50(BP est) -126.73(MP est) 16.20(BP exp) ----(MP exp) C(C(Cl)F) -126.7PredN
C(Cl)(CF)140682.5024C2H4ClF1-chloro-2-fluoroethaneN84C(Cl)(CF)InChI=1S/C2H4ClF/c3-1-2-4/h1-2H2InChIKey=VEZJSKSPVQQGIS-UHFFFAOYSA-N53.0Ex 40.17(BP est) -110.28(MP est) 53.10(BP exp) -50.00(MP exp) C(Cl)(CF) -50ExptN
SCCl140782.545CH3ClSchloromethanethiolN63SCClInChI=1S/CH3ClS/c2-1-3/h3H,1H2InChIKey=JUIFJMUPAOYEHW-UHFFFAOYSA-N99.6Ex 99.64(BP est) -80.62(MP est) ----(BP exp) ----(MP exp) SCCl -80.6PredN
B(NC=C)(C)C140882.941C4H10BN1,1-dimethyl-N-vinylboranamineN166B(NC=C)(C)CInChI=1S/C4H10BN/c1-4-6-5(2)3/h4,6H,1H2,2-3H3InChIKey=NIQAMSXHEGVOOQ-UHFFFAOYSA-N65.1Ex 65.08(BP est) -87.23(MP est) ----(BP exp) ----(MP exp) B(NC=C)(C)C -87.2PredN
NOC(F)F141083.0378CH3F2NOO-(difluoromethyl)hydroxylamineN85NOC(F)FInChI=1S/CH3F2NO/c2-1(3)5-4/h1H,4H2InChIKey=VTUWFLNXBQHVGN-UHFFFAOYSA-N27.2Ex 27.16(BP est) -89.13(MP est) ----(BP exp) ----(MP exp) NOC(F)F -89.1PredN
C(=C=O)N=C=O141183.046C3HNO22-isocyanatoethen-1-oneN76C(=C=O)N=C=OInChI=1S/C3HNO2/c5-2-1-4-3-6/h1HInChIKey=OVCQZLNWRVYUHT-UHFFFAOYSA-N64.7Ex 64.68(BP est) -54.05(MP est) ----(BP exp) ----(MP exp) C(=C=O)N=C=O -54.1PredN
O=C1N=NC=N1141283.05C2HN3O3H-1,2,4-triazol-3-oneN76O=C1N=NC=N1InChI=1S/C2HN3O/c6-2-3-1-4-5-2/h1HInChIKey=MDTUWBLTRPRXBX-UHFFFAOYSA-N176.9Ex 176.91(BP est) 18.70(MP est) ----(BP exp) ----(MP exp) O=C1N=NC=N1 18.7PredN
O=C\1\C=N/N=N/1141383.05C2HN3O4H-1,2,3-triazol-4-oneN76O=C\1\C=N/N=N/1InChI=1S/C2HN3O/c6-2-1-3-5-4-2/h1HInChIKey=FFSJPOPLSWBGQY-UHFFFAOYSA-N213.1Ex 213.08(BP est) 51.64(MP est) ----(BP exp) ----(MP exp) O=C\1\C=N/N=N/1 51.6PredN
FC#CC1=CN1141483.0654C4H2FN2-(fluoroethynyl)-1H-azirineN86FC#CC1=CN1InChI=1S/C4H2FN/c5-2-1-4-3-6-4/h3,6HInChIKey=BMYCKHRHICSRPS-UHFFFAOYSA-N118.5Ex 118.48(BP est) -6.15(MP est) ----(BP exp) ----(MP exp) FC#CC1=CN1 -6.2PredN
FC(N1)=C1C#C141583.0654C4H2FN2-ethynyl-3-fluoro-1H-azirineN86FC(N1)=C1C#CInChI=1S/C4H2FN/c1-2-3-4(5)6-3/h1,6HInChIKey=GIHORTMBQDVNQM-UHFFFAOYSA-N107.7Ex 107.68(BP est) 5.73(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1C#C 5.7PredN
C#CON1CC1141683.09C4H5NO1-(ethynyloxy)aziridineN116C#CON1CC1InChI=1S/C4H5NO/c1-2-6-5-3-4-5/h1H,3-4H2InChIKey=YFIXMJWJEYBMBC-UHFFFAOYSA-N96.6Ex 96.61(BP est) -16.02(MP est) ----(BP exp) ----(MP exp) C#CON1CC1 -16PredN
O=C1NCC=C1141783.09C4H5NO1,5-dihydro-2H-pyrrol-2-oneN116O=C1NCC=C1InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-2H,3H2,(H,5,6)InChIKey=CDCHBOQVXIGZHA-UHFFFAOYSA-N238.8Ex 238.78(BP est) 47.66(MP est) ----(BP exp) ----(MP exp) O=C1NCC=C1 47.7PredN
ON1C=CC=C1141883.09C4H5NO1H-pyrrol-1-olN116ON1C=CC=C1InChI=1S/C4H5NO/c6-5-3-1-2-4-5/h1-4,6HInChIKey=XBIAGSJDARBSKG-UHFFFAOYSA-N152.7Ex 152.73(BP est) 4.30(MP est) ----(BP exp) ----(MP exp) ON1C=CC=C1 4.3PredN
OC1=CC=CN1141983.09C4H5NO1H-pyrrol-2-olN116OC1=CC=CN1InChI=1S/C4H5NO/c6-4-2-1-3-5-4/h1-3,5-6HInChIKey=WLODWTPNUWYZKN-UHFFFAOYSA-N191.3Ex 191.32(BP est) 19.36(MP est) ----(BP exp) ----(MP exp) OC1=CC=CN1 19.4PredN
OC1=CNC=C1142083.09C4H5NO1H-pyrrol-3-olN116OC1=CNC=C1InChI=1S/C4H5NO/c6-4-1-2-5-3-4/h1-3,5-6HInChIKey=ZPOROQKDAPEMOL-UHFFFAOYSA-N191.3Ex 191.32(BP est) 19.36(MP est) ----(BP exp) ----(MP exp) OC1=CNC=C1 19.4PredN
C#CN1CCO1142183.09C4H5NO2-ethynyl-1,2-oxazetidineN116C#CN1CCO1InChI=1S/C4H5NO/c1-2-5-3-4-6-5/h1H,3-4H2InChIKey=IEPBYRXIKSIRGL-UHFFFAOYSA-N104.4Ex 104.36(BP est) -13.35(MP est) ----(BP exp) ----(MP exp) C#CN1CCO1 -13.4PredN
N1C=CC=CO1142283.09C4H5NO2H-1,2-oxazineN116N1C=CC=CO1InChI=1S/C4H5NO/c1-2-4-6-5-3-1/h1-5HInChIKey=BCHZICNRHXRCHY-UHFFFAOYSA-N140.0Ex 140.01(BP est) -12.75(MP est) ----(BP exp) ----(MP exp) N1C=CC=CO1 -12.8PredN
N#CC(C=C)O142383.09C4H5NO2-hydroxybut-3-enenitrileN116N#CC(C=C)OInChI=1S/C4H5NO/c1-2-4(6)3-5/h2,4,6H,1H2InChIKey=WKFMHXZXCCJSJK-UHFFFAOYSA-N188.0Ex 180.57(BP est) -18.75(MP est) ----(BP exp) ----(MP exp) N#CC(C=C)O -18.8PredN
N#CC(C=O)C142483.09C4H5NO2-methyl-3-oxopropanenitrileN116N#CC(C=O)CInChI=1S/C4H5NO/c1-4(2-5)3-6/h3-4H,1H3InChIKey=IATHTLTVQXMDPC-UHFFFAOYSA-N163.4Ex 163.41(BP est) -32.29(MP est) ----(BP exp) ----(MP exp) N#CC(C=O)C -32.3PredN
CC1=NC=CO1142583.09C4H5NO2-methyloxazoleN116CC1=NC=CO1InChI=1S/C4H5NO/c1-4-5-2-3-6-4/h2-3H,1H3InChIKey=ZCHCHJQEWYIJDQ-UHFFFAOYSA-N95.8Ex 95.78(BP est) -34.38(MP est) ----(BP exp) ----(MP exp) CC1=NC=CO1 -34.4PredN
C=CCN=C=O142683.09C4H5NO3-isocyanatoprop-1-eneN116C=CCN=C=OInChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2InChIKey=HXBPYFMVGFDZFT-UHFFFAOYSA-N86.0Ex 90.34(BP est) -53.02(MP est) 87.00(BP exp) ----(MP exp) C=CCN=C=O -53PredN
N#CC=COC142783.09C4H5NO3-methoxyacrylonitrileN116N#CC=COCInChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3InChIKey=IPCRTSDORDQHRO-UHFFFAOYSA-N150.7Ex 150.66(BP est) -40.93(MP est) ----(BP exp) ----(MP exp) N#CC=COC -40.9PredN
CC1=NOC=C1142883.09C4H5NO3-methylisoxazoleN116CC1=NOC=C1InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3InChIKey=CUMCMYMKECWGHO-UHFFFAOYSA-N118.3Ex 95.78(BP est) -34.38(MP est) ----(BP exp) ----(MP exp) CC1=NOC=C1 -34.4PredN
N#CCC(C)=O142983.09C4H5NO3-oxobutanenitrileN116N#CCC(C)=OInChI=1S/C4H5NO/c1-4(6)2-3-5/h2H2,1H3InChIKey=OPXYNEYEDHAXOM-UHFFFAOYSA-N163.9Ex 163.86(BP est) -20.69(MP est) ----(BP exp) ----(MP exp) N#CCC(C)=O -20.7PredN
CC1=CON=C1143083.09C4H5NO4-methylisoxazoleN116CC1=CON=C1InChI=1S/C4H5NO/c1-4-2-5-6-3-4/h2-3H,1H3InChIKey=VHWFNFITHSPBSR-UHFFFAOYSA-N121.0Ex 95.78(BP est) -34.38(MP est) ----(BP exp) ----(MP exp) CC1=CON=C1 -34.4PredN
CC1=COC=N1143183.09C4H5NO4-methyloxazoleN116CC1=COC=N1InChI=1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3InChIKey=PUMREIFKTMLCAF-UHFFFAOYSA-N88.0Ex 95.78(BP est) -34.38(MP est) 88.00(BP exp) ----(MP exp) CC1=COC=N1 -34.4PredN
N#CCCC=O143283.09C4H5NO4-oxobutanenitrileN116N#CCCC=OInChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2InChIKey=CGFGIKNLZTZJDE-UHFFFAOYSA-N176.2Ex 176.21(BP est) -21.05(MP est) ----(BP exp) ----(MP exp) N#CCCC=O -21.1PredN
CC1=CC=NO1143383.09C4H5NO5-methylisoxazoleN116CC1=CC=NO1InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3InChIKey=AGQOIYCTCOEHGR-UHFFFAOYSA-N121.9Ex 95.78(BP est) -34.38(MP est) 122.00(BP exp) ----(MP exp) CC1=CC=NO1 -34.4PredN
C#CCC(N)=O143483.09C4H5NObut-3-ynamideN116C#CCC(N)=OInChI=1S/C4H5NO/c1-2-3-4(5)6/h1H,3H2,(H2,5,6)InChIKey=OTDADMIMLSDQCC-UHFFFAOYSA-N224.1Ex 224.08(BP est) 48.82(MP est) ----(BP exp) ----(MP exp) C#CCC(N)=O 48.8PredN
O=C=NC1CC1143583.09C4H5NOisocyanatocyclopropaneN116O=C=NC1CC1InChI=1S/C4H5NO/c6-3-5-4-1-2-4/h4H,1-2H2InChIKey=DBBRJAWSDTYYBM-UHFFFAOYSA-N96.3Ex 96.29(BP est) -41.43(MP est) ----(BP exp) ----(MP exp) O=C=NC1CC1 -41.4PredN
C#CCNC=O143683.09C4H5NON-(prop-2-yn-1-yl)formamideN116C#CCNC=OInChI=1S/C4H5NO/c1-2-3-5-4-6/h1,4H,3H2,(H,5,6)InChIKey=MTEWKKSTWKALQI-UHFFFAOYSA-N220.0Ex 219.95(BP est) 45.76(MP est) ----(BP exp) ----(MP exp) C#CCNC=O 45.8PredN
CNC(C#C)=O143983.09C4H5NON-methylpropiolamideN116CNC(C#C)=OInChI=1S/C4H5NO/c1-3-4(6)5-2/h1H,2H3,(H,5,6)InChIKey=WBVNBTCOCIGBDL-UHFFFAOYSA-N218.2Ex 218.19(BP est) 40.90(MP est) ----(BP exp) ----(MP exp) CNC(C#C)=O 40.9PredN
N#CC1COC1144183.09C4H5NOoxetane-3-carbonitrileN116N#CC1COC1InChI=1S/C4H5NO/c5-1-4-2-6-3-4/h4H,2-3H2InChIKey=PXDVPPINZKNVNF-UHFFFAOYSA-N154.7Ex 154.72(BP est) -27.83(MP est) ----(BP exp) ----(MP exp) N#CC1COC1 -27.8PredN
C1=CNNN=C1144283.094C3H5N31,2-dihydro-1,2,3-triazineN116C1=CNNN=C1InChI=1S/C3H5N3/c1-2-4-6-5-3-1/h1-4,6HInChIKey=NTSJGNVMDZAPJE-UHFFFAOYSA-N238.0Ex 238.03(BP est) 55.28(MP est) ----(BP exp) ----(MP exp) C1=CNNN=C1 55.3PredN
C\1=N\C=N/CN/1144383.094C3H5N31,2-dihydro-1,3,5-triazineN116C\1=N\C=N/CN/1InChI=1S/C3H5N3/c1-4-2-6-3-5-1/h1-2H,3H2,(H,4,5,6)InChIKey=RMQOXNXLVICLNK-UHFFFAOYSA-N273.1Ex 273.11(BP est) 67.76(MP est) ----(BP exp) ----(MP exp) C\1=N\C=N/CN/1 67.8PredN
n1ccn(N)c1144483.094C3H5N31H-imidazol-1-amineN116n1ccn(N)c1InChI=1S/C3H5N3/c4-6-2-1-5-3-6/h1-3H,4H2InChIKey=MXZANEWAFZMPKW-UHFFFAOYSA-N245.0Ex 244.95(BP est) 45.38(MP est) ----(BP exp) ----(MP exp) n1ccn(N)c1 45.4PredN
NC1=NC=CN1144583.094C3H5N31H-imidazol-2-amineN116NC1=NC=CN1InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)InChIKey=DEPDDPLQZYCHOH-UHFFFAOYSA-N300.0Ex 300.02(BP est) 76.45(MP est) ----(BP exp) ----(MP exp) NC1=NC=CN1 76.5PredY(DNP 2017)
NC1=CNC=N1144683.094C3H5N31H-imidazol-4-amineN116NC1=CNC=N1InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)InChIKey=QRZMXADUXZADTF-UHFFFAOYSA-N300.0Ex 300.02(BP est) 76.45(MP est) ----(BP exp) ----(MP exp) NC1=CNC=N1 76.5PredY(Irwin et al. 2012, ExPaSy 2015)
NC1=CN=CN1144783.094C3H5N31H-imidazol-5-amineN116NC1=CN=CN1InChI=1S/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)InChIKey=QRZMXADUXZADTF-UHFFFAOYSA-N300.0Ex 300.02(BP est) 76.45(MP est) ----(BP exp) ----(MP exp) NC1=CN=CN1 76.5PredY(ExPaSy 2015)
NN1N=CC=C1144883.094C3H5N31H-pyrazol-1-amineN116NN1N=CC=C1InChI=1S/C3H5N3/c4-6-3-1-2-5-6/h1-3H,4H2InChIKey=NYIGEYYREVRXES-UHFFFAOYSA-N177.1Ex 177.08(BP est) 11.66(MP est) ----(BP exp) ----(MP exp) NN1N=CC=C1 11.7PredN
NC1=NNC=C1144983.094C3H5N31H-pyrazol-3-amineN116NC1=NNC=C1InChI=1S/C3H5N3/c4-3-1-2-5-6-3/h1-2H,(H3,4,5,6)InChIKey=JVVRJMXHNUAPHW-UHFFFAOYSA-N246.6Ex 246.58(BP est) 55.65(MP est) ----(BP exp) ----(MP exp) NC1=NNC=C1 55.7PredN
NC1=CNN=C1145083.094C3H5N31H-pyrazol-4-amineN116NC1=CNN=C1InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)InChIKey=AXINVSXSGNSVLV-UHFFFAOYSA-N246.6Ex 246.58(BP est) 55.65(MP est) ----(BP exp) 81.00(MP exp) NC1=CNN=C1 81ExptN
CN1N=NC=C1145183.094C3H5N31-methyl-1H-1,2,3-triazoleN116CN1N=NC=C1InChI=1S/C3H5N3/c1-6-3-2-4-5-6/h2-3H,1H3InChIKey=JWAWEQBUZOGIBZ-UHFFFAOYSA-N128.8Ex 128.84(BP est) 13.63(MP est) ----(BP exp) ----(MP exp) CN1N=NC=C1 13.6PredN
CN1N=CN=C1145283.094C3H5N31-methyl-1H-1,2,4-triazoleN116CN1N=CN=C1InChI=1S/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H3InChIKey=MWZDIEIXRBWPLG-UHFFFAOYSA-N177.5Ex 128.84(BP est) 13.63(MP est) ----(BP exp) ----(MP exp) CN1N=CN=C1 13.6PredN
C=1C\C=N/NN=1145383.094C3H5N32,5-dihydro-1,2,3-triazineN116C=1C\C=N/NN=1InChI=1S/C3H5N3/c1-2-4-6-5-3-1/h2-3,6H,1H2InChIKey=CJUYNKWJWWMLJW-UHFFFAOYSA-N219.9Ex 219.94(BP est) 39.13(MP est) ----(BP exp) ----(MP exp) C=1C\C=N/NN=1 39.1PredN
CN1N=CC=N1145483.094C3H5N32-methyl-2H-1,2,3-triazoleN116CN1N=CC=N1InChI=1S/C3H5N3/c1-6-4-2-3-5-6/h2-3H,1H3InChIKey=NGCXHCGUQHIOLZ-UHFFFAOYSA-N128.8Ex 128.84(BP est) 13.63(MP est) ----(BP exp) ----(MP exp) CN1N=CC=N1 13.6PredN
NC(N)=CC#N145583.094C3H5N33,3-diaminoacrylonitrileN116NC(N)=CC#NInChI=1S/C3H5N3/c4-2-1-3(5)6/h1H,5-6H2InChIKey=DQDDGCDRIVTXOX-UHFFFAOYSA-N212.5Ex 212.54(BP est) 27.92(MP est) ----(BP exp) ----(MP exp) NC(N)=CC#N 27.9PredN
CC1=NNC=N1145683.094C3H5N33-methyl-1H-1,2,4-triazoleN116CC1=NNC=N1InChI=1S/C3H5N3/c1-3-4-2-5-6-3/h2H,1H3,(H,4,5,6)InChIKey=PZKFSRWSQOQYNR-UHFFFAOYSA-N209.5Ex 209.54(BP est) 30.17(MP est) ----(BP exp) ----(MP exp) CC1=NNC=N1 30.2PredN
CC1=CNN=N1145783.094C3H5N34-methyl-1H-1,2,3-triazoleN116CC1=CNN=N1InChI=1S/C3H5N3/c1-3-2-4-6-5-3/h2H,1H3,(H,4,5,6)InChIKey=GVSNQMFKEPBIOY-UHFFFAOYSA-N209.5Ex 209.54(BP est) 30.17(MP est) ----(BP exp) ----(MP exp) CC1=CNN=N1 30.2PredN
n1ncn(c1)C145883.094C3H5N34-methyl-4H-1,2,4-triazoleN116n1ncn(c1)CInChI=1S/C3H5N3/c1-6-2-4-5-3-6/h2-3H,1H3InChIKey=XILPCSMEKCBYFO-UHFFFAOYSA-N128.8Ex 128.84(BP est) 13.63(MP est) ----(BP exp) ----(MP exp) n1ncn(c1)C 13.6PredN
C1CC1N=[N+]=[N-]145983.094C3H5N3azidocyclopropaneN116C1CC1N=[N+]=[N-]InChI=1S/C3H5N3/c4-6-5-3-1-2-3/h3H,1-2H2InChIKey=ICJCDQBFQWMLJL-UHFFFAOYSA-N353.3Ex 353.27(BP est) 132.81(MP est) ----(BP exp) ----(MP exp) C1CC1N=[N+]=[N-] 132.8PredN
C=C(N)NC#N146083.094C3H5N3N-(1-aminovinyl)cyanamideN116C=C(N)NC#NInChI=1S/C3H5N3/c1-3(5)6-2-4/h6H,1,5H2InChIKey=BKEVGXRDJXNKRJ-UHFFFAOYSA-N189.4Ex 189.41(BP est) 16.27(MP est) ----(BP exp) ----(MP exp) C=C(N)NC#N 16.3PredN
N#C\N=C(\N)C146183.094C3H5N3N'-cyanoacetimidamideN116N#C\N=C(\N)CInChI=1S/C3H5N3/c1-3(5)6-2-4/h1H3,(H2,5,6)InChIKey=KKZFHAKALPLYLL-UHFFFAOYSA-N182.3Ex 182.27(BP est) -12.54(MP est) ----(BP exp) ----(MP exp) N#C\N=C(\N)C -12.5PredN
C1CC=CCN1146483.134C5H9N1,2,3,6-tetrahydropyridineN156C1CC=CCN1InChI=1S/C5H9N/c1-2-4-6-5-3-1/h1-2,6H,3-5H2InChIKey=FTAHXMZRJCZXDL-UHFFFAOYSA-N115.5Ex 130.91(BP est) -23.43(MP est) 108.00(BP exp) -48.00(MP exp) C1CC=CCN1 -48ExptN
C1C2(CCC2)N1146583.134C5H9N1-azaspiro[2.3]hexaneN156C1C2(CCC2)N1InChI=1S/C5H9N/c1-2-5(3-1)4-6-5/h6H,1-4H2InChIKey=IJBXVKITOJFLBF-UHFFFAOYSA-N113.2Ex 113.21(BP est) -2.78(MP est) ----(BP exp) ----(MP exp) C1C2(CCC2)N1 -2.8PredN
CC(C)C[N+]#[C-]146683.134C5H9N1-isocyano-2-methylpropaneN156CC(C)CN#CInChI=1S/C5H9N/c1-5(2)4-6-3/h5H,4H2,1-2H3InChIKey=SSWVVEYZXQCZNK-UHFFFAOYSA-N110.0Ex 5.74(BP est) -123.63(MP est) ----(BP exp) ----(MP exp) CC(C)CN#C -123.6PredN
CCCC[N+]#[C-]146783.134C5H9N1-isocyanobutaneN156CCCCN#CInChI=1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3InChIKey=FSBLVBBRXSCOKU-UHFFFAOYSA-N124.5Ex 22.06(BP est) -111.37(MP est) 120.00(BP exp) ----(MP exp) CCCCN#C -111.4PredN
CN1CC=CC1146883.134C5H9N1-methyl-2,5-dihydro-1H-pyrroleN156CN1CC=CC1InChI=1S/C5H9N/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3InChIKey=AHVYPIQETPWLSZ-UHFFFAOYSA-N76.0Ex 94.79(BP est) -48.66(MP est) ----(BP exp) ----(MP exp) CN1CC=CC1 -48.7PredN
CC12C(N2)CC1146983.134C5H9N1-methyl-5-azabicyclo[2.1.0]pentaneN156CC12C(N2)CC1InChI=1S/C5H9N/c1-5-3-2-4(5)6-5/h4,6H,2-3H2,1H3InChIKey=DITXRCPCMXNIKV-UHFFFAOYSA-N104.2Ex 104.17(BP est) -5.78(MP est) ----(BP exp) ----(MP exp) CC12C(N2)CC1 -5.8PredN
NC1(CC=C1)C147083.134C5H9N1-methylcyclobut-2-en-1-amineN156NC1(CC=C1)CInChI=1S/C5H9N/c1-5(6)3-2-4-5/h2-3H,4,6H2,1H3InChIKey=KDXTVOHTJKLAOU-UHFFFAOYSA-N108.5Ex 108.53(BP est) -27.50(MP est) ----(BP exp) ----(MP exp) NC1(CC=C1)C -27.5PredN
NC1(C=C)CC1147183.134C5H9N1-vinylcyclopropan-1-amineN156NC1(C=C)CC1InChI=1S/C5H9N/c1-2-5(6)3-4-5/h2H,1,3-4,6H2InChIKey=WYPJWIYXOLKXCY-UHFFFAOYSA-N101.4Ex 101.43(BP est) -29.07(MP est) ----(BP exp) ----(MP exp) NC1(C=C)CC1 -29.1PredN
C1CN=CCC1147283.134C5H9N2,3,4,5-tetrahydropyridineN156C1CN=CCC1InChI=1S/C5H9N/c1-2-4-6-5-3-1/h4H,1-3,5H2InChIKey=DWKUKQRKVCMOLP-UHFFFAOYSA-N108.3Ex 108.29(BP est) -46.78(MP est) ----(BP exp) ----(MP exp) C1CN=CCC1 -46.8PredY(Schulz and Dickschat 2007)
C=CCC1CN1147383.134C5H9N2-allylaziridineN156C=CCC1CN1InChI=1S/C5H9N/c1-2-3-5-4-6-5/h2,5-6H,1,3-4H2InChIKey=GMLZIQLAIXSZHL-UHFFFAOYSA-N113.0Ex 113.04(BP est) -26.75(MP est) ----(BP exp) ----(MP exp) C=CCC1CN1 -26.8PredN
C1(C2)NCC2C1147483.134C5H9N2-azabicyclo[2.1.1]hexaneN156C1(C2)NCC2C1InChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2InChIKey=HAHYXYKFMHJMIE-UHFFFAOYSA-N118.8Ex 118.78(BP est) -15.22(MP est) ----(BP exp) ----(MP exp) C1(C2)NCC2C1 -15.2PredN
C12NCC1CC2147583.134C5H9N2-azabicyclo[2.2.0]hexaneN156C12NCC1CC2InChI=1S/C5H9N/c1-2-5-4(1)3-6-5/h4-6H,1-3H2InChIKey=NPQFNLMDIWJTIH-UHFFFAOYSA-N118.8Ex 118.78(BP est) -15.22(MP est) ----(BP exp) ----(MP exp) C12NCC1CC2 -15.2PredN
C12NCCC1C2147683.134C5H9N2-azabicyclo[3.1.0]hexaneN156C12NCCC1C2InChI=1S/C5H9N/c1-2-6-5-3-4(1)5/h4-6H,1-3H2InChIKey=WSSDGZWSPMAECX-UHFFFAOYSA-N118.8Ex 118.78(BP est) -15.22(MP est) ----(BP exp) ----(MP exp) C12NCCC1C2 -15.2PredN
CC(N1)=C1CC147783.134C5H9N2-ethyl-3-methyl-1H-azirineN156CC(N1)=C1CCInChI=1S/C5H9N/c1-3-5-4(2)6-5/h6H,3H2,1-2H3InChIKey=WMJLFHMLLPGRTD-UHFFFAOYSA-N120.6Ex 120.62(BP est) -8.63(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1CC -8.6PredN
CC(C)([N+]#[C-])C147883.134C5H9N2-isocyano-2-methylpropaneN156CC(C)(N#C)CInChI=1S/C5H9N/c1-5(2,3)6-4/h1-3H3InChIKey=FAGLEPBREOXSAC-UHFFFAOYSA-N91.5Ex -5.17(BP est) -118.10(MP est) ----(BP exp) ----(MP exp) CC(C)(N#C)C -118.1PredN
CCC([N+]#[C-])C147983.134C5H9N2-isocyanobutaneN156CCC(N#C)CInChI=1S/C5H9N/c1-4-5(2)6-3/h5H,4H2,1-2H3InChIKey=WMMGIBWFZLSMHE-UHFFFAOYSA-N111.9Ex 5.74(BP est) -123.63(MP est) ----(BP exp) ----(MP exp) CCC(N#C)C -123.6PredN
CC1C2(CC2)N1148083.134C5H9N2-methyl-1-azaspiro[2.2]pentaneN156CC1C2(CC2)N1InChI=1S/C5H9N/c1-4-5(6-4)2-3-5/h4,6H,2-3H2,1H3InChIKey=UPFVKEWYGCDAJD-UHFFFAOYSA-N104.2Ex 104.17(BP est) -5.78(MP est) ----(BP exp) ----(MP exp) CC1C2(CC2)N1 -5.8PredN
CC1(C=C)CN1148183.134C5H9N2-methyl-2-vinylaziridineN156CC1(C=C)CN1InChI=1S/C5H9N/c1-3-5(2)4-6-5/h3,6H,1,4H2,2H3InChIKey=FMMVANLVTSHXJK-UHFFFAOYSA-N100.5Ex 100.50(BP est) -18.46(MP est) ----(BP exp) ----(MP exp) CC1(C=C)CN1 -18.5PredN
CC1C(C=C)N1148283.134C5H9N2-methyl-3-vinylaziridineN156CC1C(C=C)N1InChI=1S/C5H9N/c1-3-5-4(2)6-5/h3-6H,1H2,2H3InChIKey=FECJDBORQATXHM-UHFFFAOYSA-N106.2Ex 106.19(BP est) -30.87(MP est) ----(BP exp) ----(MP exp) CC1C(C=C)N1 -30.9PredN
NCC(C#C)C148383.134C5H9N2-methylbut-3-yn-1-amineN156NCC(C#C)CInChI=1S/C5H9N/c1-3-5(2)4-6/h1,5H,4,6H2,2H3InChIKey=LOJZQZIHVLXRDD-UHFFFAOYSA-N105.7Ex 105.74(BP est) -31.87(MP est) ----(BP exp) ----(MP exp) NCC(C#C)C -31.9PredN
NC(C)(C#C)C148483.134C5H9N2-methylbut-3-yn-2-amineN156NC(C)(C#C)CInChI=1S/C5H9N/c1-4-5(2,3)6/h1H,6H2,2-3H3InChIKey=VUGCBIWQHSRQBZ-UHFFFAOYSA-N79.1Ex 96.24(BP est) -25.93(MP est) 79.50(BP exp) 18.00(MP exp) NC(C)(C#C)C 18ExptN
CCC(C)C#N148583.134C5H9N2-methylbutanenitrileN156CCC(C)C#NInChI=1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3InChIKey=RCEJCSULJQNRQQ-UHFFFAOYSA-N125.2Ex 129.33(BP est) -57.60(MP est) 125.00(BP exp) ----(MP exp) CCC(C)C#N -57.6PredY(Gu et al. 2013, de Lacy Costello et al. 2014, El-Sayed 2014)
CCCC1=CN1148683.134C5H9N2-propyl-1H-azirineN156CCCC1=CN1InChI=1S/C5H9N/c1-2-3-5-4-6-5/h4,6H,2-3H2,1H3InChIKey=GLZFKLINOJNBII-UHFFFAOYSA-N122.6Ex 122.62(BP est) -14.31(MP est) ----(BP exp) ----(MP exp) CCCC1=CN1 -14.3PredN
C=CC1NCC1148783.134C5H9N2-vinylazetidineN156C=CC1NCC1InChI=1S/C5H9N/c1-2-5-3-4-6-5/h2,5-6H,1,3-4H2InChIKey=AYJIVPQVCPWOPT-UHFFFAOYSA-N115.2Ex 115.20(BP est) -27.88(MP est) ----(BP exp) ----(MP exp) C=CC1NCC1 -27.9PredN
C12CNCC1C2148883.134C5H9N3-azabicyclo[3.1.0]hexaneN156C12CNCC1C2InChI=1S/C5H9N/c1-4-2-6-3-5(1)4/h4-6H,1-3H2InChIKey=HGWUUOXXAIISDB-UHFFFAOYSA-N118.8Ex 118.78(BP est) -15.22(MP est) ----(BP exp) ----(MP exp) C12CNCC1C2 -15.2PredN
CC1CNC=C1148983.134C5H9N3-methyl-2,3-dihydro-1H-pyrroleN156CC1CNC=C1InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3InChIKey=VLBGIFUKQYTZCN-UHFFFAOYSA-N122.1Ex 122.14(BP est) -26.35(MP est) ----(BP exp) ----(MP exp) CC1CNC=C1 -26.4PredY(Wishart et al. 2013)
CC(C)CC#N149083.134C5H9N3-methylbutanenitrileN156CC(C)CC#NInChI=1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3InChIKey=QHDRKFYEGYYIIK-UHFFFAOYSA-N128.8Ex 129.33(BP est) -57.60(MP est) 127.50(BP exp) -101.00(MP exp) CC(C)CC#N -101ExptY(Buttery and Ling 1993, Ron and Louisa 1993)
NC(C1)CC1=C149183.134C5H9N3-methylenecyclobutan-1-amineN156NC(C1)CC1=CInChI=1S/C5H9N/c1-4-2-5(6)3-4/h5H,1-3,6H2InChIKey=CCDBTPTWKSVCET-UHFFFAOYSA-N112.0Ex 112.01(BP est) -31.97(MP est) ----(BP exp) ----(MP exp) NC(C1)CC1=C -32PredN
C=CC1CNC1149283.134C5H9N3-vinylazetidineN156C=CC1CNC1InChI=1S/C5H9N/c1-2-5-3-6-4-5/h2,5-6H,1,3-4H2InChIKey=AVFCJUOQCOXIGQ-UHFFFAOYSA-N115.2Ex 115.20(BP est) -27.88(MP est) ----(BP exp) ----(MP exp) C=CC1CNC1 -27.9PredN
C1CC2(CC2)N1149383.134C5H9N4-azaspiro[2.3]hexaneN156C1CC2(CC2)N1InChI=1S/C5H9N/c1-2-5(1)3-4-6-5/h6H,1-4H2InChIKey=RBWVZFZPIWEEHW-UHFFFAOYSA-N113.2Ex 113.21(BP est) -2.78(MP est) ----(BP exp) ----(MP exp) C1CC2(CC2)N1 -2.8PredN
CC1=CNCC1149483.134C5H9N4-methyl-2,3-dihydro-1H-pyrroleN156CC1=CNCC1InChI=1S/C5H9N/c1-5-2-3-6-4-5/h4,6H,2-3H2,1H3InChIKey=QFJLDRWTXZTXPP-UHFFFAOYSA-N126.9Ex 126.85(BP est) -16.60(MP est) ----(BP exp) ----(MP exp) CC1=CNCC1 -16.6PredY(DNP 2017)
C1(CC2)CC2N1149583.134C5H9N5-azabicyclo[2.1.1]hexaneN156C1(CC2)CC2N1InChI=1S/C5H9N/c1-2-5-3-4(1)6-5/h4-6H,1-3H2InChIKey=WYVFAIDIZFAWMI-UHFFFAOYSA-N118.8Ex 118.78(BP est) -15.22(MP est) ----(BP exp) ----(MP exp) C1(CC2)CC2N1 -15.2PredN
C1C2(CC2)CN1149683.134C5H9N5-azaspiro[2.3]hexaneN156C1C2(CC2)CN1InChI=1S/C5H9N/c1-2-5(1)3-6-4-5/h6H,1-4H2InChIKey=RHVACWSWOHDPBX-UHFFFAOYSA-N113.2Ex 113.21(BP est) -2.78(MP est) ----(BP exp) ----(MP exp) C1C2(CC2)CN1 -2.8PredN
CC1=CCCN1149783.134C5H9N5-methyl-2,3-dihydro-1H-pyrroleN156CC1=CCCN1InChI=1S/C5H9N/c1-5-3-2-4-6-5/h3,6H,2,4H2,1H3InChIKey=MUUWQYQRBFVTIB-UHFFFAOYSA-N126.9Ex 126.85(BP est) -16.60(MP est) ----(BP exp) ----(MP exp) CC1=CCCN1 -16.6PredN
C1(CCC2)C2N1149883.134C5H9N6-azabicyclo[3.1.0]hexaneN156C1(CCC2)C2N1InChI=1S/C5H9N/c1-2-4-5(3-1)6-4/h4-6H,1-3H2InChIKey=YZXVYUZDVBWITQ-UHFFFAOYSA-N118.8Ex 118.78(BP est) -15.22(MP est) ----(BP exp) ----(MP exp) C1(CCC2)C2N1 -15.2PredN
NCC1CC=C1149983.134C5H9Ncyclobut-2-en-1-ylmethanamineN156NCC1CC=C1InChI=1S/C5H9N/c6-4-5-2-1-3-5/h1-2,5H,3-4,6H2InChIKey=VPHKGCJQKBCQHF-UHFFFAOYSA-N120.9Ex 120.91(BP est) -35.84(MP est) ----(BP exp) ----(MP exp) NCC1CC=C1 -35.8PredN
NC1=CCCC1150083.134C5H9Ncyclopent-1-en-1-amineN156NC1=CCCC1InChI=1S/C5H9N/c6-5-3-1-2-4-5/h3H,1-2,4,6H2InChIKey=OQGVPWWLCUMRCI-UHFFFAOYSA-N127.7Ex 127.74(BP est) -27.22(MP est) ----(BP exp) ----(MP exp) NC1=CCCC1 -27.2PredN
NC1CCC=C1150183.134C5H9Ncyclopent-2-en-1-amineN156NC1CCC=C1InChI=1S/C5H9N/c6-5-3-1-2-4-5/h1,3,5H,2,4,6H2InChIKey=VSYCRDXNSAXDIU-UHFFFAOYSA-N123.0Ex 123.04(BP est) -36.98(MP est) ----(BP exp) ----(MP exp) NC1CCC=C1 -37PredN
NC(C1)C(C=C1)150283.134C5H9Ncyclopent-3-en-1-amineN156NC(C1)C(C=C1)InChI=1S/C5H9N/c6-5-3-1-2-4-5/h1-2,5H,3-4,6H2InChIKey=LJSBEPFUQWPNBZ-UHFFFAOYSA-N123.0Ex 123.04(BP est) -36.98(MP est) ----(BP exp) ----(MP exp) NC(C1)C(C=C1) -37PredN
CN(CC#C)C150383.134C5H9NN,N-dimethylprop-2-yn-1-amineN156CN(CC#C)CInChI=1S/C5H9N/c1-4-5-6(2)3/h1H,5H2,2-3H3InChIKey=ILBIXZPOMJFOJP-UHFFFAOYSA-N79.6Ex 79.58(BP est) -57.40(MP est) ----(BP exp) ----(MP exp) CN(CC#C)C -57.4PredN
CCNCC#C150483.134C5H9NN-ethylprop-2-yn-1-amineN156CCNCC#CInChI=1S/C5H9N/c1-3-5-6-4-2/h1,6H,4-5H2,2H3InChIKey=QLWUUDMYTAATJZ-UHFFFAOYSA-N104.5Ex 101.46(BP est) -40.92(MP est) ----(BP exp) ----(MP exp) CCNCC#C -40.9PredN
CNCCC#C150583.134C5H9NN-methylbut-3-yn-1-amineN156CNCCC#CInChI=1S/C5H9N/c1-3-4-5-6-2/h1,6H,4-5H2,2H3InChIKey=OOFSDSHCWBZGQL-UHFFFAOYSA-N101.5Ex 101.46(BP est) -40.92(MP est) ----(BP exp) ----(MP exp) CNCCC#C -40.9PredN
CNC(C#C)C150683.134C5H9NN-methylbut-3-yn-2-amineN156CNC(C#C)CInChI=1S/C5H9N/c1-4-5(2)6-3/h1,5-6H,2-3H3InChIKey=SEDYEJKMKNWLGX-UHFFFAOYSA-N86.9Ex 86.85(BP est) -52.69(MP est) ----(BP exp) ----(MP exp) CNC(C#C)C -52.7PredN
CNC1CC=C1150783.134C5H9NN-methylcyclobut-2-en-1-amineN156CNC1CC=C1InChI=1S/C5H9N/c1-6-5-3-2-4-5/h2-3,5-6H,4H2,1H3InChIKey=PDKIALQFROPJBQ-UHFFFAOYSA-N102.5Ex 102.47(BP est) -56.52(MP est) ----(BP exp) ----(MP exp) CNC1CC=C1 -56.5PredN
NC(C#C)CC150883.134C5H9Npent-1-yn-3-amineN156NC(C#C)CCInChI=1S/C5H9N/c1-3-5(6)4-2/h1,5H,4,6H2,2H3InChIKey=MSNZFDLOGHAYJE-UHFFFAOYSA-N105.7Ex 105.74(BP est) -31.87(MP est) ----(BP exp) ----(MP exp) NC(C#C)CC -31.9PredN
NCCC#CC150983.134C5H9Npent-3-yn-1-amineN156NCCC#CCInChI=1S/C5H9N/c1-2-3-4-5-6/h4-6H2,1H3InChIKey=IFGQNSAUMOFJNS-UHFFFAOYSA-N128.6Ex 128.55(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) NCCC#CC 11.9PredN
NCCCC#C151083.134C5H9Npent-4-yn-1-amineN156NCCCC#CInChI=1S/C5H9N/c1-2-3-4-5-6/h1H,3-6H2InChIKey=LMDDPGHBJXJGAC-UHFFFAOYSA-N119.9Ex 119.93(BP est) -20.23(MP est) ----(BP exp) ----(MP exp) NCCCC#C -20.2PredN
NC(CC#C)C151183.134C5H9Npent-4-yn-2-amineN156NC(CC#C)CInChI=1S/C5H9N/c1-3-4-5(2)6/h1,5H,4,6H2,2H3InChIKey=ATNZRYIKSXYJKY-UHFFFAOYSA-N123.5Ex 105.74(BP est) -31.87(MP est) ----(BP exp) ----(MP exp) NC(CC#C)C -31.9PredN
NC(C=C)C=C151283.134C5H9Npenta-1,4-dien-3-amineN156NC(C=C)C=CInChI=1S/C5H9N/c1-3-5(6)4-2/h3-5H,1-2,6H2InChIKey=PGDDUGFZXIFZHJ-UHFFFAOYSA-N93.7Ex 93.72(BP est) -60.63(MP est) ----(BP exp) ----(MP exp) NC(C=C)C=C -60.6PredN
CCCCC#N151383.134C5H9NpentanenitrileN156CCCCC#NInChI=1S/C5H9N/c1-2-3-4-5-6/h2-4H2,1H3InChIKey=RFFFKMOABOFIDF-UHFFFAOYSA-N140.5Ex 142.97(BP est) -46.12(MP est) 141.30(BP exp) -96.20(MP exp) CCCCC#N -96.2ExptY(DNP 2017)
CC(C)(C)C#N151483.134C5H9NpivalonitrileN156CC(C)(C)C#NInChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3InChIKey=JAMNHZBIQDNHMM-UHFFFAOYSA-N105.5Ex 120.18(BP est) -51.56(MP est) 106.10(BP exp) 15.00(MP exp) CC(C)(C)C#N 15ExptN
NC(Cl)(F)152083.4904CH3ClFNchlorofluoromethanamineN74NC(Cl)(F)InChI=1S/CH3ClFN/c2-1(3)4/h1H,4H2InChIKey=VISUJKSAFBWKAM-UHFFFAOYSA-N53.2Ex 53.22(BP est) -77.97(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F) -78PredN
C=CB(F)C=C152283.9004C4H6BFfluorodivinylboraneN126C=CB(F)C=CInChI=1S/C4H6BF/c1-3-5(6)4-2/h3-4H,1-2H2InChIKey=HOIGAJXXOVBOIN-UHFFFAOYSA-N16.8Ex 16.81(BP est) -128.23(MP est) ----(BP exp) ----(MP exp) C=CB(F)C=C -128.2PredN
B(C)(C)OC=C152583.925C4H9BOdimethyl(vinyloxy)boraneN156B(C)(C)OC=CInChI=1S/C4H9BO/c1-4-6-5(2)3/h4H,1H2,2-3H3InChIKey=KXNKBWDUNQYGKF-UHFFFAOYSA-N43.7Ex 43.74(BP est) -108.67(MP est) ----(BP exp) ----(MP exp) B(C)(C)OC=C -108.7PredN
B(C)(CC)CC152783.969C5H13Bdiethyl(methyl)boraneN196B(C)(CC)CCInChI=1S/C5H13B/c1-4-6(3)5-2/h4-5H2,1-3H3InChIKey=SCQZSLIVUXEOKQ-UHFFFAOYSA-N44.7Ex 44.68(BP est) -113.00(MP est) ----(BP exp) ----(MP exp) B(C)(CC)CC -113PredN
PC(F)F153084.0056CH3F2P(difluoromethyl)phosphaneN74PC(F)FInChI=1S/CH3F2P/c2-1(3)4/h1H,4H2InChIKey=HGVLQMWHKAMCMG-UHFFFAOYSA-N-4.3Ex -4.26(BP est) -135.37(MP est) ----(BP exp) ----(MP exp) PC(F)F -135.4PredN
O=C/1/N=N\N=N\1153284.038CN4O5H-tetrazol-5-oneN66O=C/1/N=N\N=N\1InChI=1S/CN4O/c6-1-2-4-5-3-1InChIKey=OUOJIFQQBPKAMU-UHFFFAOYSA-N190.1Ex 190.13(BP est) 39.55(MP est) ----(BP exp) ----(MP exp) O=C/1/N=N\N=N\1 39.6PredN
C(C(F)(F)F)153384.0412C2H3F31,1,1-trifluoroethaneN85C(C(F)(F)F)InChI=1S/C2H3F3/c1-2(3,4)5/h1H3InChIKey=UJPMYEOUBPIPHQ-UHFFFAOYSA-N-47.5Ex -56.46(BP est) -151.65(MP est) -47.50(BP exp) -111.30(MP exp) C(C(F)(F)F) -111.3ExptN
C(F)(C(F)F)153484.0412C2H3F31,1,2-trifluoroethaneN85C(F)(C(F)F)InChI=1S/C2H3F3/c3-1-2(4)5/h2H,1H2InChIKey=WGZYQOSEVSXDNI-UHFFFAOYSA-N4.3Ex -44.91(BP est) -156.99(MP est) 5.00(BP exp) -84.00(MP exp) C(F)(C(F)F) -84ExptN
FC#CC1=CO1153584.0494C4HFO2-(fluoroethynyl)oxireneN76FC#CC1=CO1InChI=1S/C4HFO/c5-2-1-4-3-6-4/h3HInChIKey=MTELHLXRQBFVEA-UHFFFAOYSA-N86.4Ex 86.35(BP est) -16.42(MP est) ----(BP exp) ----(MP exp) FC#CC1=CO1 -16.4PredN
FC(O1)=C1C#C153684.0494C4HFO2-ethynyl-3-fluorooxireneN76FC(O1)=C1C#CInChI=1S/C4HFO/c1-2-3-4(5)6-3/h1HInChIKey=FONUPXMNELRPGH-UHFFFAOYSA-N75.0Ex 74.99(BP est) -43.04(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1C#C -43PredN
C#CP1CC1153784.0578C4H5P1-ethynylphosphiraneN105C#CP1CC1InChI=1S/C4H5P/c1-2-5-3-4-5/h1H,3-4H2InChIKey=BGCXRXSFIGRQLQ-UHFFFAOYSA-N82.3Ex 82.31(BP est) -58.81(MP est) ----(BP exp) ----(MP exp) C#CP1CC1 -58.8PredN
P1C=CC=C1153884.0578C4H5P1H-phospholeN105P1C=CC=C1InChI=1S/C4H5P/c1-2-4-5-3-1/h1-5HInChIKey=DJMUYABFXCIYSC-UHFFFAOYSA-N83.7Ex 83.66(BP est) -83.98(MP est) ----(BP exp) ----(MP exp) P1C=CC=C1 -84PredN
C=CPC#C153984.0578C4H5Pethynyl(vinyl)phosphaneN105C=CPC#CInChI=1S/C4H5P/c1-3-5-4-2/h1,4-5H,2H2InChIKey=ACFWRBMZQQFRPZ-UHFFFAOYSA-N70.3Ex 70.28(BP est) -75.37(MP est) ----(BP exp) ----(MP exp) C=CPC#C -75.4PredN
O=C1C(CO)=C1154084.074C4H4O22-(hydroxymethyl)cycloprop-2-en-1-oneN106O=C1C(CO)=C1InChI=1S/C4H4O2/c5-2-3-1-4(3)6/h1,5H,2H2InChIKey=YZURNKPBQUTNBC-UHFFFAOYSA-N187.1Ex 187.06(BP est) 10.87(MP est) ----(BP exp) ----(MP exp) O=C1C(CO)=C1 10.9PredY(DNP 2017)
O=C1C(O)C1=C154184.074C4H4O22-hydroxy-3-methylenecyclopropan-1-oneN106O=C1C(O)C1=CInChI=1S/C4H4O2/c1-2-3(5)4(2)6/h3,5H,1H2InChIKey=RWCLCTYWAIRJIL-UHFFFAOYSA-N168.1Ex 168.10(BP est) 3.41(MP est) ----(BP exp) ----(MP exp) O=C1C(O)C1=C 3.4PredY(DNP 2017)
C=C1CC(O1)=O154284.074C4H4O24-methyleneoxetan-2-oneN106C=C1CC(O1)=OInChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2InChIKey=WASQWSOJHCZDFK-UHFFFAOYSA-N123.7Ex 169.75(BP est) -35.58(MP est) 126.10(BP exp) -6.50(MP exp) C=C1CC(O1)=O -6.5ExptN
O=C(C=C=O)C154384.074C4H4O2but-1-ene-1,3-dioneN106O=C(C=C=O)CInChI=1S/C4H4O2/c1-4(6)2-3-5/h2H,1H3InChIKey=BWRFQFVRMJWEQW-UHFFFAOYSA-N67.7Ex 67.66(BP est) -70.06(MP est) ----(BP exp) ----(MP exp) O=C(C=C=O)C -70.1PredN
OC(=O)C#C(C)154484.074C4H4O2but-2-ynoic acidN106OC(=O)C#C(C)InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)InChIKey=LUEHNHVFDCZTGL-UHFFFAOYSA-N201.5Ex 182.07(BP est) 26.58(MP est) 203.00(BP exp) 78.00(MP exp) OC(=O)C#C(C) 78ExptN
OC(=O)C(C#C)154584.074C4H4O2but-3-ynoic acidN106OC(=O)C(C#C)InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)InChIKey=KKAHGSQLSTUDAV-UHFFFAOYSA-N174.3Ex 174.28(BP est) 28.67(MP est) ----(BP exp) ----(MP exp) OC(=O)C(C#C) 28.7PredY(Irwin et al. 2012)
O=C1CCC1=O154684.074C4H4O2cyclobutane-1,2-dioneN106O=C1CCC1=OInChI=1S/C4H4O2/c5-3-1-2-4(3)6/h1-2H2InChIKey=QDMRCCGQLCIMLG-UHFFFAOYSA-N168.7Ex 168.73(BP est) 0.82(MP est) ----(BP exp) ----(MP exp) O=C1CCC1=O 0.8PredN
O=C(C1C=C1)O154784.074C4H4O2cycloprop-2-ene-1-carboxylic acidN106O=C(C1C=C1)OInChI=1S/C4H4O2/c5-4(6)3-1-2-3/h1-3H,(H,5,6)InChIKey=DBWAQSJZNKRLLE-UHFFFAOYSA-N173.2Ex 173.23(BP est) 14.23(MP est) ----(BP exp) ----(MP exp) O=C(C1C=C1)O 14.2PredY(DNP 2017)
O=C1OCC=C1154884.074C4H4O2furan-2(5H)-oneN106O=C1OCC=C1InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2InChIKey=VIHAEDVKXSOUAT-UHFFFAOYSA-N179.7Ex 179.67(BP est) -40.90(MP est) ----(BP exp) 4.50(MP exp) O=C1OCC=C1 4.5ExptY(Cho et al. 2008, de Lacy Costello et al. 2014)
COC(C#C)=O154984.074C4H4O2methyl propiolateN106COC(C#C)=OInChI=1S/C4H4O2/c1-3-4(5)6-2/h1H,2H3InChIKey=IMAKHNTVDGLIRY-UHFFFAOYSA-N101.1Ex 86.58(BP est) -56.07(MP est) 103.00(BP exp) ----(MP exp) COC(C#C)=O -56.1PredN
NC(NC#C)=O155084.078C3H4N2O1-ethynylureaN106NC(NC#C)=OInChI=1S/C3H4N2O/c1-2-5-3(4)6/h1H,(H3,4,5,6)InChIKey=YDMSIPOBNKHGGN-UHFFFAOYSA-N204.8Ex 204.84(BP est) 37.58(MP est) ----(BP exp) ----(MP exp) NC(NC#C)=O 37.6PredN
OC1=NC=CN1155184.078C3H4N2O1H-imidazol-2-olN106OC1=NC=CN1InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)InChIKey=AICIYIDUYNFPRY-UHFFFAOYSA-N290.0Ex 290.02(BP est) 77.87(MP est) ----(BP exp) ----(MP exp) OC1=NC=CN1 77.9PredN
ON1N=CC=C1155284.078C3H4N2O1H-pyrazol-1-olN106ON1N=CC=C1InChI=1S/C3H4N2O/c6-5-3-1-2-4-5/h1-3,6HInChIKey=QVCIPIYWPSPRFA-UHFFFAOYSA-N162.9Ex 162.92(BP est) 9.44(MP est) ----(BP exp) ----(MP exp) ON1N=CC=C1 9.4PredN
OC1=NNC=C1155384.078C3H4N2O1H-pyrazol-3-olN106OC1=NNC=C1InChI=1S/C3H4N2O/c6-3-1-2-4-5-3/h1-2H,(H2,4,5,6)InChIKey=XBYRMPXUBGMOJC-UHFFFAOYSA-N234.6Ex 234.60(BP est) 48.05(MP est) ----(BP exp) ----(MP exp) OC1=NNC=C1 48.1PredN
OC1=CNN=C1155484.078C3H4N2O1H-pyrazol-4-olN106OC1=CNN=C1InChI=1S/C3H4N2O/c6-3-1-4-5-2-3/h1-2,6H,(H,4,5)InChIKey=KAUABWYBFARJAF-UHFFFAOYSA-N234.6Ex 234.60(BP est) 48.05(MP est) ----(BP exp) ----(MP exp) OC1=CNN=C1 48.1PredN
O=C(N)CC#N155584.078C3H4N2O2-cyanoacetamideN106O=C(N)CC#NInChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)InChIKey=DGJMPUGMZIKDRO-UHFFFAOYSA-N270.9Ex 270.88(BP est) 71.00(MP est) ----(BP exp) 121.50(MP exp) O=C(N)CC#N 121.5ExptN
CC1=NN=CO1155684.078C3H4N2O2-methyl-1,3,4-oxadiazoleN106CC1=NN=CO1InChI=1S/C3H4N2O/c1-3-5-4-2-6-3/h2H,1H3InChIKey=ZMSIFDIKIXVLDF-UHFFFAOYSA-N158.6Ex 158.64(BP est) 14.10(MP est) ----(BP exp) ----(MP exp) CC1=NN=CO1 14.1PredN
CC1=NON=C1155784.078C3H4N2O3-methyl-1,2,5-oxadiazoleN106CC1=NON=C1InChI=1S/C3H4N2O/c1-3-2-4-6-5-3/h2H,1H3InChIKey=WBILDQZWYMFRNR-UHFFFAOYSA-N107.0Ex 107.01(BP est) -0.97(MP est) ----(BP exp) ----(MP exp) CC1=NON=C1 -1PredN
NC1=NOC=C1155884.078C3H4N2Oisoxazol-3-amineN106NC1=NOC=C1InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)InChIKey=RHFWLPWDOYJEAL-UHFFFAOYSA-N157.1Ex 157.11(BP est) 19.52(MP est) ----(BP exp) ----(MP exp) NC1=NOC=C1 19.5PredN
NC1=CON=C1155984.078C3H4N2Oisoxazol-4-amineN106NC1=CON=C1InChI=1S/C3H4N2O/c4-3-1-5-6-2-3/h1-2H,4H2InChIKey=CVCYZCBJCQXUCN-UHFFFAOYSA-N157.1Ex 157.11(BP est) 19.52(MP est) ----(BP exp) ----(MP exp) NC1=CON=C1 19.5PredN
NC1=CC=NO1156084.078C3H4N2Oisoxazol-5-amineN106NC1=CC=NO1InChI=1S/C3H4N2O/c4-3-1-2-5-6-3/h1-2H,4H2InChIKey=IAXWZYXUKABJAN-UHFFFAOYSA-N157.1Ex 157.11(BP est) 19.52(MP est) ----(BP exp) ----(MP exp) NC1=CC=NO1 19.5PredN
N#CCNC=O156184.078C3H4N2ON-(cyanomethyl)formamideN106N#CCNC=OInChI=1S/C3H4N2O/c4-1-2-5-3-6/h3H,2H2,(H,5,6)InChIKey=HHENWUYAOCBSAE-UHFFFAOYSA-N267.3Ex 267.27(BP est) 68.17(MP est) ----(BP exp) ----(MP exp) N#CCNC=O 68.2PredN
O=C(C)NC#N156284.078C3H4N2ON-cyanoacetamideN106O=C(C)NC#NInChI=1S/C3H4N2O/c1-3(6)5-2-4/h1H3,(H,5,6)InChIKey=BNZBMEIFAOYZEA-UHFFFAOYSA-N265.7Ex 265.73(BP est) 63.41(MP est) ----(BP exp) ----(MP exp) O=C(C)NC#N 63.4PredN
NC1=NC=CO1156384.078C3H4N2Ooxazol-2-amineN106NC1=NC=CO1InChI=1S/C3H4N2O/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)InChIKey=ACTKAGSPIFDCMF-UHFFFAOYSA-N157.1Ex 157.11(BP est) 19.52(MP est) ----(BP exp) ----(MP exp) NC1=NC=CO1 19.5PredN
NC1=COC=N1156484.078C3H4N2Ooxazol-4-amineN106NC1=COC=N1InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2InChIKey=NXWFZLSDGBWCMN-UHFFFAOYSA-N157.1Ex 157.11(BP est) 19.52(MP est) ----(BP exp) ----(MP exp) NC1=COC=N1 19.5PredN
NN1N=NC=C1156584.082C2H4N41H-1,2,3-triazol-1-amineN106NN1N=NC=C1InChI=1S/C2H4N4/c3-6-2-1-4-5-6/h1-2H,3H2InChIKey=MPSUGQWRVNRJEE-UHFFFAOYSA-N186.8Ex 186.78(BP est) 30.97(MP est) ----(BP exp) ----(MP exp) NN1N=NC=C1 31PredN
NN1N=CN=C1156684.082C2H4N41H-1,2,4-triazol-1-amineN106NN1N=CN=C1InChI=1S/C2H4N4/c3-6-2-4-1-5-6/h1-2H,3H2InChIKey=NHAZGSRLKBTDBF-UHFFFAOYSA-N186.8Ex 186.78(BP est) 30.97(MP est) ----(BP exp) ----(MP exp) NN1N=CN=C1 31PredN
CN1N=NN=C1156784.082C2H4N41-methyl-1H-tetrazoleN106CN1N=NN=C1InChI=1S/C2H4N4/c1-6-2-3-4-5-6/h2H,1H3InChIKey=OMAFFHIGWTVZOH-UHFFFAOYSA-N139.5Ex 139.48(BP est) 7.33(MP est) ----(BP exp) ----(MP exp) CN1N=NN=C1 7.3PredN
NC1=NNN=C1156884.082C2H4N42H-1,2,3-triazol-4-amineN106NC1=NNN=C1InChI=1S/C2H4N4/c3-2-1-4-6-5-2/h1H,(H3,3,4,5,6)InChIKey=JSIAIROWMJGMQZ-UHFFFAOYSA-N258.3Ex 258.30(BP est) 69.52(MP est) ----(BP exp) ----(MP exp) NC1=NNN=C1 69.5PredN
CN1N=NC=N1156984.082C2H4N42-methyl-2H-tetrazoleN106CN1N=NC=N1InChI=1S/C2H4N4/c1-6-4-2-3-5-6/h2H,1H3InChIKey=VRESBNUEIKZECD-UHFFFAOYSA-N147.0Ex 139.48(BP est) 7.33(MP est) ----(BP exp) ----(MP exp) CN1N=NC=N1 7.3PredN
NN1C=NN=C1157084.082C2H4N44H-1,2,4-triazol-4-amineN106NN1C=NN=C1InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2InChIKey=FMCUPJKTGNBGEC-UHFFFAOYSA-N186.8Ex 186.78(BP est) 30.97(MP est) ----(BP exp) 82.50(MP exp) NN1C=NN=C1 82.5ExptN
CC1=NNN=N1157184.082C2H4N45-methyl-2H-tetrazoleN106CC1=NNN=N1InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)InChIKey=XZGLNCKSNVGDNX-UHFFFAOYSA-N218.6Ex 218.57(BP est) 49.19(MP est) ----(BP exp) ----(MP exp) CC1=NNN=N1 49.2PredN
SC(F)(F)157284.0838CH2F2SdifluoromethanethiolN64SC(F)(F)InChI=1S/CH2F2S/c2-1(3)4/h1,4HInChIKey=KLJYQOSMCTZTGU-UHFFFAOYSA-N5.1Ex 21.16(BP est) -125.40(MP est) ----(BP exp) ----(MP exp) SC(F)(F) -125.4PredN
O=C=C=C=S157384.092C3OS3-thioxopropa-1,2-dien-1-oneN55O=C=C=C=SInChI=1S/C3OS/c4-2-1-3-5InChIKey=RHUZNLULDNYSIW-UHFFFAOYSA-N-11.0Ex -10.97(BP est) -110.97(MP est) ----(BP exp) ----(MP exp) O=C=C=C=S -111PredN
FC#CC1CC1157484.0934C5H5F(fluoroethynyl)cyclopropaneN116FC#CC1CC1InChI=1S/C5H5F/c6-4-3-5-1-2-5/h5H,1-2H2InChIKey=DKLBLZFMOLZULH-UHFFFAOYSA-N71.3Ex 71.34(BP est) -37.21(MP est) ----(BP exp) ----(MP exp) FC#CC1CC1 -37.2PredN
FC(C1=CC1)=C157584.0934C5H5F1-(1-fluorovinyl)cycloprop-1-eneN116FC(C1=CC1)=CInChI=1S/C5H5F/c1-4(6)5-2-3-5/h2H,1,3H2InChIKey=WCFPGBSYLAAUGC-UHFFFAOYSA-N52.6Ex 52.62(BP est) -94.83(MP est) ----(BP exp) ----(MP exp) FC(C1=CC1)=C -94.8PredN
FC=CC1=CC1157684.0934C5H5F1-(2-fluorovinyl)cycloprop-1-eneN116FC=CC1=CC1InChI=1S/C5H5F/c6-4-3-5-1-2-5/h1,3-4H,2H2InChIKey=PCFIOFHIHUFTHC-UHFFFAOYSA-N69.3Ex 69.30(BP est) -84.64(MP est) ----(BP exp) ----(MP exp) FC=CC1=CC1 -84.6PredN
FC1(CC1)C#C157784.0934C5H5F1-ethynyl-1-fluorocyclopropaneN116FC1(CC1)C#CInChI=1S/C5H5F/c1-2-5(6)3-4-5/h1H,3-4H2InChIKey=BBWGHDPTDSLELC-UHFFFAOYSA-N48.4Ex 48.37(BP est) -61.53(MP est) ----(BP exp) ----(MP exp) FC1(CC1)C#C -61.5PredN
FC1CC1C#C157884.0934C5H5F1-ethynyl-2-fluorocyclopropaneN116FC1CC1C#CInChI=1S/C5H5F/c1-2-4-3-5(4)6/h1,4-5H,3H2InChIKey=MFRJBVSEUVJLTE-UHFFFAOYSA-N54.5Ex 54.51(BP est) -73.81(MP est) ----(BP exp) ----(MP exp) FC1CC1C#C -73.8PredN
C(F)=C(C)(C#C)157984.0934C5H5F1-fluoro-2-methylbut-1-en-3-yneN116C(F)=C(C)(C#C)InChI=1S/C5H5F/c1-3-5(2)4-6/h1,4H,2H3InChIKey=CSJHPUCYGIWCTN-UHFFFAOYSA-N58.5Ex 58.47(BP est) -89.02(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(C#C) -89PredN
FC(C1)=C1C=C158084.0934C5H5F1-fluoro-2-vinylcycloprop-1-eneN116FC(C1)=C1C=CInChI=1S/C5H5F/c1-2-4-3-5(4)6/h2H,1,3H2InChIKey=JEUDUSPLPLAFJZ-UHFFFAOYSA-N57.4Ex 57.42(BP est) -80.19(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1C=C -80.2PredN
C=C(C1)(C=C1F)158184.0934C5H5F1-fluoro-3-methylenecyclobut-1-eneN116C=C(C1)(C=C1F)InChI=1S/C5H5F/c1-4-2-5(6)3-4/h2H,1,3H2InChIKey=IPPHKCQLBCAAKD-UHFFFAOYSA-N57.5Ex 57.50(BP est) -80.46(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C=C1F) -80.5PredN
FC1=CC1C=C158284.0934C5H5F1-fluoro-3-vinylcycloprop-1-eneN116FC1=CC1C=CInChI=1S/C5H5F/c1-2-4-3-5(4)6/h2-4H,1H2InChIKey=MGDNGTUBBPPWOW-UHFFFAOYSA-N52.2Ex 52.18(BP est) -90.10(MP est) ----(BP exp) ----(MP exp) FC1=CC1C=C -90.1PredN
C=C(C1)(C(F)=C1)158384.0934C5H5F1-fluoro-4-methylenecyclobut-1-eneN116C=C(C1)(C(F)=C1)InChI=1S/C5H5F/c1-4-2-3-5(4)6/h3H,1-2H2InChIKey=GPPMOVCJNOJFTL-UHFFFAOYSA-N57.5Ex 57.50(BP est) -80.46(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C(F)=C1) -80.5PredN
FC12C=C1CC2158484.0934C5H5F1-fluorobicyclo[2.1.0]pent-4-eneN116FC12C=C1CC2InChI=1S/C5H5F/c6-5-2-1-4(5)3-5/h3H,1-2H2InChIKey=OOHOMFPYKRAEQP-UHFFFAOYSA-N50.0Ex 50.00(BP est) -65.05(MP est) ----(BP exp) ----(MP exp) FC12C=C1CC2 -65.1PredN
C(C=C1)(C(F)=C1)158584.0934C5H5F1-fluorocyclopenta-1,3-dieneN116C(C=C1)(C(F)=C1)InChI=1S/C5H5F/c6-5-3-1-2-4-5/h1-3H,4H2InChIKey=BKCDSYUMWOBEJI-UHFFFAOYSA-N69.5Ex 69.47(BP est) -85.19(MP est) ----(BP exp) ----(MP exp) C(C=C1)(C(F)=C1) -85.2PredN
C(C)#C(C=CF)158684.0934C5H5F1-fluoropent-1-en-3-yneN116C(C)#C(C=CF)InChI=1S/C5H5F/c1-2-3-4-5-6/h4-5H,1H3InChIKey=NQWCDBGSQZPUQI-UHFFFAOYSA-N74.8Ex 74.79(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) C(C)#C(C=CF) -47.7PredN
C(C=CF)(C#C)158784.0934C5H5F1-fluoropent-1-en-4-yneN116C(C=CF)(C#C)InChI=1S/C5H5F/c1-2-3-4-5-6/h1,4-5H,3H2InChIKey=DPVWOAWTCVSNIA-UHFFFAOYSA-N65.4Ex 65.41(BP est) -80.02(MP est) ----(BP exp) ----(MP exp) C(C=CF)(C#C) -80PredN
C(C)=C(C#CF)158884.0934C5H5F1-fluoropent-3-en-1-yneN116C(C)=C(C#CF)InChI=1S/C5H5F/c1-2-3-4-5-6/h2-3H,1H3InChIKey=BSLOZAGDKGNQKZ-UHFFFAOYSA-N74.8Ex 74.79(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) C(C)=C(C#CF) -47.7PredN
FC1=CC12CC2158984.0934C5H5F1-fluorospiro[2.2]pent-1-eneN116FC1=CC12CC2InChI=1S/C5H5F/c6-4-3-5(4)1-2-5/h3H,1-2H2InChIKey=OEUMLAAIFZKCLO-UHFFFAOYSA-N50.0Ex 50.00(BP est) -65.05(MP est) ----(BP exp) ----(MP exp) FC1=CC12CC2 -65.1PredN
C=C(CF)(C#C)159084.0934C5H5F2-(fluoromethyl)but-1-en-3-yneN116C=C(CF)(C#C)InChI=1S/C5H5F/c1-3-5(2)4-6/h1H,2,4H2InChIKey=COOLVYFRUNVBFG-UHFFFAOYSA-N48.6Ex 48.63(BP est) -90.24(MP est) ----(BP exp) ----(MP exp) C=C(CF)(C#C) -90.2PredN
FC1CC2=C1C2159184.0934C5H5F2-fluorobicyclo[2.1.0]pent-1(4)-eneN116FC1CC2=C1C2InChI=1S/C5H5F/c6-5-2-3-1-4(3)5/h5H,1-2H2InChIKey=LAIRDACTXSAPOS-UHFFFAOYSA-N61.3Ex 61.33(BP est) -67.44(MP est) ----(BP exp) ----(MP exp) FC1CC2=C1C2 -67.4PredN
FC1CC2=CC21159284.0934C5H5F2-fluorobicyclo[2.1.0]pent-4-eneN116FC1CC2=CC21InChI=1S/C5H5F/c6-5-2-3-1-4(3)5/h1,4-5H,2H2InChIKey=GJKAIFWMTXALHP-UHFFFAOYSA-N56.1Ex 56.12(BP est) -77.34(MP est) ----(BP exp) ----(MP exp) FC1CC2=CC21 -77.3PredN
C(C=C1)(C=C1F)159384.0934C5H5F2-fluorocyclopenta-1,3-dieneN116C(C=C1)(C=C1F)InChI=1S/C5H5F/c6-5-3-1-2-4-5/h1,3-4H,2H2InChIKey=JFXSJOXLWREODN-UHFFFAOYSA-N69.5Ex 69.47(BP est) -85.19(MP est) ----(BP exp) ----(MP exp) C(C=C1)(C=C1F) -85.2PredN
C(C)#C(C(F)=C)159484.0934C5H5F2-fluoropent-1-en-3-yneN116C(C)#C(C(F)=C)InChI=1S/C5H5F/c1-3-4-5(2)6/h2H2,1H3InChIKey=WUEQXLBPUITHCU-UHFFFAOYSA-N58.2Ex 58.23(BP est) -57.87(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(F)=C) -57.9PredN
C(C(F)=C)(C#C)159584.0934C5H5F2-fluoropent-1-en-4-yneN116C(C(F)=C)(C#C)InChI=1S/C5H5F/c1-3-4-5(2)6/h1H,2,4H2InChIKey=XCPSREWGWBPCJL-UHFFFAOYSA-N48.6Ex 48.63(BP est) -90.24(MP est) ----(BP exp) ----(MP exp) C(C(F)=C)(C#C) -90.2PredN
FC(C1C=C1)=C159684.0934C5H5F3-(1-fluorovinyl)cycloprop-1-eneN116FC(C1C=C1)=CInChI=1S/C5H5F/c1-4(6)5-2-3-5/h2-3,5H,1H2InChIKey=QVHZSJLMIAADMB-UHFFFAOYSA-N47.4Ex 47.35(BP est) -104.75(MP est) ----(BP exp) ----(MP exp) FC(C1C=C1)=C -104.8PredN
FC=CC1C=C1159784.0934C5H5F3-(2-fluorovinyl)cycloprop-1-eneN116FC=CC1C=C1InChI=1S/C5H5F/c6-4-3-5-1-2-5/h1-5HInChIKey=FOGCBDNGRPFDDC-UHFFFAOYSA-N64.2Ex 64.16(BP est) -94.52(MP est) ----(BP exp) ----(MP exp) FC=CC1C=C1 -94.5PredN
C(F)=C(C1)(C=C1)159884.0934C5H5F3-(fluoromethylene)cyclobut-1-eneN116C(F)=C(C1)(C=C1)InChI=1S/C5H5F/c6-4-5-2-1-3-5/h1-2,4H,3H2InChIKey=MLQPDRXJFIPQCE-UHFFFAOYSA-N69.4Ex 69.39(BP est) -84.91(MP est) ----(BP exp) ----(MP exp) C(F)=C(C1)(C=C1) -84.9PredN
C=CC1=CC1F159984.0934C5H5F3-fluoro-1-vinylcycloprop-1-eneN116C=CC1=CC1FInChI=1S/C5H5F/c1-2-4-3-5(4)6/h2-3,5H,1H2InChIKey=CGVGQKOTWSHTLY-UHFFFAOYSA-N52.2Ex 52.18(BP est) -90.10(MP est) ----(BP exp) ----(MP exp) C=CC1=CC1F -90.1PredN
FC1(C=C)C=C1160084.0934C5H5F3-fluoro-3-vinylcycloprop-1-eneN116FC1(C=C)C=C1InChI=1S/C5H5F/c1-2-5(6)3-4-5/h2-4H,1H2InChIKey=IPLHBVRKNAUBHS-UHFFFAOYSA-N40.7Ex 40.71(BP est) -87.75(MP est) ----(BP exp) ----(MP exp) FC1(C=C)C=C1 -87.8PredN
C=C(C1F)(C=C1)160184.0934C5H5F3-fluoro-4-methylenecyclobut-1-eneN116C=C(C1F)(C=C1)InChI=1S/C5H5F/c1-4-2-3-5(4)6/h2-3,5H,1H2InChIKey=GCCDVQTVKHCJIC-UHFFFAOYSA-N52.3Ex 52.27(BP est) -90.37(MP est) ----(BP exp) ----(MP exp) C=C(C1F)(C=C1) -90.4PredN
FC1C2=CC2C1160284.0934C5H5F3-fluorobicyclo[2.1.0]pent-4-eneN116FC1C2=CC2C1InChI=1S/C5H5F/c6-5-2-3-1-4(3)5/h1,3,5H,2H2InChIKey=MIXFARQNJSQZNE-UHFFFAOYSA-N56.1Ex 56.12(BP est) -77.34(MP est) ----(BP exp) ----(MP exp) FC1C2=CC2C1 -77.3PredN
C(F)(C=C)(C#C)160384.0934C5H5F3-fluoropent-1-en-4-yneN116C(F)(C=C)(C#C)InChI=1S/C5H5F/c1-3-5(6)4-2/h1,4-5H,2H2InChIKey=DNRUHZOJFISCSU-UHFFFAOYSA-N40.0Ex 40.04(BP est) -93.27(MP est) ----(BP exp) ----(MP exp) C(F)(C=C)(C#C) -93.3PredN
C(C)=C(F)(C#C)160484.0934C5H5F3-fluoropent-3-en-1-yneN116C(C)=C(F)(C#C)InChI=1S/C5H5F/c1-3-5(6)4-2/h1,4H,2H3InChIKey=WZLQLIJQNXYFEJ-UHFFFAOYSA-N58.5Ex 58.47(BP est) -89.02(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(C#C) -89PredN
C=C(C)(C#CF)160584.0934C5H5F4-fluoro-2-methylbut-1-en-3-yneN116C=C(C)(C#CF)InChI=1S/C5H5F/c1-5(2)3-4-6/h1H2,2H3InChIKey=RSENZIVTXQSJBL-UHFFFAOYSA-N58.2Ex 58.23(BP est) -57.87(MP est) ----(BP exp) ----(MP exp) C=C(C)(C#CF) -57.9PredN
C(F)(C)=C(C#C)160684.0934C5H5F4-fluoropent-3-en-1-yneN116C(F)(C)=C(C#C)InChI=1S/C5H5F/c1-3-4-5(2)6/h1,4H,2H3InChIKey=HLAVXYIAFOJPTL-UHFFFAOYSA-N58.5Ex 58.47(BP est) -89.02(MP est) ----(BP exp) ----(MP exp) C(F)(C)=C(C#C) -89PredN
FC1C2(C1)C=C2160784.0934C5H5F4-fluorospiro[2.2]pent-1-eneN116FC1C2(C1)C=C2InChI=1S/C5H5F/c6-4-3-5(4)1-2-5/h1-2,4H,3H2InChIKey=UJTGCCQTJAEURW-UHFFFAOYSA-N44.7Ex 44.71(BP est) -74.98(MP est) ----(BP exp) ----(MP exp) FC1C2(C1)C=C2 -75PredN
FC1C2=C1CC2160884.0934C5H5F5-fluorobicyclo[2.1.0]pent-1(4)-eneN116FC1C2=C1CC2InChI=1S/C5H5F/c6-5-3-1-2-4(3)5/h5H,1-2H2InChIKey=NYVLIRRASJDRAK-UHFFFAOYSA-N61.3Ex 61.33(BP est) -67.44(MP est) ----(BP exp) ----(MP exp) FC1C2=C1CC2 -67.4PredN
FC1=C2CCC12160984.0934C5H5F5-fluorobicyclo[2.1.0]pent-4-eneN116FC1=C2CCC12InChI=1S/C5H5F/c6-5-3-1-2-4(3)5/h3H,1-2H2InChIKey=MEDWNFGEJNXMDQ-UHFFFAOYSA-N61.3Ex 61.33(BP est) -67.44(MP est) ----(BP exp) ----(MP exp) FC1=C2CCC12 -67.4PredN
C(F)(C=C1)(C=C1)161084.0934C5H5F5-fluorocyclopenta-1,3-dieneN116C(F)(C=C1)(C=C1)InChI=1S/C5H5F/c6-5-3-1-2-4-5/h1-5HInChIKey=YBSBRQKWPYSVKR-UHFFFAOYSA-N64.3Ex 64.32(BP est) -95.07(MP est) ----(BP exp) ----(MP exp) C(F)(C=C1)(C=C1) -95.1PredN
C(CF)#C(C=C)161184.0934C5H5F5-fluoropent-1-en-3-yneN116C(CF)#C(C=C)InChI=1S/C5H5F/c1-2-3-4-5-6/h2H,1,5H2InChIKey=RYMCEYWMKZKCHW-UHFFFAOYSA-N65.2Ex 65.17(BP est) -48.86(MP est) ----(BP exp) ----(MP exp) C(CF)#C(C=C) -48.9PredN
C(C=C)(C#CF)161284.0934C5H5F5-fluoropent-1-en-4-yneN116C(C=C)(C#CF)InChI=1S/C5H5F/c1-2-3-4-5-6/h2H,1,3H2InChIKey=HOJXKIKBKWSQNW-UHFFFAOYSA-N65.2Ex 65.17(BP est) -48.86(MP est) ----(BP exp) ----(MP exp) C(C=C)(C#CF) -48.9PredN
C(CF)=C(C#C)161384.0934C5H5F5-fluoropent-3-en-1-yneN116C(CF)=C(C#C)InChI=1S/C5H5F/c1-2-3-4-5-6/h1,3-4H,5H2InChIKey=IXKNQDFCOAPNKA-UHFFFAOYSA-N65.4Ex 65.41(BP est) -80.02(MP est) ----(BP exp) ----(MP exp) C(CF)=C(C#C) -80PredN
N#CN=C=S161484.096C2N2Scyanic isothiocyanateN55N#CN=C=SInChI=1S/C2N2S/c3-1-4-2-5InChIKey=VMPYZMFURVPIHK-UHFFFAOYSA-N181.1Ex 181.12(BP est) -4.34(MP est) ----(BP exp) ----(MP exp) N#CN=C=S -4.3PredN
OCC1CC1=C161584.118C5H8O(2-methylenecyclopropyl)methanolN146OCC1CC1=CInChI=1S/C5H8O/c1-4-2-5(4)3-6/h5-6H,1-3H2InChIKey=CQFQAARMEJVWAL-UHFFFAOYSA-N135.2Ex 135.17(BP est) -34.67(MP est) ----(BP exp) ----(MP exp) OCC1CC1=C -34.7PredN
COC=C1CC1161684.118C5H8O(methoxymethylene)cyclopropaneN146COC=C1CC1InChI=1S/C5H8O/c1-6-4-5-2-3-5/h4H,2-3H2,1H3InChIKey=XYQCJLLGOPNIOH-UHFFFAOYSA-N87.2Ex 87.21(BP est) -67.51(MP est) ----(BP exp) ----(MP exp) COC=C1CC1 -67.5PredN
C=COC1CC1161784.118C5H8O(vinyloxy)cyclopropaneN146C=COC1CC1InChI=1S/C5H8O/c1-2-6-5-3-4-5/h2,5H,1,3-4H2InChIKey=XRCVFFQSIMHODB-UHFFFAOYSA-N74.9Ex 74.89(BP est) -79.29(MP est) ----(BP exp) ----(MP exp) C=COC1CC1 -79.3PredN
C=COC=CC161884.118C5H8O1-(vinyloxy)prop-1-eneN146C=COC=CCInChI=1S/C5H8O/c1-3-5-6-4-2/h3-5H,2H2,1H3InChIKey=YKLWPGCWVBBCTO-UHFFFAOYSA-N59.5Ex 78.32(BP est) -89.79(MP est) ----(BP exp) ----(MP exp) C=COC=CC -89.8PredN
CC(C1CC1)=O161984.118C5H8O1-cyclopropylethan-1-oneN146CC(C1CC1)=OInChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3InChIKey=HVCFCNAITDHQFX-UHFFFAOYSA-N114.1Ex 99.13(BP est) -57.48(MP est) 111.30(BP exp) -68.30(MP exp) CC(C1CC1)=O -68.3ExptY(de Lacy Costello et al. 2014)
CC#COCC162084.118C5H8O1-ethoxyprop-1-yneN146CC#COCCInChI=1S/C5H8O/c1-3-5-6-4-2/h4H2,1-2H3InChIKey=AEENFMCEQQAULS-UHFFFAOYSA-N89.3Ex 90.40(BP est) -29.80(MP est) ----(BP exp) ----(MP exp) CC#COCC -29.8PredN
CCC#COC162184.118C5H8O1-methoxybut-1-yneN146CCC#COCInChI=1S/C5H8O/c1-3-4-5-6-2/h3H2,1-2H3InChIKey=LWOLUVLUAVXOMH-UHFFFAOYSA-N90.4Ex 90.40(BP est) -29.80(MP est) ----(BP exp) ----(MP exp) CCC#COC -29.8PredN
COC=CC=C162284.118C5H8O1-methoxybuta-1,3-dieneN146COC=CC=CInChI=1S/C5H8O/c1-3-4-5-6-2/h3-5H,1H2,2H3InChIKey=KOCUMXQOUWPSLK-UHFFFAOYSA-N88.0Ex 78.32(BP est) -89.79(MP est) 91.50(BP exp) ----(MP exp) COC=CC=C -89.8PredN
COC1=CCC1162384.118C5H8O1-methoxycyclobut-1-eneN146COC1=CCC1InChI=1S/C5H8O/c1-6-5-3-2-4-5/h3H,2,4H2,1H3InChIKey=QUOWJBWZSDXDJA-UHFFFAOYSA-N87.3Ex 87.29(BP est) -67.79(MP est) ----(BP exp) ----(MP exp) COC1=CCC1 -67.8PredN
CC12C(O2)CC1162484.118C5H8O1-methyl-5-oxabicyclo[2.1.0]pentaneN146CC12C(O2)CC1InChI=1S/C5H8O/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3InChIKey=LJLRAHNTYXRNCT-UHFFFAOYSA-N71.3Ex 71.31(BP est) -54.60(MP est) ----(BP exp) ----(MP exp) CC12C(O2)CC1 -54.6PredN
OC1(CC=C1)C162584.118C5H8O1-methylcyclobut-2-en-1-olN146OC1(CC=C1)CInChI=1S/C5H8O/c1-5(6)3-2-4-5/h2-3,6H,4H2,1H3InChIKey=FNWVDKDUWOXRED-UHFFFAOYSA-N115.7Ex 115.67(BP est) -36.64(MP est) ----(BP exp) ----(MP exp) OC1(CC=C1)C -36.6PredN
O=CC1(CC1)C162684.118C5H8O1-methylcyclopropane-1-carbaldehydeN146O=CC1(CC1)CInChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3InChIKey=DOJZSEYEQKWUSI-UHFFFAOYSA-N100.4Ex 100.43(BP est) -49.11(MP est) ----(BP exp) ----(MP exp) O=CC1(CC1)C -49.1PredN
C1C2(CCC2)O1162784.118C5H8O1-oxaspiro[2.3]hexaneN146C1C2(CCC2)O1InChI=1S/C5H8O/c1-2-5(3-1)4-6-5/h1-4H2InChIKey=APUDJEBZDAGSQY-UHFFFAOYSA-N90.5Ex 80.81(BP est) -51.47(MP est) ----(BP exp) ----(MP exp) C1C2(CCC2)O1 -51.5PredN
OC1(C=C)CC1162884.118C5H8O1-vinylcyclopropan-1-olN146OC1(C=C)CC1InChI=1S/C5H8O/c1-2-5(6)3-4-5/h2,6H,1,3-4H2InChIKey=YVFKCLVVUXZYJI-UHFFFAOYSA-N108.7Ex 108.66(BP est) -38.18(MP est) ----(BP exp) ----(MP exp) OC1(C=C)CC1 -38.2PredN
C=COC(C)=C162984.118C5H8O2-(vinyloxy)prop-1-eneN146C=COC(C)=CInChI=1S/C5H8O/c1-4-6-5(2)3/h4H,1-2H2,3H3InChIKey=VIEXGYLWFCRXOB-UHFFFAOYSA-N61.9Ex 61.85(BP est) -99.92(MP est) ----(BP exp) ----(MP exp) C=COC(C)=C -99.9PredN
C=CCC1CO1163084.118C5H8O2-allyloxiraneN146C=CCC1CO1InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2,5H,1,3-4H2InChIKey=SPXXVGQMQJYJJO-UHFFFAOYSA-N93.0Ex 80.64(BP est) -75.44(MP est) ----(BP exp) ----(MP exp) C=CCC1CO1 -75.4PredN
O=CCC1CC1163184.118C5H8O2-cyclopropylacetaldehydeN146O=CCC1CC1InChI=1S/C5H8O/c6-4-3-5-1-2-5/h4-5H,1-3H2InChIKey=TUHIBIVYQLRGME-UHFFFAOYSA-N113.0Ex 112.98(BP est) -57.40(MP est) ----(BP exp) ----(MP exp) O=CCC1CC1 -57.4PredN
CC(O1)=C1CC163284.118C5H8O2-ethyl-3-methyloxireneN146CC(O1)=C1CCInChI=1S/C5H8O/c1-3-5-4(2)6-5/h3H2,1-2H3InChIKey=UWJMWHLBKOJTMS-UHFFFAOYSA-N88.6Ex 88.61(BP est) -57.21(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1CC -57.2PredN
COC(C=C)=C163384.118C5H8O2-methoxybuta-1,3-dieneN146COC(C=C)=CInChI=1S/C5H8O/c1-4-5(2)6-3/h4H,1-2H2,3H3InChIKey=LYGKSUOGJYYSOI-UHFFFAOYSA-N75.5Ex 61.85(BP est) -99.92(MP est) ----(BP exp) ----(MP exp) COC(C=C)=C -99.9PredN
CC1C2(CC2)O1163484.118C5H8O2-methyl-1-oxaspiro[2.2]pentaneN146CC1C2(CC2)O1InChI=1S/C5H8O/c1-4-5(6-4)2-3-5/h4H,2-3H2,1H3InChIKey=HBPKNOJGPQZKBZ-UHFFFAOYSA-N71.3Ex 71.31(BP est) -54.60(MP est) ----(BP exp) ----(MP exp) CC1C2(CC2)O1 -54.6PredN
CC1(C=C)CO1163584.118C5H8O2-methyl-2-vinyloxiraneN146CC1(C=C)CO1InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3InChIKey=FVCDMHWSPLRYAB-UHFFFAOYSA-N67.5Ex 67.45(BP est) -67.34(MP est) ----(BP exp) ----(MP exp) CC1(C=C)CO1 -67.3PredN
CC1C(C=C)O1163684.118C5H8O2-methyl-3-vinyloxiraneN146CC1C(C=C)O1InChI=1S/C5H8O/c1-3-5-4(2)6-5/h3-5H,1H2,2H3InChIKey=SZERAFCDZCHRQS-UHFFFAOYSA-N83.0Ex 73.43(BP est) -79.66(MP est) ----(BP exp) ----(MP exp) CC1C(C=C)O1 -79.7PredN
O=CC(C)=CC163784.118C5H8O2-methylbut-2-enalN146O=CC(C)=CCInChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3InChIKey=ACWQBUSCFPJUPN-UHFFFAOYSA-N116.0Ex 109.79(BP est) -76.82(MP est) 117.00(BP exp) ----(MP exp) O=CC(C)=CC -76.8PredY(Cha and Cadwallader 1995, Diaz et al. 2002, Irwin et al. 2012, DNP 2017)
O=CC(C=C)C163884.118C5H8O2-methylbut-3-enalN146O=CC(C=C)CInChI=1S/C5H8O/c1-3-5(2)4-6/h3-5H,1H2,2H3InChIKey=MFGWABPEZWYGGK-UHFFFAOYSA-N92.7Ex 92.70(BP est) -80.67(MP est) ----(BP exp) ----(MP exp) O=CC(C=C)C -80.7PredN
OCC(C#C)C163984.118C5H8O2-methylbut-3-yn-1-olN146OCC(C#C)CInChI=1S/C5H8O/c1-3-5(2)4-6/h1,5-6H,4H2,2H3InChIKey=QDLPJHIEFRSZJK-UHFFFAOYSA-N131.2Ex 131.23(BP est) -35.65(MP est) ----(BP exp) ----(MP exp) OCC(C#C)C -35.7PredN
OC(C)(C#C)C164084.118C5H8O2-methylbut-3-yn-2-olN146OC(C)(C#C)CInChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3InChIKey=CEBKHWWANWSNTI-UHFFFAOYSA-N104.0Ex 103.52(BP est) -35.03(MP est) 104.00(BP exp) 3.00(MP exp) OC(C)(C#C)C 3ExptN
O=C1C(C)CC1164184.118C5H8O2-methylcyclobutan-1-oneN146O=C1C(C)CC1InChI=1S/C5H8O/c1-4-2-3-5(4)6/h4H,2-3H2,1H3InChIKey=YQENJRQBTHILBT-UHFFFAOYSA-N121.8Ex 121.79(BP est) -43.48(MP est) ----(BP exp) ----(MP exp) O=C1C(C)CC1 -43.5PredY(DNP 2017)
O=CC1C(C)C1164284.118C5H8O2-methylcyclopropane-1-carbaldehydeN146O=CC1C(C)C1InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3InChIKey=LUAHIAJUNPNXHL-UHFFFAOYSA-N106.1Ex 106.12(BP est) -61.52(MP est) ----(BP exp) ----(MP exp) O=CC1C(C)C1 -61.5PredN
O=CC(CC)=C164384.118C5H8O2-methylenebutanalN146O=CC(CC)=CInChI=1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3InChIKey=GMLDCZYTIPCVMO-UHFFFAOYSA-N93.2Ex 100.67(BP est) -77.82(MP est) 92.50(BP exp) ----(MP exp) O=CC(CC)=C -77.8PredN
C=C1OCCC1164484.118C5H8O2-methylenetetrahydrofuranN146C=C1OCCC1InChI=1S/C5H8O/c1-5-3-2-4-6-5/h1-4H2InChIKey=GCQZRSVHYPEACN-UHFFFAOYSA-N88.0Ex 87.99(BP est) -66.97(MP est) ----(BP exp) ----(MP exp) C=C1OCCC1 -67PredN
C12OCC1CC2164584.118C5H8O2-oxabicyclo[2.2.0]hexaneN146C12OCC1CC2InChI=1S/C5H8O/c1-2-5-4(1)3-6-5/h4-5H,1-3H2InChIKey=UQZSKEVJQMREOH-UHFFFAOYSA-N86.7Ex 86.67(BP est) -63.83(MP est) ----(BP exp) ----(MP exp) C12OCC1CC2 -63.8PredN
CCCC1=CO1164684.118C5H8O2-propyloxireneN146CCCC1=CO1InChI=1S/C5H8O/c1-2-3-5-4-6-5/h4H,2-3H2,1H3InChIKey=LEIBDSYKFJVCDM-UHFFFAOYSA-N90.7Ex 90.70(BP est) -62.86(MP est) ----(BP exp) ----(MP exp) CCCC1=CO1 -62.9PredN
C=CC1OCC1164784.118C5H8O2-vinyloxetaneN146C=CC1OCC1InChI=1S/C5H8O/c1-2-5-3-4-6-5/h2,5H,1,3-4H2InChIKey=UFAKDGLOFJXMEN-UHFFFAOYSA-N82.9Ex 82.90(BP est) -76.54(MP est) ----(BP exp) ----(MP exp) C=CC1OCC1 -76.5PredN
C=CCOC=C164884.118C5H8O3-(vinyloxy)prop-1-eneN146C=CCOC=CInChI=1S/C5H8O/c1-3-5-6-4-2/h3-4H,1-2,5H2InChIKey=ZXABMDQSAABDMG-UHFFFAOYSA-N89.4Ex 68.75(BP est) -90.93(MP est) 66.00(BP exp) ----(MP exp) C=CCOC=C -90.9PredN
C1CCC=CO1164984.118C5H8O3,4-dihydro-2H-pyranN146C1CCC=CO1InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2InChIKey=BUDQDWGNQVEFAC-UHFFFAOYSA-N86.8Ex 99.44(BP est) -71.85(MP est) 86.00(BP exp) -70.00(MP exp) C1CCC=CO1 -70ExptN
C1CC=CCO1165084.118C5H8O3,6-dihydro-2H-pyranN146C1CC=CCO1InChI=1S/C5H8O/c1-2-4-6-5-3-1/h1-2H,3-5H2InChIKey=MUGSKSNNEORSJG-UHFFFAOYSA-N88.8Ex 99.44(BP est) -71.85(MP est) ----(BP exp) ----(MP exp) C1CC=CCO1 -71.9PredY(de Lacy Costello et al. 2014)
CCOCC#C165184.118C5H8O3-ethoxyprop-1-yneN146CCOCC#CInChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3InChIKey=ADJMUEKUQLFLQP-UHFFFAOYSA-N81.2Ex 81.24(BP est) -62.04(MP est) ----(BP exp) ----(MP exp) CCOCC#C -62PredN
COC(C#C)C165284.118C5H8O3-methoxybut-1-yneN146COC(C#C)CInChI=1S/C5H8O/c1-4-5(2)6-3/h1,5H,2-3H3InChIKey=IQZDPIFYYGRHQI-UHFFFAOYSA-N65.0Ex 66.17(BP est) -73.94(MP est) ----(BP exp) ----(MP exp) COC(C#C)C -73.9PredN
COC1CC=C1165384.118C5H8O3-methoxycyclobut-1-eneN146COC1CC=C1InChI=1S/C5H8O/c1-6-5-3-2-4-5/h2-3,5H,4H2,1H3InChIKey=GPVZIMIJJJWQKE-UHFFFAOYSA-N82.3Ex 82.28(BP est) -77.63(MP est) ----(BP exp) ----(MP exp) COC1CC=C1 -77.6PredN
CC1COC=C1165484.118C5H8O3-methyl-2,3-dihydrofuranN146CC1COC=C1InChI=1S/C5H8O/c1-5-2-3-6-4-5/h2-3,5H,4H2,1H3InChIKey=GLXIOXNPORODGG-UHFFFAOYSA-N69.5Ex 90.20(BP est) -74.91(MP est) ----(BP exp) ----(MP exp) CC1COC=C1 -74.9PredY(DNP 2017)
O=CC=C(C)C165684.118C5H8O3-methylbut-2-enalN146O=CC=C(C)CInChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3InChIKey=SEPQTYODOKLVSB-UHFFFAOYSA-N134.0Ex 109.79(BP est) -76.82(MP est) 134.00(BP exp) ----(MP exp) O=CC=C(C)C -76.8PredY(DNP 2017)
C=C(C(C)=O)C165784.118C5H8O3-methylbut-3-en-2-oneN146C=C(C(C)=O)CInChI=1S/C5H8O/c1-4(2)5(3)6/h1H2,2-3H3InChIKey=ZGHFDIIVVIFNPS-UHFFFAOYSA-N98.0Ex 86.56(BP est) -77.98(MP est) 98.00(BP exp) -54.00(MP exp) C=C(C(C)=O)C -54ExptY(Irwin et al. 2012)
O=CCC(C)=C165884.118C5H8O3-methylbut-3-enalN146O=CCC(C)=CInChI=1S/C5H8O/c1-5(2)3-4-6/h4H,1,3H2,2H3InChIKey=VEEFADFWCHSFIU-UHFFFAOYSA-N100.7Ex 100.67(BP est) -77.82(MP est) ----(BP exp) ----(MP exp) O=CCC(C)=C -77.8PredN
O=C1CC(C)C1165984.118C5H8O3-methylcyclobutan-1-oneN146O=C1CC(C)C1InChI=1S/C5H8O/c1-4-2-5(6)3-4/h4H,2-3H2,1H3InChIKey=JOAKNMHVZBHWFI-UHFFFAOYSA-N112.5Ex 121.79(BP est) -43.48(MP est) ----(BP exp) ----(MP exp) O=C1CC(C)C1 -43.5PredN
C=CC1COC1166084.118C5H8O3-vinyloxetaneN146C=CC1COC1InChI=1S/C5H8O/c1-2-5-3-6-4-5/h2,5H,1,3-4H2InChIKey=ZBNINTSJLCOGLO-UHFFFAOYSA-N82.9Ex 82.90(BP est) -76.54(MP est) ----(BP exp) ----(MP exp) C=CC1COC1 -76.5PredN
COCCC#C166184.118C5H8O4-methoxybut-1-yneN146COCCC#CInChI=1S/C5H8O/c1-3-4-5-6-2/h1H,4-5H2,2H3InChIKey=RCYIWFITYHZCIW-UHFFFAOYSA-N75.0Ex 81.24(BP est) -62.04(MP est) ----(BP exp) ----(MP exp) COCCC#C -62PredN
CC1=COCC1166284.118C5H8O4-methyl-2,3-dihydrofuranN146CC1=COCC1InChI=1S/C5H8O/c1-5-2-3-6-4-5/h4H,2-3H2,1H3InChIKey=FWGYRFWKBWPRJD-UHFFFAOYSA-N95.2Ex 95.16(BP est) -65.08(MP est) ----(BP exp) ----(MP exp) CC1=COCC1 -65.1PredY(DNP 2017)
C1CC2(CC2)O1166384.118C5H8O4-oxaspiro[2.3]hexaneN146C1CC2(CC2)O1InChI=1S/C5H8O/c1-2-5(1)3-4-6-5/h1-4H2InChIKey=MYTWAVYEZDXWGV-UHFFFAOYSA-N80.8Ex 80.81(BP est) -51.47(MP est) ----(BP exp) ----(MP exp) C1CC2(CC2)O1 -51.5PredN
CC1=CCCO1166484.118C5H8O5-methyl-2,3-dihydrofuranN146CC1=CCCO1InChI=1S/C5H8O/c1-5-3-2-4-6-5/h3H,2,4H2,1H3InChIKey=BGCWDXXJMUHZHE-UHFFFAOYSA-N79.4Ex 95.16(BP est) -65.08(MP est) ----(BP exp) ----(MP exp) CC1=CCCO1 -65.1PredN
C1(CC2)CC2O1166584.118C5H8O5-oxabicyclo[2.1.1]hexaneN146C1(CC2)CC2O1InChI=1S/C5H8O/c1-2-5-3-4(1)6-5/h4-5H,1-3H2InChIKey=ZQCZKNJMUNAGGK-UHFFFAOYSA-N86.7Ex 86.67(BP est) -63.83(MP est) ----(BP exp) ----(MP exp) C1(CC2)CC2O1 -63.8PredN
C1C2(CC2)CO1166684.118C5H8O5-oxaspiro[2.3]hexaneN146C1C2(CC2)CO1InChI=1S/C5H8O/c1-2-5(1)3-6-4-5/h1-4H2InChIKey=RNXCGGSGVVDINA-UHFFFAOYSA-N103.5Ex 80.81(BP est) -51.47(MP est) ----(BP exp) ----(MP exp) C1C2(CC2)CO1 -51.5PredN
C1(CCC2)C2O1166784.118C5H8O6-oxabicyclo[3.1.0]hexaneN146C1(CCC2)C2O1InChI=1S/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H2InChIKey=GJEZBVHHZQAEDB-UHFFFAOYSA-N102.0Ex 86.67(BP est) -63.83(MP est) 102.00(BP exp) ----(MP exp) C1(CCC2)C2O1 -63.8PredN
OCC1CC=C1166884.118C5H8Ocyclobut-2-en-1-ylmethanolN146OCC1CC=C1InChI=1S/C5H8O/c6-4-5-2-1-3-5/h1-2,5-6H,3-4H2InChIKey=DIKTXMYNZIOFEM-UHFFFAOYSA-N145.8Ex 145.76(BP est) -39.80(MP est) ----(BP exp) ----(MP exp) OCC1CC=C1 -39.8PredN
O=CC1CCC1166984.118C5H8OcyclobutanecarbaldehydeN146O=CC1CCC1InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2InChIKey=INVYSLWXPIEDIQ-UHFFFAOYSA-N113.0Ex 115.13(BP est) -58.53(MP est) ----(BP exp) ----(MP exp) O=CC1CCC1 -58.5PredN
OC1CCC=C1167084.118C5H8Ocyclopent-2-en-1-olN146OC1CCC=C1InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2InChIKey=PSBABBDEUFNFKJ-UHFFFAOYSA-N140.0Ex 140.59(BP est) -43.07(MP est) ----(BP exp) ----(MP exp) OC1CCC=C1 -43.1PredN
OC1CC=CC1167184.118C5H8Ocyclopent-3-en-1-olN146OC1CC=CC1InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2InChIKey=WEIMJSIRDZDHAH-UHFFFAOYSA-N140.6Ex 140.59(BP est) -43.07(MP est) ----(BP exp) ----(MP exp) OC1CC=CC1 -43.1PredY(Viuda-Martos et al. 2010)
C(C1)C(=O)C(C1)167284.118C5H8OcyclopentanoneN146C(C1)C(=O)C(C1)InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2InChIKey=BGTOWKSIORTVQH-UHFFFAOYSA-N144.6Ex 130.58(BP est) -40.55(MP est) 130.50(BP exp) -51.30(MP exp) C(C1)C(=O)C(C1) -51.3ExptY(Schulz and Dickschat 2007)
C=CC(CC)=O167384.118C5H8Opent-1-en-3-oneN146C=CC(CC)=OInChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3InChIKey=JLIDVCMBCGBIEY-UHFFFAOYSA-N101.4Ex 93.22(BP est) -69.06(MP est) 103.00(BP exp) ----(MP exp) C=CC(CC)=O -69.1PredY(Cha and Cadwallader 1995)
OC(C#C)CC167484.118C5H8Opent-1-yn-3-olN146OC(C#C)CCInChI=1S/C5H8O/c1-3-5(6)4-2/h1,5-6H,4H2,2H3InChIKey=LBSKEFWQPNVWTP-UHFFFAOYSA-N124.7Ex 123.81(BP est) -37.81(MP est) 125.00(BP exp) ----(MP exp) OC(C#C)CC -37.8PredN
O=CC=CCC167584.118C5H8Opent-2-enalN146O=CC=CCCInChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3InChIKey=DTCCTIQRPGSLPT-UHFFFAOYSA-N122.4Ex 116.21(BP est) -67.97(MP est) ----(BP exp) ----(MP exp) O=CC=CCC -68PredY(Cha and Cadwallader 1995)
OCC#CCC167684.118C5H8Opent-2-yn-1-olN146OCC#CCCInChI=1S/C5H8O/c1-2-3-4-5-6/h6H,2,5H2,1H3InChIKey=WLPYSOCRPHTIDZ-UHFFFAOYSA-N153.1Ex 153.08(BP est) 7.80(MP est) ----(BP exp) ----(MP exp) OCC#CCC 7.8PredY(De Lucca et al. 2012)
CC=CC(C)=O167784.118C5H8Opent-3-en-2-oneN146CC=CC(C)=OInChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3InChIKey=LABTWGUMFABVFG-UHFFFAOYSA-N121.2Ex 102.44(BP est) -68.02(MP est) 122.00(BP exp) ----(MP exp) CC=CC(C)=O -68PredY(Cha and Cadwallader 1995)
O=CCC=CC167884.118C5H8Opent-3-enalN146O=CCC=CCInChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3InChIKey=WUCQRXWCJPCWTQ-UHFFFAOYSA-N75.0Ex 116.21(BP est) -67.97(MP est) ----(BP exp) ----(MP exp) O=CCC=CC -68PredN
OCCC#CC167984.118C5H8Opent-3-yn-1-olN146OCCC#CCInChI=1S/C5H8O/c1-2-3-4-5-6/h6H,4-5H2,1H3InChIKey=IDYNOORNKYEHHO-UHFFFAOYSA-N154.0Ex 153.08(BP est) 7.80(MP est) 154.00(BP exp) ----(MP exp) OCCC#CC 7.8PredN
OC(C#CC)C168084.118C5H8Opent-3-yn-2-olN146OC(C#CC)CInChI=1S/C5H8O/c1-3-4-5(2)6/h5-6H,1-2H3InChIKey=HJFRLXPEVRXBQZ-UHFFFAOYSA-N132.4Ex 132.37(BP est) -5.75(MP est) ----(BP exp) ----(MP exp) OC(C#CC)C -5.8PredN
CC(CC=C)=O168184.118C5H8Opent-4-en-2-oneN146CC(CC=C)=OInChI=1S/C5H8O/c1-3-4-5(2)6/h3H,1,4H2,2H3InChIKey=PNJWIWWMYCMZRO-UHFFFAOYSA-N93.2Ex 93.22(BP est) -69.06(MP est) ----(BP exp) ----(MP exp) CC(CC=C)=O -69.1PredY(DNP 2017)
O=CCCC=C168284.118C5H8Opent-4-enalN146O=CCCC=CInChI=1S/C5H8O/c1-2-3-4-5-6/h2,5H,1,3-4H2InChIKey=QUMSUJWRUHPEEJ-UHFFFAOYSA-N99.0Ex 107.19(BP est) -68.94(MP est) 99.00(BP exp) ----(MP exp) O=CCCC=C -68.9PredY(Sun et al. 2012)
OCCCC#C168384.118C5H8Opent-4-yn-1-olN146OCCCC#CInChI=1S/C5H8O/c1-2-3-4-5-6/h1,6H,3-5H2InChIKey=CRWVOXFUXPYTRK-UHFFFAOYSA-N154.0Ex 144.83(BP est) -24.18(MP est) 154.00(BP exp) ----(MP exp) OCCCC#C -24.2PredN
OC(CC#C)C168484.118C5H8Opent-4-yn-2-olN146OC(CC#C)CInChI=1S/C5H8O/c1-3-4-5(2)6/h1,5-6H,4H2,2H3InChIKey=JTHLRRZARWSHBE-UHFFFAOYSA-N123.8Ex 123.81(BP est) -37.81(MP est) ----(BP exp) ----(MP exp) OC(CC#C)C -37.8PredN
OC(C=C)C=C168584.118C5H8Openta-1,4-dien-3-olN146OC(C=C)C=CInChI=1S/C5H8O/c1-3-5(6)4-2/h3-6H,1-2H2InChIKey=ICMWSAALRSINTC-UHFFFAOYSA-N102.5Ex 112.13(BP est) -66.47(MP est) 115.50(BP exp) ----(MP exp) OC(C=C)C=C -66.5PredN
OCCC=C=C168684.118C5H8Openta-3,4-dien-1-olN146OCCC=C=CInChI=1S/C5H8O/c1-2-3-4-5-6/h3,6H,1,4-5H2InChIKey=WHQNQGMPXBYFSM-UHFFFAOYSA-N137.1Ex 137.07(BP est) -47.55(MP est) ----(BP exp) ----(MP exp) OCCC=C=C -47.6PredN
N1CCCN=C1168784.122C4H8N21,4,5,6-tetrahydropyrimidineN146N1CCCN=C1InChI=1S/C4H8N2/c1-2-5-4-6-3-1/h4H,1-3H2,(H,5,6)InChIKey=VBXZSFNZVNDOPB-UHFFFAOYSA-N260.3Ex 260.29(BP est) 44.48(MP est) ----(BP exp) ----(MP exp) N1CCCN=C1 44.5PredN
CN(N)CC#C168884.122C4H8N21-methyl-1-(prop-2-yn-1-yl)hydrazineN146CN(N)CC#CInChI=1S/C4H8N2/c1-3-4-6(2)5/h1H,4-5H2,2H3InChIKey=PJDXKHMHDLLSDJ-UHFFFAOYSA-N119.3Ex 119.28(BP est) -9.82(MP est) ----(BP exp) ----(MP exp) CN(N)CC#C -9.8PredN
CNNCC#C168984.122C4H8N21-methyl-2-(prop-2-yn-1-yl)hydrazineN146CNNCC#CInChI=1S/C4H8N2/c1-3-4-6-5-2/h1,5-6H,4H2,2H3InChIKey=HDXKFTAOEDUCPG-UHFFFAOYSA-N122.0Ex 121.97(BP est) -14.24(MP est) ----(BP exp) ----(MP exp) CNNCC#C -14.2PredN
N#CCN(C)C169084.122C4H8N22-(dimethylamino)acetonitrileN146N#CCN(C)CInChI=1S/C4H8N2/c1-6(2)4-3-5/h4H2,1-2H3InChIKey=PLXBWEPPAAQASG-UHFFFAOYSA-N138.0Ex 142.34(BP est) -35.71(MP est) 137.50(BP exp) ----(MP exp) N#CCN(C)C -35.7PredY(Garner et al. 2007, de Lacy Costello et al. 2014)
CCNCC#N169184.122C4H8N22-(ethylamino)acetonitrileN146CCNCC#NInChI=1S/C4H8N2/c1-2-6-4-3-5/h6H,2,4H2,1H3InChIKey=VXAOLDZFARINGE-UHFFFAOYSA-N162.1Ex 162.06(BP est) -19.85(MP est) ----(BP exp) ----(MP exp) CCNCC#N -19.9PredN
CC(C#N)NC169284.122C4H8N22-(methylamino)propanenitrileN146CC(C#N)NCInChI=1S/C4H8N2/c1-4(3-5)6-2/h4,6H,1-2H3InChIKey=MTKGPLGETVCLCF-UHFFFAOYSA-N148.9Ex 148.90(BP est) -31.20(MP est) ----(BP exp) ----(MP exp) CC(C#N)NC -31.2PredN
NC(C)(C#N)C169384.122C4H8N22-amino-2-methylpropanenitrileN146NC(C)(C#N)CInChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3InChIKey=JQULXIOYDDCNGR-UHFFFAOYSA-N157.4Ex 157.35(BP est) -4.72(MP est) ----(BP exp) ----(MP exp) NC(C)(C#N)C -4.7PredN
N[C@](CC)(C#N)[H]169484.122C4H8N22-aminobutanenitrileN146N[C@](CC)(C#N)[H]InChI=1S/C4H8N2/c1-2-4(6)3-5/h4H,2,6H2,1H3InChIKey=DQQIUVCNBOJDGF-UHFFFAOYSA-N165.9Ex 165.91(BP est) -10.93(MP est) ----(BP exp) ----(MP exp) N[C@](CC)(C#N)[H] -10.9PredN
CC1=NCCN1169584.122C4H8N22-methyl-4,5-dihydro-1H-imidazoleN146CC1=NCCN1InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h2-3H2,1H3,(H,5,6)InChIKey=VWSLLSXLURJCDF-UHFFFAOYSA-N196.5Ex 257.27(BP est) 51.61(MP est) 196.50(BP exp) 107.00(MP exp) CC1=NCCN1 107ExptY(de Lacy Costello et al. 2014)
C=C1NCCN1169684.122C4H8N22-methyleneimidazolidineN146C=C1NCCN1InChI=1S/C4H8N2/c1-4-5-2-3-6-4/h5-6H,1-3H2InChIKey=ROLNAQAIJCRSCC-UHFFFAOYSA-N156.4Ex 156.37(BP est) 8.37(MP est) ----(BP exp) ----(MP exp) C=C1NCCN1 8.4PredN
N#CCCNC169784.122C4H8N23-(methylamino)propanenitrileN146N#CCCNCInChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3InChIKey=UNIJBMUBHBAUET-UHFFFAOYSA-N162.1Ex 162.06(BP est) -19.85(MP est) ----(BP exp) ----(MP exp) N#CCCNC -19.9PredN
NCC(C#N)C169884.122C4H8N23-amino-2-methylpropanenitrileN146NCC(C#N)CInChI=1S/C4H8N2/c1-4(2-5)3-6/h4H,2,5H2,1H3InChIKey=GDIMNXJSMJSDSB-UHFFFAOYSA-N165.9Ex 165.91(BP est) -10.93(MP est) ----(BP exp) ----(MP exp) NCC(C#N)C -10.9PredN
N[C@](CC#N)(C)[H]169984.122C4H8N23-aminobutanenitrileN146N[C@](CC#N)(C)[H]InChI=1S/C4H8N2/c1-4(6)2-3-5/h4H,2,6H2,1H3InChIKey=PPBSMPOYVPZOFM-UHFFFAOYSA-N165.9Ex 165.91(BP est) -10.93(MP est) ----(BP exp) ----(MP exp) N[C@](CC#N)(C)[H] -10.9PredN
NC1=CCCN1170084.122C4H8N24,5-dihydro-1H-pyrrol-2-amineN146NC1=CCCN1InChI=1S/C4H8N2/c5-4-2-1-3-6-4/h2,6H,1,3,5H2InChIKey=AHFWKTKIRQCWCQ-UHFFFAOYSA-N163.6Ex 163.59(BP est) 5.99(MP est) ----(BP exp) ----(MP exp) NC1=CCCN1 6PredN
NCCCC#N170184.122C4H8N24-aminobutanenitrileN146NCCCC#NInChI=1S/C4H8N2/c5-3-1-2-4-6/h1-3,5H2InChIKey=XGYKKVTZDQDYJQ-UHFFFAOYSA-N178.7Ex 178.65(BP est) 0.29(MP est) ----(BP exp) ----(MP exp) NCCCC#N 0.3PredN
CC1=CCNN1170284.122C4H8N25-methyl-2,3-dihydro-1H-pyrazoleN146CC1=CCNN1InChI=1S/C4H8N2/c1-4-2-3-5-6-4/h2,5-6H,3H2,1H3InChIKey=STYNLVLGNUXNJE-UHFFFAOYSA-N162.8Ex 162.75(BP est) 11.07(MP est) ----(BP exp) ----(MP exp) CC1=CCNN1 11.1PredN
NCC#CCN170384.122C4H8N2but-2-yne-1,4-diamineN146NCC#CCNInChI=1S/C4H8N2/c5-3-1-2-4-6/h3-6H2InChIKey=CSZGEDPWASKNHR-UHFFFAOYSA-N165.2Ex 165.18(BP est) 20.67(MP est) ----(BP exp) ----(MP exp) NCC#CCN 20.7PredN
NNCCC#C170484.122C4H8N2but-3-yn-1-ylhydrazineN146NNCCC#CInChI=1S/C4H8N2/c1-2-3-4-6-5/h1,6H,3-5H2InChIKey=NETYPGJDRASSEG-UHFFFAOYSA-N139.8Ex 139.82(BP est) 6.27(MP est) ----(BP exp) ----(MP exp) NNCCC#C 6.3PredN
NNC(C#C)C170584.122C4H8N2but-3-yn-2-ylhydrazineN146NNC(C#C)CInChI=1S/C4H8N2/c1-3-4(2)6-5/h1,4,6H,5H2,2H3InChIKey=VYYJXDWNCBBAGJ-UHFFFAOYSA-N126.1Ex 126.11(BP est) -5.23(MP est) ----(BP exp) ----(MP exp) NNC(C#C)C -5.2PredN
NC(N)=CC=C170684.122C4H8N2buta-1,3-diene-1,1-diamineN146NC(N)=CC=CInChI=1S/C4H8N2/c1-2-3-4(5)6/h2-3H,1,5-6H2InChIKey=YJKFYISHMUIQOV-UHFFFAOYSA-N148.6Ex 148.55(BP est) -9.76(MP est) ----(BP exp) ----(MP exp) NC(N)=CC=C -9.8PredN
NNC1CC=C1170784.122C4H8N2cyclobut-2-en-1-ylhydrazineN146NNC1CC=C1InChI=1S/C4H8N2/c5-6-4-2-1-3-4/h1-2,4,6H,3,5H2InChIKey=IBGFCONBPXZCPN-UHFFFAOYSA-N140.8Ex 140.77(BP est) -9.34(MP est) ----(BP exp) ----(MP exp) NNC1CC=C1 -9.3PredN
NC(N)=C1CC1170884.122C4H8N2cyclopropylidenemethanediamineN146NC(N)=C1CC1InChI=1S/C4H8N2/c5-4(6)3-1-2-3/h1-2,5-6H2InChIKey=NXABYCWNJIDLGU-UHFFFAOYSA-N156.5Ex 156.46(BP est) 12.24(MP est) ----(BP exp) ----(MP exp) NC(N)=C1CC1 12.2PredN
N=C=NC(C)C170984.122C4H8N2N-isopropylmethanediimineN146N=C=NC(C)CInChI=1S/C4H8N2/c1-4(2)6-3-5/h4-5H,1-2H3InChIKey=UPXAZUFKXWLNMF-UHFFFAOYSA-N117.4Ex 117.38(BP est) -53.33(MP est) ----(BP exp) ----(MP exp) N=C=NC(C)C -53.3PredN
C#CC1CS1171084.136C4H4S2-ethynylthiiraneN95C#CC1CS1InChI=1S/C4H4S/c1-2-4-3-5-4/h1,4H,3H2InChIKey=AMFGUSPMYQPPQQ-UHFFFAOYSA-N102.9Ex 102.85(BP est) -24.78(MP est) ----(BP exp) ----(MP exp) C#CC1CS1 -24.8PredN
C=CC1=CS1171184.136C4H4S2-vinylthiireneN95C=CC1=CS1InChI=1S/C4H4S/c1-2-4-3-5-4/h2-3H,1H2InChIKey=GWDGJHAXBDTZDH-UHFFFAOYSA-N100.7Ex 100.68(BP est) -41.02(MP est) ----(BP exp) ----(MP exp) C=CC1=CS1 -41PredN
C1(S2)=C2CC1171284.136C4H4S5-thiabicyclo[2.1.0]pent-1(4)-eneN95C1(S2)=C2CC1InChI=1S/C4H4S/c1-2-4-3(1)5-4/h1-2H2InChIKey=CREJYFWRRKQWMS-UHFFFAOYSA-N109.2Ex 109.20(BP est) -18.55(MP est) ----(BP exp) ----(MP exp) C1(S2)=C2CC1 -18.6PredN
C1=CC=CS1171384.136C4H4SthiopheneN95C1=CC=CS1InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4HInChIKey=YTPLMLYBLZKORZ-UHFFFAOYSA-N84.0Ex 113.93(BP est) -45.67(MP est) 84.00(BP exp) -39.40(MP exp) C1=CC=CS1 -39.4ExptY(Romoli et al. 2011)
CC1CC1(C)C171484.162C6H121,1,2-trimethylcyclopropaneN186CC1CC1(C)CInChI=1S/C6H12/c1-5-4-6(5,2)3/h5H,4H2,1-3H3InChIKey=BXIIJPAVISPOGI-UHFFFAOYSA-N52.5Ex 55.11(BP est) -79.83(MP est) 54.00(BP exp) -138.20(MP exp) CC1CC1(C)C -138.2ExptN
CC1(CCC1)C171584.162C6H121,1-dimethylcyclobutaneN186CC1(CCC1)CInChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3InChIKey=OFZYBEBWCZBCPM-UHFFFAOYSA-N56.0Ex 64.84(BP est) -76.63(MP est) ----(BP exp) ----(MP exp) CC1(CCC1)C -76.6PredN
CC1C(C)C1C171684.162C6H121,2,3-trimethylcyclopropaneN186CC1C(C)C1CInChI=1S/C6H12/c1-4-5(2)6(4)3/h4-6H,1-3H3InChIKey=PSGQRAAEZLHVDT-UHFFFAOYSA-N66.0Ex 61.19(BP est) -92.13(MP est) ----(BP exp) ----(MP exp) CC1C(C)C1C -92.1PredN
CC1CCC1C171784.162C6H121,2-dimethylcyclobutaneN186CC1CCC1CInChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3InChIKey=IVAGOJQDJFWIRT-UHFFFAOYSA-N64.0Ex 70.83(BP est) -88.95(MP est) ----(BP exp) ----(MP exp) CC1CCC1C -89PredN
CC1CC(C)C1171884.162C6H121,3-dimethylcyclobutaneN186CC1CC(C)C1InChI=1S/C6H12/c1-5-3-6(2)4-5/h5-6H,3-4H2,1-2H3InChIKey=WKHRDGKOKYBNDZ-UHFFFAOYSA-N59.5Ex 70.83(BP est) -88.95(MP est) ----(BP exp) ----(MP exp) CC1CC(C)C1 -89PredN
CC1(CC)CC1171984.162C6H121-ethyl-1-methylcyclopropaneN186CC1(CC)CC1InChI=1S/C6H12/c1-3-6(2)4-5-6/h3-5H2,1-2H3InChIKey=CXYUCHDVLWUDNS-UHFFFAOYSA-N56.8Ex 62.51(BP est) -75.55(MP est) 56.80(BP exp) -130.20(MP exp) CC1(CC)CC1 -130.2ExptN
CC1CC1CC172084.162C6H121-ethyl-2-methylcyclopropaneN186CC1CC1CCInChI=1S/C6H12/c1-3-6-4-5(6)2/h5-6H,3-4H2,1-2H3InChIKey=SAHWBARCQUAFSM-UHFFFAOYSA-N62.8Ex 68.53(BP est) -87.86(MP est) ----(BP exp) ----(MP exp) CC1CC1CC -87.9PredN
CC(C(C)=C)C172284.162C6H122,3-dimethylbut-1-eneN186CC(C(C)=C)CInChI=1S/C6H12/c1-5(2)6(3)4/h6H,1H2,2-4H3InChIKey=OWWIWYDDISJUMY-UHFFFAOYSA-N55.4Ex 47.29(BP est) -116.27(MP est) 55.60(BP exp) -157.30(MP exp) CC(C(C)=C)C -157.3ExptY(Garner et al. 2007, de Lacy Costello et al. 2014)
CC(C)=C(C)C172384.162C6H122,3-dimethylbut-2-eneN186CC(C)=C(C)CInChI=1S/C6H12/c1-5(2)6(3)4/h1-4H3InChIKey=WGLLSSPDPJPLOR-UHFFFAOYSA-N73.1Ex 65.55(BP est) -112.08(MP est) 73.30(BP exp) -74.60(MP exp) CC(C)=C(C)C -74.6ExptY(DNP 2017)
C=C(CCC)C172484.162C6H122-methylpent-1-eneN186C=C(CCC)CInChI=1S/C6H12/c1-4-5-6(2)3/h2,4-5H2,1,3H3InChIKey=WWUVJRULCWHUSA-UHFFFAOYSA-N62.0Ex 62.76(BP est) -104.26(MP est) 62.10(BP exp) -135.70(MP exp) C=C(CCC)C -135.7ExptY(de Lacy Costello et al. 2014)
CCC=C(C)C172584.162C6H122-methylpent-2-eneN186CCC=C(C)CInChI=1S/C6H12/c1-4-5-6(2)3/h5H,4H2,1-3H3InChIKey=JMMZCWZIJXAGKW-UHFFFAOYSA-N67.0Ex 72.41(BP est) -103.10(MP est) 67.30(BP exp) -135.00(MP exp) CCC=C(C)C -135ExptY(Gu et al. 2013, de Lacy Costello et al. 2014)
CC(C)(C=C)C172684.162C6H123,3-dimethylbut-1-eneN186CC(C)(C=C)CInChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3InChIKey=PKXHXOTZMFCXSH-UHFFFAOYSA-N41.1Ex 44.09(BP est) -101.52(MP est) 41.20(BP exp) -115.20(MP exp) CC(C)(C=C)C -115.2ExptY(de Lacy Costello et al. 2014)
C=C(CC)CC172784.162C6H123-methylenepentaneN186C=C(CC)CCInChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3InChIKey=RYKZRKKEYSRDNF-UHFFFAOYSA-N64.5Ex 62.76(BP est) -104.26(MP est) 64.70(BP exp) -131.50(MP exp) C=C(CC)CC -131.5ExptY(de Lacy Costello et al. 2014)
CC(C=C)CC172884.162C6H123-methylpent-1-eneN186CC(C=C)CCInChI=1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3InChIKey=LDTAOIUHUHHCMU-UHFFFAOYSA-N54.1Ex 54.34(BP est) -107.24(MP est) 54.20(BP exp) -153.00(MP exp) CC(C=C)CC -153ExptY(de Lacy Costello et al. 2014)
CC=C(CC)C172984.162C6H123-methylpent-2-eneN186CC=C(CC)CInChI=1S/C6H12/c1-4-6(3)5-2/h4H,5H2,1-3H3InChIKey=BEQGRRJLJLVQAQ-UHFFFAOYSA-N68.0Ex 72.41(BP est) -103.10(MP est) 67.70(BP exp) -134.80(MP exp) CC=C(CC)C -134.8ExptY(de Lacy Costello et al. 2014)
CC(CC=C)C173084.162C6H124-methylpent-1-eneN186CC(CC=C)CInChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3InChIKey=WSSSPWUEQFSQQG-UHFFFAOYSA-N53.3Ex 54.34(BP est) -107.24(MP est) 53.90(BP exp) -153.60(MP exp) CC(CC=C)C -153.6ExptY(de Lacy Costello et al. 2014)
CC(C=CC)C173184.162C6H124-methylpent-2-eneN186CC(C=CC)CInChI=1S/C6H12/c1-4-5-6(2)3/h4-6H,1-3H3InChIKey=LGAQJENWWYGFSN-UHFFFAOYSA-N56.7Ex 64.10(BP est) -106.05(MP est) 59.00(BP exp) -120.00(MP exp) CC(C=CC)C -120ExptY(de Lacy Costello et al. 2014)
C1CCCCC1173284.162C6H12cyclohexaneN186C1CCCCC1InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2InChIKey=XDTMQSROBMDMFD-UHFFFAOYSA-N80.3Ex 89.72(BP est) -82.72(MP est) 80.70(BP exp) 6.60(MP exp) C1CCCCC1 6.6ExptY(Fuentes et al. 1996)
CCC1CCC1173384.162C6H12ethylcyclobutaneN186CCC1CCC1InChI=1S/C6H12/c1-2-6-4-3-5-6/h6H,2-5H2,1H3InChIKey=NEZRFXZYPAIZAD-UHFFFAOYSA-N70.3Ex 78.07(BP est) -84.72(MP est) 70.80(BP exp) -142.90(MP exp) CCC1CCC1 -142.9ExptY(El-Sayed 2014)
CCCCC=C173484.162C6H12hex-1-eneN186CCCCC=CInChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3InChIKey=LIKMAJRDDDTEIG-UHFFFAOYSA-N63.2Ex 69.66(BP est) -95.26(MP est) 63.40(BP exp) -139.70(MP exp) CCCCC=C -139.7ExptY(Irwin et al. 2012)
CC=CCCC173584.162C6H12hex-2-eneN186CC=CCCCInChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3InChIKey=RYPKRALMXUUNKS-UHFFFAOYSA-N67.8Ex 79.21(BP est) -94.13(MP est) 65.00(BP exp) -98.00(MP exp) CC=CCCC -98ExptY(Gu et al. 2013, El-Sayed 2014)
CCC=CCC173684.162C6H12hex-3-eneN186CCC=CCCInChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3InChIKey=ZQDPJFUHLCOCRG-UHFFFAOYSA-N66.5Ex 79.21(BP est) -94.13(MP est) 67.10(BP exp) -115.40(MP exp) CCC=CCC -115.4ExptN
CC(C1CC1)C173784.162C6H12isopropylcyclopropaneN186CC(C1CC1)CInChI=1S/C6H12/c1-5(2)6-3-4-6/h5-6H,3-4H2,1-2H3InChIKey=HPBROFGYTXOJIO-UHFFFAOYSA-N58.3Ex 60.60(BP est) -95.56(MP est) 58.30(BP exp) -112.90(MP exp) CC(C1CC1)C -112.9ExptN
CC1CCCC1173884.162C6H12methylcyclopentaneN186CC1CCCC1InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3InChIKey=GDOPTJXRTPNYNR-UHFFFAOYSA-N71.5Ex 80.34(BP est) -85.82(MP est) 71.80(BP exp) -142.50(MP exp) CC1CCCC1 -142.5ExptY(Fuentes et al. 1996, DNP 2017)
CCCC1CC1173984.162C6H12propylcyclopropaneN186CCCC1CC1InChI=1S/C6H12/c1-2-3-6-4-5-6/h6H,2-5H2,1H3InChIKey=MWVPQZRIWVPJCA-UHFFFAOYSA-N69.2Ex 75.79(BP est) -83.63(MP est) 69.10(BP exp) ----(MP exp) CCCC1CC1 -83.6PredN
[Si]12(CC2)CC1174084.193C4H8Si3-silaspiro[2.2]pentaneN135[Si]12(CC2)CC1InChI=1S/C4H8Si/c1-2-5(1)3-4-5/h1-4H2InChIKey=FLMNHEBVBRHTKR-UHFFFAOYSA-N23.1Ex 23.07(BP est) -49.13(MP est) ----(BP exp) ----(MP exp) [Si]12(CC2)CC1 -49.1PredN
OC(Cl)(F)174184.4744CH2ClFOchlorofluoromethanolN64OC(Cl)(F)InChI=1S/CH2ClFO/c2-1(3)4/h1,4HInChIKey=JBNADNGONRCSBH-UHFFFAOYSA-N72.8Ex 72.77(BP est) -83.49(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F) -83.5PredN
C#CC#CCl174284.502C4HCl1-chlorobuta-1,3-diyneN65C#CC#CClInChI=1S/C4HCl/c1-2-3-4-5/h1HInChIKey=ZKDGPGUPUPETAQ-UHFFFAOYSA-N85.8Ex 85.80(BP est) -9.45(MP est) ----(BP exp) ----(MP exp) C#CC#CCl -9.5PredN
ClCCl174684.927CH2Cl2dichloromethaneN53ClCClInChI=1S/CH2Cl2/c2-1-3/h1H2InChIKey=YMWUJEATGCHHMB-UHFFFAOYSA-N34.6Ex 80.42(BP est) -89.50(MP est) 40.00(BP exp) -95.10(MP exp) ClCCl -95.1ExptY(Kladi et al. 2004)
B(N)(CC)CC174784.957C4H12BNdiethylboranamineN186B(N)(CC)CCInChI=1S/C4H12BN/c1-3-5(6)4-2/h3-4,6H2,1-2H3InChIKey=YWNYNHHYXJOUIH-UHFFFAOYSA-N86.4Ex 86.42(BP est) -64.81(MP est) ----(BP exp) ----(MP exp) B(N)(CC)CC -64.8PredN
B(N(C)C)(C)C174884.957C4H12BNN,N,1,1-tetramethylboranamineN186B(N(C)C)(C)CInChI=1S/C4H12BN/c1-5(2)6(3)4/h1-4H3InChIKey=BUAGRGPXYOEKCF-UHFFFAOYSA-N64.6Ex 43.95(BP est) -102.61(MP est) 65.00(BP exp) -92.00(MP exp) B(N(C)C)(C)C -92ExptN
NC(F)(F)(F)175185.0292CH2F3NtrifluoromethanamineN75NC(F)(F)(F)InChI=1S/CH2F3N/c2-1(3,4)5/h5H2InChIKey=MYMLGBAVNHFRJS-UHFFFAOYSA-N-9.3Ex -9.26(BP est) -101.87(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(F) -101.9PredN
N#CCC(O)=O175285.062C3H3NO22-cyanoacetic acidN96N#CCC(O)=OInChI=1S/C3H3NO2/c4-2-1-3(5)6/h1H2,(H,5,6)InChIKey=MLIREBYILWEBDM-UHFFFAOYSA-N227.1Ex 227.09(BP est) 37.96(MP est) ----(BP exp) 66.00(MP exp) N#CCC(O)=O 66ExptN
N#CCOC=O175385.062C3H3NO2cyanomethyl formateN96N#CCOC=OInChI=1S/C3H3NO2/c4-1-2-6-3-5/h3H,2H2InChIKey=ZFLAEHBSVFWEHW-UHFFFAOYSA-N73.0Ex 72.97(BP est) -173.48(MP est) ----(BP exp) ----(MP exp) N#CCOC=O -173.5PredN
OC1=NOC=C1175485.062C3H3NO2isoxazol-3-olN96OC1=NOC=C1InChI=1S/C3H3NO2/c5-3-1-2-6-4-3/h1-2H,(H,4,5)InChIKey=FUOSTELFLYZQCW-UHFFFAOYSA-N142.4Ex 142.39(BP est) 23.19(MP est) ----(BP exp) ----(MP exp) OC1=NOC=C1 23.2PredN
OC1=CON=C1175585.062C3H3NO2isoxazol-4-olN96OC1=CON=C1InChI=1S/C3H3NO2/c5-3-1-4-6-2-3/h1-2,5HInChIKey=ABFBKQBATYREHU-UHFFFAOYSA-N142.4Ex 142.39(BP est) 23.19(MP est) ----(BP exp) ----(MP exp) OC1=CON=C1 23.2PredY(DNP 2017)
O=C(C#N)OC175685.062C3H3NO2methyl carbonocyanidateN96O=C(C#N)OCInChI=1S/C3H3NO2/c1-6-3(5)2-4/h1H3InChIKey=OBWFJXLKRAFEDI-UHFFFAOYSA-N100.0Ex 148.65(BP est) -34.57(MP est) ----(BP exp) ----(MP exp) O=C(C#N)OC -34.6PredN
OC1=NC=CO1175785.062C3H3NO2oxazol-2-olN96OC1=NC=CO1InChI=1S/C3H3NO2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)InChIKey=XYVMOLOUBJBNBF-UHFFFAOYSA-N142.4Ex 142.39(BP est) 23.19(MP est) ----(BP exp) ----(MP exp) OC1=NC=CO1 23.2PredN
OC1=COC=N1175885.062C3H3NO2oxazol-4-olN96OC1=COC=N1InChI=1S/C3H3NO2/c5-3-1-6-2-4-3/h1-2,5HInChIKey=YUYBPTVMZVBICH-UHFFFAOYSA-N142.4Ex 142.39(BP est) 23.19(MP est) ----(BP exp) ----(MP exp) OC1=COC=N1 23.2PredY(DNP 2017)
NC1=NOC=N1175985.066C2H3N3O1,2,4-oxadiazol-3-amineN96NC1=NOC=N1InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)InChIKey=XWESVPXIDGLPNX-UHFFFAOYSA-N167.2Ex 167.22(BP est) 18.29(MP est) ----(BP exp) ----(MP exp) NC1=NOC=N1 18.3PredN
NC1=NON=C1176085.066C2H3N3O1,2,5-oxadiazol-3-amineN96NC1=NON=C1InChI=1S/C2H3N3O/c3-2-1-4-6-5-2/h1H,(H2,3,5)InChIKey=AOYBLZGEIIBUTE-UHFFFAOYSA-N167.2Ex 167.22(BP est) 18.29(MP est) ----(BP exp) ----(MP exp) NC1=NON=C1 18.3PredN
NC1=NN=CO1176185.066C2H3N3O1,3,4-oxadiazol-2-amineN96NC1=NN=CO1InChI=1S/C2H3N3O/c3-2-5-4-1-6-2/h1H,(H2,3,5)InChIKey=APKZPKINPXTSNL-UHFFFAOYSA-N213.4Ex 213.36(BP est) 38.50(MP est) ----(BP exp) ----(MP exp) NC1=NN=CO1 38.5PredN
OC1=CN=NN1176285.066C2H3N3O1H-1,2,3-triazol-5-olN96OC1=CN=NN1InChI=1S/C2H3N3O/c6-2-1-3-5-4-2/h1H,(H2,3,4,5,6)InChIKey=QEASJVYPHMYPJM-UHFFFAOYSA-N246.7Ex 246.73(BP est) 68.43(MP est) ----(BP exp) ----(MP exp) OC1=CN=NN1 68.4PredN
OC1=NC=NN1176385.066C2H3N3O1H-1,2,4-triazol-5-olN96OC1=NC=NN1InChI=1S/C2H3N3O/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)InChIKey=LZTSCEYDCZBRCJ-UHFFFAOYSA-N246.7Ex 246.73(BP est) 68.43(MP est) ----(BP exp) ----(MP exp) OC1=NC=NN1 68.4PredN
NC1=NN=NN1176485.07CH3N51H-tetrazol-5-amineN96NC1=NN=NN1InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)InChIKey=ULRPISSMEBPJLN-UHFFFAOYSA-N266.2Ex 266.20(BP est) 88.04(MP est) ----(BP exp) ----(MP exp) NC1=NN=NN1 88PredN
N\1=N\N=N/C/1N176585.07CH3N55H-tetrazol-5-amineN96N\1=N\N=N/C/1NInChI=1S/CH3N5/c2-1-3-5-6-4-1/h1H,2H2InChIKey=AHVMTVOITOYUES-UHFFFAOYSA-N182.1Ex 182.08(BP est) 46.92(MP est) ----(BP exp) ----(MP exp) N\1=N\N=N/C/1N 46.9PredN
[N-]=[N+]=NC(=[N@H])N176685.07CH3N5carbamimidoyl azideN96[N-]=[N+]=NC(=[N@H])NInChI=1S/CH3N5/c2-1(3)5-6-4/h(H3,2,3)InChIKey=FRVOXOGJJXLSSY-UHFFFAOYSA-N393.7Ex 393.71(BP est) 162.95(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NC(=[N@H])N 163PredN
FC(C1=CN1)=C176785.0814C4H4FN2-(1-fluorovinyl)-1H-azirineN106FC(C1=CN1)=CInChI=1S/C4H4FN/c1-3(5)4-2-6-4/h2,6H,1H2InChIKey=XFJZCLGNQUNBQU-UHFFFAOYSA-N93.0Ex 92.97(BP est) -36.17(MP est) ----(BP exp) ----(MP exp) FC(C1=CN1)=C -36.2PredN
FC=CC1=CN1176885.0814C4H4FN2-(2-fluorovinyl)-1H-azirineN106FC=CC1=CN1InChI=1S/C4H4FN/c5-2-1-4-3-6-4/h1-3,6HInChIKey=ULWVRZVMZRKHNH-UHFFFAOYSA-N108.7Ex 108.70(BP est) -26.26(MP est) ----(BP exp) ----(MP exp) FC=CC1=CN1 -26.3PredN
FC#CC1CN1176985.0814C4H4FN2-(fluoroethynyl)aziridineN106FC#CC1CN1InChI=1S/C4H4FN/c5-2-1-4-3-6-4/h4,6H,3H2InChIKey=PWPLFFGLMNSAAT-UHFFFAOYSA-N110.6Ex 110.61(BP est) 21.13(MP est) ----(BP exp) ----(MP exp) FC#CC1CN1 21.1PredN
FC1(C#C)CN1177085.0814C4H4FN2-ethynyl-2-fluoroaziridineN106FC1(C#C)CN1InChI=1S/C4H4FN/c1-2-4(5)3-6-4/h1,6H,3H2InChIKey=LAQGIYRCNFQCNN-UHFFFAOYSA-N89.0Ex 88.96(BP est) -2.80(MP est) ----(BP exp) ----(MP exp) FC1(C#C)CN1 -2.8PredN
FC1C(C#C)N1177185.0814C4H4FN2-ethynyl-3-fluoroaziridineN106FC1C(C#C)N1InChI=1S/C4H4FN/c1-2-3-4(5)6-3/h1,3-4,6HInChIKey=WPVUITCJWLGCRO-UHFFFAOYSA-N94.8Ex 94.75(BP est) -15.18(MP est) ----(BP exp) ----(MP exp) FC1C(C#C)N1 -15.2PredN
FC(N1)=C1C=C177285.0814C4H4FN2-fluoro-3-vinyl-1H-azirineN106FC(N1)=C1C=CInChI=1S/C4H4FN/c1-2-3-4(5)6-3/h2,6H,1H2InChIKey=AIKGDVJCTOKKHS-UHFFFAOYSA-N97.5Ex 97.49(BP est) -21.61(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1C=C -21.6PredN
FC1CC2=C1N2177385.0814C4H4FN2-fluoro-5-azabicyclo[2.1.0]pent-1(4)-eneN106FC1CC2=C1N2InChI=1S/C4H4FN/c5-2-1-3-4(2)6-3/h2,6H,1H2InChIKey=RQOTVDKVSUXRNR-UHFFFAOYSA-N101.2Ex 101.18(BP est) -8.92(MP est) ----(BP exp) ----(MP exp) FC1CC2=C1N2 -8.9PredN
NCOCC#C178285.106C4H7NO(prop-2-yn-1-yloxy)methanamineN136NCOCC#CInChI=1S/C4H7NO/c1-2-3-6-4-5/h1H,3-5H2InChIKey=KAJVHNYGRLEJTJ-UHFFFAOYSA-N120.8Ex 120.83(BP est) -14.48(MP est) ----(BP exp) ----(MP exp) NCOCC#C -14.5PredN
C=CON1CC1178385.106C4H7NO1-(vinyloxy)aziridineN136C=CON1CC1InChI=1S/C4H7NO/c1-2-6-5-3-4-5/h2H,1,3-4H2InChIKey=PYSYAWONSRPHJA-UHFFFAOYSA-N86.2Ex 86.24(BP est) -43.41(MP est) ----(BP exp) ----(MP exp) C=CON1CC1 -43.4PredN
NCC(O)(C#C)178485.106C4H7NO1-aminobut-3-yn-2-olN136NCC(O)(C#C)InChI=1S/C4H7NO/c1-2-4(6)3-5/h1,4,6H,3,5H2InChIKey=XAWPLGYBQWZYRZ-UHFFFAOYSA-N160.8Ex 160.75(BP est) 8.96(MP est) ----(BP exp) ----(MP exp) NCC(O)(C#C) 9PredN
CCCN=C=O178585.106C4H7NO1-isocyanatopropaneN136CCCN=C=OInChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3InChIKey=OQURWGJAWSLGQG-UHFFFAOYSA-N83.2Ex 92.16(BP est) -51.60(MP est) 83.50(BP exp) ----(MP exp) CCCN=C=O -51.6PredN
[C-]#[N+]CCOC178685.106C4H7NO1-isocyano-2-methoxyethaneN136C#NCCOCInChI=1S/C4H7NO/c1-5-3-4-6-2/h3-4H2,2H3InChIKey=RXRQOZYTUCHGHK-UHFFFAOYSA-N23.1Ex 23.10(BP est) -105.58(MP est) ----(BP exp) ----(MP exp) C#NCCOC -105.6PredN
CON1CC=C1178785.106C4H7NO1-methoxy-1,2-dihydroazeteN136CON1CC=C1InChI=1S/C4H7NO/c1-6-5-3-2-4-5/h2-3H,4H2,1H3InChIKey=LKVFXWRBYSZPHE-UHFFFAOYSA-N93.5Ex 93.51(BP est) -41.79(MP est) ----(BP exp) ----(MP exp) CON1CC=C1 -41.8PredN
NC(OC)C#C178885.106C4H7NO1-methoxyprop-2-yn-1-amineN136NC(OC)C#CInChI=1S/C4H7NO/c1-3-4(5)6-2/h1,4H,5H2,2H3InChIKey=YADOFJJGTCDDOG-UHFFFAOYSA-N106.7Ex 106.67(BP est) -26.12(MP est) ----(BP exp) ----(MP exp) NC(OC)C#C -26.1PredN
O=C1CCN1C178985.106C4H7NO1-methylazetidin-2-oneN136O=C1CCN1CInChI=1S/C4H7NO/c1-5-3-2-4(5)6/h2-3H2,1H3InChIKey=QOEUNLQGZBSTBB-UHFFFAOYSA-N179.8Ex 179.75(BP est) 15.52(MP est) ----(BP exp) ----(MP exp) O=C1CCN1C 15.5PredN
ON1CCC=C1179085.106C4H7NO2,3-dihydro-1H-pyrrol-1-olN136ON1CCC=C1InChI=1S/C4H7NO/c6-5-3-1-2-4-5/h1,3,6H,2,4H2InChIKey=UTBXIKGTARXRTH-UHFFFAOYSA-N232.3Ex 232.34(BP est) 21.28(MP est) ----(BP exp) ----(MP exp) ON1CCC=C1 21.3PredN
NC(C#C)C(O)179185.106C4H7NO2-aminobut-3-yn-1-olN136NC(C#C)C(O)InChI=1S/C4H7NO/c1-2-4(5)3-6/h1,4,6H,3,5H2InChIKey=RSUWHQXXMTYZTI-UHFFFAOYSA-N167.7Ex 167.69(BP est) 10.99(MP est) ----(BP exp) ----(MP exp) NC(C#C)C(O) 11PredN
N#CCOCC179285.106C4H7NO2-ethoxyacetonitrileN136N#CCOCCInChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3InChIKey=WPYUCWSMVJJWFI-UHFFFAOYSA-N135.0Ex 143.83(BP est) -40.39(MP est) ----(BP exp) ----(MP exp) N#CCOCC -40.4PredN
CC(O)(C#N)C179385.106C4H7NO2-hydroxy-2-methylpropanenitrileN136CC(O)(C#N)CInChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3InChIKey=MWFMGBPGAXYFAR-UHFFFAOYSA-N157.7Ex 163.91(BP est) -14.02(MP est) 171.00(BP exp) -19.00(MP exp) CC(O)(C#N)C -19ExptY(Hahlbrock and Conn 1970)
N#CC(CC)O179485.106C4H7NO2-hydroxybutanenitrileN136N#CC(CC)OInChI=1S/C4H7NO/c1-2-4(6)3-5/h4,6H,2H2,1H3InChIKey=NHSSTOSZJANVEV-UHFFFAOYSA-N182.1Ex 182.12(BP est) -17.42(MP est) ----(BP exp) ----(MP exp) N#CC(CC)O -17.4PredN
CC(N=C=O)C179585.106C4H7NO2-isocyanatopropaneN136CC(N=C=O)CInChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3InChIKey=GSLTVFIVJMCNBH-UHFFFAOYSA-N74.0Ex 77.34(BP est) -63.43(MP est) 74.50(BP exp) ----(MP exp) CC(N=C=O)C -63.4PredY(Aly et al. 2013)
N#CC(C)OC179685.106C4H7NO2-methoxypropanenitrileN136N#CC(C)OCInChI=1S/C4H7NO/c1-4(3-5)6-2/h4H,1-2H3InChIKey=SFPQDYSOPQHZAQ-UHFFFAOYSA-N130.2Ex 130.22(BP est) -51.86(MP est) ----(BP exp) ----(MP exp) N#CC(C)OC -51.9PredN
CN1CC=CO1179785.106C4H7NO2-methyl-2,3-dihydroisoxazoleN136CN1CC=CO1InChI=1S/C4H7NO/c1-5-3-2-4-6-5/h2,4H,3H2,1H3InChIKey=SOWNNYHYNUIDHV-UHFFFAOYSA-N101.3Ex 101.30(BP est) -39.11(MP est) ----(BP exp) ----(MP exp) CN1CC=CO1 -39.1PredN
CN1C=CCO1179885.106C4H7NO2-methyl-2,5-dihydroisoxazoleN136CN1C=CCO1InChI=1S/C4H7NO/c1-5-3-2-4-6-5/h2-3H,4H2,1H3InChIKey=HPEDHHAIOCJJCS-UHFFFAOYSA-N101.3Ex 101.30(BP est) -39.11(MP est) ----(BP exp) ----(MP exp) CN1C=CCO1 -39.1PredN
CC1=NCCO1179985.106C4H7NO2-methyl-4,5-dihydrooxazoleN136CC1=NCCO1InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3InChIKey=GUXJXWKCUUWCLX-UHFFFAOYSA-N110.1Ex 110.47(BP est) -30.47(MP est) 111.00(BP exp) ----(MP exp) CC1=NCCO1 -30.5PredN
C=C1NCCO1180085.106C4H7NO2-methyleneoxazolidineN136C=C1NCCO1InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h5H,1-3H2InChIKey=FICAKXQKKXJDHL-UHFFFAOYSA-N126.3Ex 126.29(BP est) -8.91(MP est) ----(BP exp) ----(MP exp) C=C1NCCO1 -8.9PredN
C=CN1CCO1180185.106C4H7NO2-vinyl-1,2-oxazetidineN136C=CN1CCO1InChI=1S/C4H7NO/c1-2-5-3-4-6-5/h2H,1,3-4H2InChIKey=MWWHEVOQAXEYMB-UHFFFAOYSA-N94.1Ex 94.12(BP est) -40.70(MP est) ----(BP exp) ----(MP exp) C=CN1CCO1 -40.7PredN
N1CCC=CO1180285.106C4H7NO3,4-dihydro-2H-1,2-oxazineN136N1CCC=CO1InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h2,4-5H,1,3H2InChIKey=BOLMDIXLULGTBD-UHFFFAOYSA-N137.1Ex 137.05(BP est) -13.99(MP est) ----(BP exp) ----(MP exp) N1CCC=CO1 -14PredN
N1OCC=CC1180385.106C4H7NO3,6-dihydro-2H-1,2-oxazineN136N1OCC=CC1InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h1-2,5H,3-4H2InChIKey=DNUJVGBNIXGTHC-UHFFFAOYSA-N137.1Ex 137.05(BP est) -13.99(MP est) ----(BP exp) ----(MP exp) N1OCC=CC1 -14PredN
N/C=C(C=O)/C180485.106C4H7NO3-amino-2-methylacrylaldehydeN136N/C=C(C=O)/CInChI=1S/C4H7NO/c1-4(2-5)3-6/h2-3H,5H2,1H3InChIKey=OEZAAXHZEMTBOV-UHFFFAOYSA-N147.6Ex 147.63(BP est) -29.78(MP est) ----(BP exp) ----(MP exp) N/C=C(C=O)/C -29.8PredN
N/C(C)=C/C=O180585.106C4H7NO3-aminobut-2-enalN136N/C(C)=C/C=OInChI=1S/C4H7NO/c1-4(5)2-3-6/h2-3H,5H2,1H3InChIKey=JLIDPRFIBGNRGS-UHFFFAOYSA-N147.6Ex 147.63(BP est) -29.78(MP est) ----(BP exp) ----(MP exp) N/C(C)=C/C=O -29.8PredN
NC(C1)CC1=O180685.106C4H7NO3-aminocyclobutan-1-oneN136NC(C1)CC1=OInChI=1S/C4H7NO/c5-3-1-4(6)2-3/h3H,1-2,5H2InChIKey=MGCDDLHPXZDVOS-UHFFFAOYSA-N158.9Ex 158.86(BP est) 3.34(MP est) ----(BP exp) ----(MP exp) NC(C1)CC1=O 3.3PredN
N#CC(C)CO180785.106C4H7NO3-hydroxy-2-methylpropanenitrileN136N#CC(C)COInChI=1S/C4H7NO/c1-4(2-5)3-6/h4,6H,3H2,1H3InChIKey=COZQDNPLORIALF-UHFFFAOYSA-N188.8Ex 188.77(BP est) -15.47(MP est) ----(BP exp) ----(MP exp) N#CC(C)CO -15.5PredN
N#CC[C@](O)(C)[H]180885.106C4H7NO3-hydroxybutanenitrileN136N#CC[C@](O)(C)[H]InChI=1S/C4H7NO/c1-4(6)2-3-5/h4,6H,2H2,1H3InChIKey=BYJAJQGCMSBKPB-UHFFFAOYSA-N182.1Ex 182.12(BP est) -17.42(MP est) ----(BP exp) ----(MP exp) N#CC[C@](O)(C)[H] -17.4PredN
N#CCCOC180985.106C4H7NO3-methoxypropanenitrileN136N#CCCOCInChI=1S/C4H7NO/c1-6-4-2-3-5/h2,4H2,1H3InChIKey=OOWFYDWAMOKVSF-UHFFFAOYSA-N165.2Ex 143.83(BP est) -40.39(MP est) 163.00(BP exp) ----(MP exp) N#CCCOC -40.4PredY(Mazurkiewicz et al. 2010)
CC1CNC1=O181085.106C4H7NO3-methylazetidin-2-oneN136CC1CNC1=OInChI=1S/C4H7NO/c1-3-2-5-4(3)6/h3H,2H2,1H3,(H,5,6)InChIKey=XYAPRMQTKAOTJZ-UHFFFAOYSA-N229.4Ex 229.39(BP est) 43.18(MP est) ----(BP exp) ----(MP exp) CC1CNC1=O 43.2PredN
NCC#CCO181185.106C4H7NO4-aminobut-2-yn-1-olN136NCC#CCOInChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,3-5H2InChIKey=CETGYTZOZAIXBU-UHFFFAOYSA-N188.1Ex 188.08(BP est) 25.08(MP est) ----(BP exp) ----(MP exp) NCC#CCO 25.1PredN
N/C=C\C(C)=O181285.106C4H7NO4-aminobut-3-en-2-oneN136N/C=C\C(C)=OInChI=1S/C4H7NO/c1-4(6)2-3-5/h2-3H,5H2,1H3InChIKey=NGUGWHFIVAQVMN-UHFFFAOYSA-N140.7Ex 140.74(BP est) -20.85(MP est) ----(BP exp) ----(MP exp) N/C=C\C(C)=O -20.9PredN
N#CCCCO181385.106C4H7NO4-hydroxybutanenitrileN136N#CCCCOInChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2InChIKey=BAQQRABCRRQRSR-UHFFFAOYSA-N200.9Ex 200.91(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) N#CCCCO -4.4PredN
O=C1CC(C)N1181485.106C4H7NO4-methylazetidin-2-oneN136O=C1CC(C)N1InChI=1S/C4H7NO/c1-3-2-4(6)5-3/h3H,2H2,1H3,(H,5,6)InChIKey=XMSFNEZQRPOHAR-UHFFFAOYSA-N229.4Ex 229.39(BP est) 43.18(MP est) ----(BP exp) ----(MP exp) O=C1CC(C)N1 43.2PredN
N1C=CCCO1181585.106C4H7NO5,6-dihydro-2H-1,2-oxazineN136N1C=CCCO1InChI=1S/C4H7NO/c1-2-4-6-5-3-1/h1,3,5H,2,4H2InChIKey=UFTHEDBYLPFRDP-UHFFFAOYSA-N137.1Ex 137.05(BP est) -13.99(MP est) ----(BP exp) ----(MP exp) N1C=CCCO1 -14PredN
[H][C@@]1(C=O)NCC1181685.106C4H7NOazetidine-2-carbaldehydeN136[H][C@@]1(C=O)NCC1InChI=1S/C4H7NO/c6-3-4-1-2-5-4/h3-5H,1-2H2InChIKey=UURYMQZUWSZKPB-UHFFFAOYSA-N151.8Ex 151.77(BP est) -0.96(MP est) ----(BP exp) ----(MP exp) [H][C@@]1(C=O)NCC1 -1PredN
NC(/C=C/C)=O181785.106C4H7NObut-2-enamideN136NC(/C=C/C)=OInChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)InChIKey=NQQRXZOPZBKCNF-UHFFFAOYSA-N223.3Ex 223.27(BP est) 41.70(MP est) ----(BP exp) ----(MP exp) NC(/C=C/C)=O 41.7PredN
C=CCC(N)=O181885.106C4H7NObut-3-enamideN136C=CCC(N)=OInChI=1S/C4H7NO/c1-2-3-4(5)6/h2H,1,3H2,(H2,5,6)InChIKey=ABBZJHFBQXYTLU-UHFFFAOYSA-N216.0Ex 216.00(BP est) 33.10(MP est) ----(BP exp) ----(MP exp) C=CCC(N)=O 33.1PredY(Gu et al. 2013)
O=C(N)C1CC1181985.106C4H7NOcyclopropanecarboxamideN136O=C(N)C1CC1InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)InChIKey=AIMMVWOEOZMVMS-UHFFFAOYSA-N255.0Ex 220.67(BP est) 40.07(MP est) ----(BP exp) ----(MP exp) O=C(N)C1CC1 40.1PredN
C=C(C(N)=O)C182085.106C4H7NOmethacrylamideN136C=C(C(N)=O)CInChI=1S/C4H7NO/c1-3(2)4(5)6/h1H2,2H3,(H2,5,6)InChIKey=FQPSGWSUVKBHSU-UHFFFAOYSA-N215.0Ex 210.73(BP est) 33.28(MP est) ----(BP exp) 109.00(MP exp) C=C(C(N)=O)C 109ExptN
C=CN(O)C=C182185.106C4H7NON,N-divinylhydroxylamineN136C=CN(O)C=CInChI=1S/C4H7NO/c1-3-5(6)4-2/h3-4,6H,1-2H2InChIKey=PBYZJTIVJJRZNG-UHFFFAOYSA-N216.7Ex 216.73(BP est) 5.25(MP est) ----(BP exp) ----(MP exp) C=CN(O)C=C 5.3PredN
C=CNOC=C182285.106C4H7NON,O-divinylhydroxylamineN136C=CNOC=CInChI=1S/C4H7NO/c1-3-5-6-4-2/h3-5H,1-2H2InChIKey=HMWZTSZAAJWGLB-UHFFFAOYSA-N90.3Ex 90.30(BP est) -63.94(MP est) ----(BP exp) ----(MP exp) C=CNOC=C -63.9PredN
C=CCNC=O182385.106C4H7NON-allylformamideN136C=CCNC=OInChI=1S/C4H7NO/c1-2-3-5-4-6/h2,4H,1,3H2,(H,5,6)InChIKey=SHIGCAOWAAOWIG-UHFFFAOYSA-N211.8Ex 211.78(BP est) 30.00(MP est) ----(BP exp) ----(MP exp) C=CCNC=O 30PredN
O=CNC1CC1182485.106C4H7NON-cyclopropylformamideN136O=CNC1CC1InChI=1S/C4H7NO/c6-3-5-4-1-2-4/h3-4H,1-2H2,(H,5,6)InChIKey=AWQVKAURKXXOCG-UHFFFAOYSA-N216.5Ex 216.50(BP est) 36.99(MP est) ----(BP exp) ----(MP exp) O=CNC1CC1 37PredN
O=NC1CCC1182885.106C4H7NOnitrosocyclobutaneN136O=NC1CCC1InChI=1S/C4H7NO/c6-5-4-2-1-3-4/h4H,1-3H2InChIKey=ZWLFFOCJYRCPMR-UHFFFAOYSA-N62.2Ex 62.21(BP est) -44.93(MP est) ----(BP exp) ----(MP exp) O=NC1CCC1 -44.9PredN
CNC(C=C)=O182985.106C4H7NON-methylacrylamideN136CNC(C=C)=OInChI=1S/C4H7NO/c1-3-4(6)5-2/h3H,1H2,2H3,(H,5,6)InChIKey=YPHQUSNPXDGUHL-UHFFFAOYSA-N210.0Ex 209.99(BP est) 30.52(MP est) ----(BP exp) ----(MP exp) CNC(C=C)=O 30.5PredN
CN(O)CC#C183085.106C4H7NON-methyl-N-(prop-2-yn-1-yl)hydroxylamineN136CN(O)CC#CInChI=1S/C4H7NO/c1-3-4-5(2)6/h1,6H,4H2,2H3InChIKey=RDKOYRGCDNNGNS-UHFFFAOYSA-N226.2Ex 226.19(BP est) 33.26(MP est) ----(BP exp) ----(MP exp) CN(O)CC#C 33.3PredN
CNOCC#C183185.106C4H7NON-methyl-O-(prop-2-yn-1-yl)hydroxylamineN136CNOCC#CInChI=1S/C4H7NO/c1-3-4-6-5-2/h1,5H,4H2,2H3InChIKey=RVYJACMPYRNBBC-UHFFFAOYSA-N102.4Ex 102.39(BP est) -35.17(MP est) ----(BP exp) ----(MP exp) CNOCC#C -35.2PredN
O=C(C)NC=C183285.106C4H7NON-vinylacetamideN136O=C(C)NC=CInChI=1S/C4H7NO/c1-3-5-4(2)6/h3H,1H2,2H3,(H,5,6)InChIKey=RQAKESSLMFZVMC-UHFFFAOYSA-N210.0Ex 209.99(BP est) 30.52(MP est) ----(BP exp) ----(MP exp) O=C(C)NC=C 30.5PredN
C#CCNOC183585.106C4H7NOO-methyl-N-(prop-2-yn-1-yl)hydroxylamineN136C#CCNOCInChI=1S/C4H7NO/c1-3-4-5-6-2/h1,5H,4H2,2H3InChIKey=ZASMLRQHNBWZRU-UHFFFAOYSA-N102.4Ex 102.39(BP est) -35.17(MP est) ----(BP exp) ----(MP exp) C#CCNOC -35.2PredN
O=C1NCCC1183685.106C4H7NOpyrrolidin-2-oneN136O=C1NCCC1InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)InChIKey=HNJBEVLQSNELDL-UHFFFAOYSA-N249.2Ex 236.40(BP est) 46.42(MP est) 245.00(BP exp) 23.00(MP exp) O=C1NCCC1 23ExptY(DNP 2017)
O=C1CCNC1183785.106C4H7NOpyrrolidin-3-oneN136O=C1CCNC1InChI=1S/C4H7NO/c6-4-1-2-5-3-4/h5H,1-3H2InChIKey=QGKLPGKXAVVPOJ-UHFFFAOYSA-N166.2Ex 166.24(BP est) 16.74(MP est) ----(BP exp) ----(MP exp) O=C1CCNC1 16.7PredN
[N-]=[N+]=NCCC183885.11C3H7N31-azidopropaneN136[N-]=[N+]=NCCCInChI=1S/C3H7N3/c1-2-3-5-6-4/h2-3H2,1H3InChIKey=TVPPZASKIXGUJQ-UHFFFAOYSA-N81.5Ex 351.29(BP est) 128.30(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NCCC 128.3PredN
NC(C#N)CN183985.11C3H7N32,3-diaminopropanenitrileN136NC(C#N)CNInChI=1S/C3H7N3/c4-1-3(6)2-5/h3H,1,4,6H2InChIKey=AHHLOPQSUMHMJL-UHFFFAOYSA-N200.0Ex 200.02(BP est) 24.39(MP est) ----(BP exp) ----(MP exp) NC(C#N)CN 24.4PredN
NC1=CCNN1184085.11C3H7N32,5-dihydro-1H-pyrazol-3-amineN136NC1=CCNN1InChI=1S/C3H7N3/c4-3-1-2-5-6-3/h1,5-6H,2,4H2InChIKey=CWZRXXJJOCTIJA-UHFFFAOYSA-N197.1Ex 197.09(BP est) 44.10(MP est) ----(BP exp) ----(MP exp) NC1=CCNN1 44.1PredN
[N-]=[N+]=NC(C)C184185.11C3H7N32-azidopropaneN136[N-]=[N+]=NC(C)CInChI=1S/C3H7N3/c1-3(2)5-6-4/h3H,1-2H3InChIKey=OZLTWYYNOLDSIP-UHFFFAOYSA-N68.3Ex 344.23(BP est) 122.01(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NC(C)C 122PredN
NNCCC#N184285.11C3H7N33-hydrazineylpropanenitrileN136NNCCC#NInChI=1S/C3H7N3/c4-2-1-3-6-5/h6H,1,3,5H2InChIKey=VIHRIIARIFUQLC-UHFFFAOYSA-N196.4Ex 196.44(BP est) 26.18(MP est) ----(BP exp) ----(MP exp) NNCCC#N 26.2PredN
NC1=NCCN1184385.11C3H7N34,5-dihydro-1H-imidazol-2-amineN136NC1=NCCN1InChI=1S/C3H7N3/c4-3-5-1-2-6-3/h1-2H2,(H3,4,5,6)InChIKey=DISXFZWKRTZTRI-UHFFFAOYSA-N284.3Ex 284.30(BP est) 73.92(MP est) ----(BP exp) ----(MP exp) NC1=NCCN1 73.9PredN
N#CC(S)=C184485.124C3H3NS2-mercaptoacrylonitrileN85N#CC(S)=CInChI=1S/C3H3NS/c1-3(5)2-4/h5H,1H2InChIKey=CYWMCIMLXUXIDK-UHFFFAOYSA-N167.4Ex 167.40(BP est) -39.89(MP est) ----(BP exp) ----(MP exp) N#CC(S)=C -39.9PredN
N#C\C=C\S184585.124C3H3NS3-mercaptoacrylonitrileN85N#C\C=C\SInChI=1S/C3H3NS/c4-2-1-3-5/h1,3,5HInChIKey=DGWPLIZUEKSHJU-UHFFFAOYSA-N181.2Ex 181.20(BP est) -30.54(MP est) ----(BP exp) ----(MP exp) N#C\C=C\S -30.5PredN
S1N=CC=C1184685.124C3H3NSisothiazoleN85S1N=CC=C1InChI=1S/C3H3NS/c1-2-4-5-3-1/h1-3HInChIKey=ZLTPDFXIESTBQG-UHFFFAOYSA-N113.1Ex 124.84(BP est) -12.35(MP est) ----(BP exp) ----(MP exp) S1N=CC=C1 -12.4PredN
S=C=NC=C184785.124C3H3NSisothiocyanatoetheneN85S=C=NC=CInChI=1S/C3H3NS/c1-2-4-3-5/h2H,1H2InChIKey=VJCLZQUHGQSTMZ-UHFFFAOYSA-N112.8Ex 112.75(BP est) -52.04(MP est) ----(BP exp) ----(MP exp) S=C=NC=C -52PredN
S1C=NC=C1184885.124C3H3NSthiazoleN85S1C=NC=C1InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3HInChIKey=FZWLAAWBMGSTSO-UHFFFAOYSA-N117.0Ex 124.84(BP est) -12.35(MP est) 118.00(BP exp) ----(MP exp) S1C=NC=C1 -12.4PredY(Swiegers and Pretorius 2005, Wishart et al. 2013, de Lacy Costello et al. 2014)
N#CSC=C184985.124C3H3NSthiocyanatoetheneN85N#CSC=CInChI=1S/C3H3NS/c1-2-5-3-4/h2H,1H2InChIKey=BXHCLJWJMGLSGM-UHFFFAOYSA-N120.0Ex 160.37(BP est) -35.99(MP est) ----(BP exp) ----(MP exp) N#CSC=C -36PredN
NCC1(CC1)C185085.15C5H11N(1-methylcyclopropyl)methanamineN176NCC1(CC1)CInChI=1S/C5H11N/c1-5(4-6)2-3-5/h2-4,6H2,1H3InChIKey=NIJMHZCHTZXLJX-UHFFFAOYSA-N95.6Ex 103.22(BP est) -27.67(MP est) ----(BP exp) ----(MP exp) NCC1(CC1)C -27.7PredN
NCC1C(C)C1185185.15C5H11N(2-methylcyclopropyl)methanamineN176NCC1C(C)C1InChI=1S/C5H11N/c1-4-2-5(4)3-6/h4-5H,2-3,6H2,1H3InChIKey=BRWRRWXQMCPPRZ-UHFFFAOYSA-N108.9Ex 108.88(BP est) -40.09(MP est) ----(BP exp) ----(MP exp) NCC1C(C)C1 -40.1PredN
NC(C1CC1)C185285.15C5H11N1-cyclopropylethan-1-amineN176NC(C1CC1)CInChI=1S/C5H11N/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3InChIKey=IXCXVGWKYIDNOS-UHFFFAOYSA-N101.4Ex 101.42(BP est) -47.65(MP est) ----(BP exp) ----(MP exp) NC(C1CC1)C -47.7PredN
CNCC1CC1185385.15C5H11N1-cyclopropyl-N-methylmethanamineN176CNCC1CC1InChI=1S/C5H11N/c1-6-4-5-2-3-5/h5-6H,2-4H2,1H3InChIKey=BFPMCZWKUSUMKE-UHFFFAOYSA-N95.0Ex 97.11(BP est) -56.70(MP est) ----(BP exp) ----(MP exp) CNCC1CC1 -56.7PredN
NC1(CC)CC1185485.15C5H11N1-ethylcyclopropan-1-amineN176NC1(CC)CC1InChI=1S/C5H11N/c1-2-5(6)3-4-5/h2-4,6H2,1H3InChIKey=RTHXBEOKSSCNNT-UHFFFAOYSA-N103.2Ex 103.22(BP est) -27.67(MP est) ----(BP exp) ----(MP exp) NC1(CC)CC1 -27.7PredN
NC1(CCC1)C185585.15C5H11N1-methylcyclobutan-1-amineN176NC1(CCC1)CInChI=1S/C5H11N/c1-5(6)3-2-4-5/h2-4,6H2,1H3InChIKey=ZAXBVBGWLMVNJN-UHFFFAOYSA-N84.4Ex 105.41(BP est) -28.79(MP est) ----(BP exp) ----(MP exp) NC1(CCC1)C -28.8PredN
CN1CCCC1185685.15C5H11N1-methylpyrrolidineN176CN1CCCC1InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3InChIKey=AVFZOVWCLRSYKC-UHFFFAOYSA-N79.4Ex 91.60(BP est) -49.97(MP est) 81.00(BP exp) ----(MP exp) CN1CCCC1 -50PredY(DNP 2017)
CC1C(C)(C)N1185785.15C5H11N2,2,3-trimethylaziridineN176CC1C(C)(C)N1InChI=1S/C5H11N/c1-4-5(2,3)6-4/h4,6H,1-3H3InChIKey=AMDSLFHCCDFCGU-UHFFFAOYSA-N81.5Ex 95.32(BP est) -21.21(MP est) ----(BP exp) ----(MP exp) CC1C(C)(C)N1 -21.2PredN
CC1(C)NCC1185885.15C5H11N2,2-dimethylazetidineN176CC1(C)NCC1InChI=1S/C5H11N/c1-5(2)3-4-6-5/h6H,3-4H2,1-2H3InChIKey=KTHMOBNDGBTCLB-UHFFFAOYSA-N104.5Ex 104.49(BP est) -18.18(MP est) ----(BP exp) ----(MP exp) CC1(C)NCC1 -18.2PredN
NC1C(C)(C)C1185985.15C5H11N2,2-dimethylcyclopropan-1-amineN176NC1C(C)(C)C1InChI=1S/C5H11N/c1-5(2)3-4(5)6/h4H,3,6H2,1-2H3InChIKey=IVYCMLREPMLLEO-UHFFFAOYSA-N85.5Ex 96.26(BP est) -31.82(MP est) ----(BP exp) ----(MP exp) NC1C(C)(C)C1 -31.8PredN
CC1NCC1C186085.15C5H11N2,3-dimethylazetidineN176CC1NCC1CInChI=1S/C5H11N/c1-4-3-6-5(4)2/h4-6H,3H2,1-2H3InChIKey=BMVHDBKYVGUEIX-UHFFFAOYSA-N110.1Ex 110.13(BP est) -30.60(MP est) ----(BP exp) ----(MP exp) CC1NCC1C -30.6PredN
CC1CC(C)N1186185.15C5H11N2,4-dimethylazetidineN176CC1CC(C)N1InChI=1S/C5H11N/c1-4-3-5(2)6-4/h4-6H,3H2,1-2H3InChIKey=YPIDADKMTAZBST-UHFFFAOYSA-N110.1Ex 110.13(BP est) -30.60(MP est) ----(BP exp) ----(MP exp) CC1CC(C)N1 -30.6PredN
NCCC1CC1186285.15C5H11N2-cyclopropylethan-1-amineN176NCCC1CC1InChI=1S/C5H11N/c6-4-3-5-1-2-5/h5H,1-4,6H2InChIKey=ZOGZOXRETBBBJI-UHFFFAOYSA-N115.7Ex 115.71(BP est) -35.97(MP est) ----(BP exp) ----(MP exp) NCCC1CC1 -36PredN
CC1(CC)CN1186385.15C5H11N2-ethyl-2-methylaziridineN176CC1(CC)CN1InChI=1S/C5H11N/c1-3-5(2)4-6-5/h6H,3-4H2,1-2H3InChIKey=DULZVFFGUXLRSB-UHFFFAOYSA-N102.3Ex 102.29(BP est) -17.06(MP est) ----(BP exp) ----(MP exp) CC1(CC)CN1 -17.1PredN
CC1C(CC)N1186485.15C5H11N2-ethyl-3-methylaziridineN176CC1C(CC)N1InChI=1S/C5H11N/c1-3-5-4(2)6-5/h4-6H,3H2,1-2H3InChIKey=FVIWGIYGBZLZSG-UHFFFAOYSA-N108.0Ex 107.96(BP est) -29.47(MP est) ----(BP exp) ----(MP exp) CC1C(CC)N1 -29.5PredN
CCC1NCC1186585.15C5H11N2-ethylazetidineN176CCC1NCC1InChI=1S/C5H11N/c1-2-5-3-4-6-5/h5-6H,2-4H2,1H3InChIKey=NZZNMDNKJVUJAL-UHFFFAOYSA-N117.0Ex 116.95(BP est) -26.49(MP est) ----(BP exp) ----(MP exp) CCC1NCC1 -26.5PredN
NC1C(CC)C1186685.15C5H11N2-ethylcyclopropan-1-amineN176NC1C(CC)C1InChI=1S/C5H11N/c1-2-4-3-5(4)6/h4-5H,2-3,6H2,1H3InChIKey=GAZWKJNMLLGPKV-UHFFFAOYSA-N108.9Ex 108.88(BP est) -40.09(MP est) ----(BP exp) ----(MP exp) NC1C(CC)C1 -40.1PredN
NCC(C=C)C186785.15C5H11N2-methylbut-3-en-1-amineN176NCC(C=C)CInChI=1S/C5H11N/c1-3-5(2)4-6/h3,5H,1,4,6H2,2H3InChIKey=KNDRWHMOJREVPO-UHFFFAOYSA-N93.0Ex 95.53(BP est) -59.22(MP est) ----(BP exp) ----(MP exp) NCC(C=C)C -59.2PredN
NC(C)(C=C)C186885.15C5H11N2-methylbut-3-en-2-amineN176NC(C)(C=C)CInChI=1S/C5H11N/c1-4-5(2,3)6/h4H,1,6H2,2-3H3InChIKey=RBRPAKDHMRWACJ-UHFFFAOYSA-N85.9Ex 85.87(BP est) -53.33(MP est) ----(BP exp) ----(MP exp) NC(C)(C=C)C -53.3PredN
NC1CCC1C186985.15C5H11N2-methylcyclobutan-1-amineN176NC1CCC1CInChI=1S/C5H11N/c1-4-2-3-5(4)6/h4-5H,2-3,6H2,1H3InChIKey=YYMQZXMSPLVJJN-UHFFFAOYSA-N111.1Ex 111.05(BP est) -41.21(MP est) ----(BP exp) ----(MP exp) NC1CCC1C -41.2PredN
CC1NCCC1187085.15C5H11N2-methylpyrrolidineN176CC1NCCC1InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3InChIKey=RGHPCLZJAFCTIK-UHFFFAOYSA-N96.8Ex 119.09(BP est) -27.62(MP est) ----(BP exp) ----(MP exp) CC1NCCC1 -27.6PredN
CCCC1CN1187185.15C5H11N2-propylaziridineN176CCCC1CN1InChI=1S/C5H11N/c1-2-3-5-4-6-5/h5-6H,2-4H2,1H3InChIKey=HEUSUILDTYLSGB-UHFFFAOYSA-N114.8Ex 114.80(BP est) -25.35(MP est) ----(BP exp) ----(MP exp) CCCC1CN1 -25.4PredN
CC1(C)CNC1187285.15C5H11N3,3-dimethylazetidineN176CC1(C)CNC1InChI=1S/C5H11N/c1-5(2)3-6-4-5/h6H,3-4H2,1-2H3InChIKey=RLVVIGIYIMDCAU-UHFFFAOYSA-N91.0Ex 104.49(BP est) -18.18(MP est) ----(BP exp) ----(MP exp) CC1(C)CNC1 -18.2PredN
CCC1CNC1187385.15C5H11N3-ethylazetidineN176CCC1CNC1InChI=1S/C5H11N/c1-2-5-3-6-4-5/h5-6H,2-4H2,1H3InChIKey=YEJFTVJRCUPIOV-UHFFFAOYSA-N117.0Ex 116.95(BP est) -26.49(MP est) ----(BP exp) ----(MP exp) CCC1CNC1 -26.5PredN
NC1CC(C)C1187485.15C5H11N3-methylcyclobutan-1-amineN176NC1CC(C)C1InChI=1S/C5H11N/c1-4-2-5(6)3-4/h4-5H,2-3,6H2,1H3InChIKey=GNHDRVDLNQEOPA-UHFFFAOYSA-N111.1Ex 111.05(BP est) -41.21(MP est) ----(BP exp) ----(MP exp) NC1CC(C)C1 -41.2PredN
CC1CNCC1187585.15C5H11N3-methylpyrrolidineN176CC1CNCC1InChI=1S/C5H11N/c1-5-2-3-6-4-5/h5-6H,2-4H2,1H3InChIKey=KYINPWAJIVTFBW-UHFFFAOYSA-N96.9Ex 119.09(BP est) -27.62(MP est) ----(BP exp) ----(MP exp) CC1CNCC1 -27.6PredN
NCC1CCC1187685.15C5H11NcyclobutylmethanamineN176NCC1CCC1InChI=1S/C5H11N/c6-4-5-2-1-3-5/h5H,1-4,6H2InChIKey=LQNHRNOPWKZUSN-UHFFFAOYSA-N117.9Ex 117.85(BP est) -37.11(MP est) ----(BP exp) ----(MP exp) NCC1CCC1 -37.1PredN
NC1CCCC1187785.15C5H11NcyclopentanamineN176NC1CCCC1InChI=1S/C5H11N/c6-5-3-1-2-4-5/h5H,1-4,6H2InChIKey=NISGSNTVMOOSJQ-UHFFFAOYSA-N107.3Ex 119.99(BP est) -38.24(MP est) 108.00(BP exp) -82.70(MP exp) NC1CCCC1 -82.7ExptN
CNC1(CC1)C187885.15C5H11NN,1-dimethylcyclopropan-1-amineN176CNC1(CC1)CInChI=1S/C5H11N/c1-5(6-2)3-4-5/h6H,3-4H2,1-2H3InChIKey=KYTQSTIMXRWCDS-UHFFFAOYSA-N84.3Ex 84.25(BP est) -48.51(MP est) ----(BP exp) ----(MP exp) CNC1(CC1)C -48.5PredN
C=C(C)CNC187985.15C5H11NN,2-dimethylprop-2-en-1-amineN176C=C(C)CNCInChI=1S/C5H11N/c1-5(2)4-6-3/h6H,1,4H2,2-3H3InChIKey=NOBVTKCADZWKHR-UHFFFAOYSA-N84.5Ex 84.50(BP est) -77.22(MP est) ----(BP exp) ----(MP exp) C=C(C)CNC -77.2PredN
CN(C1CC1)C188085.15C5H11NN,N-dimethylcyclopropanamineN176CN(C1CC1)CInChI=1S/C5H11N/c1-6(2)5-3-4-5/h5H,3-4H2,1-2H3InChIKey=DYVUNUQDYHPXSU-UHFFFAOYSA-N75.1Ex 75.09(BP est) -73.23(MP est) ----(BP exp) ----(MP exp) CN(C1CC1)C -73.2PredN
CN(CC=C)C188185.15C5H11NN,N-dimethylprop-2-en-1-amineN176CN(CC=C)CInChI=1S/C5H11N/c1-4-5-6(2)3/h4H,1,5H2,2-3H3InChIKey=GBCKRQRXNXQQPW-UHFFFAOYSA-N63.7Ex 68.95(BP est) -84.87(MP est) ----(BP exp) ----(MP exp) CN(CC=C)C -84.9PredN
CCNC1CC1188285.15C5H11NN-ethylcyclopropanamineN176CCNC1CC1InChI=1S/C5H11N/c1-2-6-5-3-4-5/h5-6H,2-4H2,1H3InChIKey=ULEZWUGQDAQWPT-UHFFFAOYSA-N97.1Ex 97.11(BP est) -56.70(MP est) ----(BP exp) ----(MP exp) CCNC1CC1 -56.7PredN
CCNCC=C188385.15C5H11NN-ethylprop-2-en-1-amineN176CCNCC=CInChI=1S/C5H11N/c1-3-5-6-4-2/h3,6H,1,4-5H2,2H3InChIKey=PUUULGNNRPBVBA-UHFFFAOYSA-N85.0Ex 91.18(BP est) -68.29(MP est) ----(BP exp) ----(MP exp) CCNCC=C -68.3PredN
CNCCC=C188485.15C5H11NN-methylbut-3-en-1-amineN176CNCCC=CInChI=1S/C5H11N/c1-3-4-5-6-2/h3,6H,1,4-5H2,2H3InChIKey=QKWULNOMHKBBLA-UHFFFAOYSA-N87.0Ex 91.18(BP est) -68.29(MP est) ----(BP exp) ----(MP exp) CNCCC=C -68.3PredN
CNC(C=C)C188585.15C5H11NN-methylbut-3-en-2-amineN176CNC(C=C)CInChI=1S/C5H11N/c1-4-5(2)6-3/h4-6H,1H2,2-3H3InChIKey=PMGNVDPARHYFIN-UHFFFAOYSA-N76.3Ex 76.33(BP est) -80.12(MP est) ----(BP exp) ----(MP exp) CNC(C=C)C -80.1PredN
CNC1CCC1188685.15C5H11NN-methylcyclobutanamineN176CNC1CCC1InChI=1S/C5H11N/c1-6-5-3-2-4-5/h5-6H,2-4H2,1H3InChIKey=JSIGUUUNVYUWQT-UHFFFAOYSA-N99.3Ex 99.32(BP est) -57.82(MP est) ----(BP exp) ----(MP exp) CNC1CCC1 -57.8PredN
NC(C=C)CC188785.15C5H11Npent-1-en-3-amineN176NC(C=C)CCInChI=1S/C5H11N/c1-3-5(6)4-2/h3,5H,1,4,6H2,2H3InChIKey=QQNANNQWXIBBTR-UHFFFAOYSA-N95.5Ex 95.53(BP est) -59.22(MP est) ----(BP exp) ----(MP exp) NC(C=C)CC -59.2PredN
NCC/C=C/C188885.15C5H11Npent-3-en-1-amineN176NCC/C=C/CInChI=1S/C5H11N/c1-2-3-4-5-6/h2-3H,4-6H2,1H3InChIKey=VWJYDONMXDIHNY-UHFFFAOYSA-N118.9Ex 118.93(BP est) -46.54(MP est) ----(BP exp) ----(MP exp) NCC/C=C/C -46.5PredN
NC(/C=C/C)C188985.15C5H11Npent-3-en-2-amineN176NC(/C=C/C)CInChI=1S/C5H11N/c1-3-4-5(2)6/h3-5H,6H2,1-2H3InChIKey=RJGNESAPBYJKKF-UHFFFAOYSA-N100.0Ex 104.72(BP est) -58.19(MP est) ----(BP exp) ----(MP exp) NC(/C=C/C)C -58.2PredN
NCCCC=C189085.15C5H11Npent-4-en-1-amineN176NCCCC=CInChI=1S/C5H11N/c1-2-3-4-5-6/h2H,1,3-6H2InChIKey=UVBBCQLPTZEDHT-UHFFFAOYSA-N105.0Ex 109.95(BP est) -47.51(MP est) ----(BP exp) ----(MP exp) NCCCC=C -47.5PredN
NC(CC=C)C189185.15C5H11Npent-4-en-2-amineN176NC(CC=C)CInChI=1S/C5H11N/c1-3-4-5(2)6/h3,5H,1,4,6H2,2H3InChIKey=BPIDLOWRIYHHBQ-UHFFFAOYSA-N95.5Ex 95.53(BP est) -59.22(MP est) ----(BP exp) ----(MP exp) NC(CC=C)C -59.2PredN
C1CCCCN1189285.15C5H11NpiperidineN176C1CCCCN1InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2InChIKey=NQRYJNQNLNOLGT-UHFFFAOYSA-N106.1Ex 127.91(BP est) -24.69(MP est) 106.00(BP exp) -7.00(MP exp) C1CCCCN1 -7ExptY(Fox and Wallace. 1997, Irwin et al. 2012, DNP 2017)
OB(CC)CC189685.941C4H11BOdiethyl(hydroxy)boraneN176OB(CC)CCInChI=1S/C4H11BO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3InChIKey=ADEAZBLSUNLCQN-UHFFFAOYSA-N129.8Ex 129.77(BP est) -63.38(MP est) ----(BP exp) ----(MP exp) OB(CC)CC -63.4PredN
OC(F)(F)(F)189786.0132CHF3OtrifluoromethanolN65OC(F)(F)(F)InChI=1S/CHF3O/c2-1(3,4)5/h5HInChIKey=WZCZNEGTXVXAAS-UHFFFAOYSA-N-20.0Ex -0.87(BP est) -110.64(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(F) -110.6PredN
O=PCC#C189886.0298C3H3OPoxo(prop-2-yn-1-yl)phosphaneN85O=PCC#CInChI=1S/C3H3OP/c1-2-3-5-4/h1H,3H2InChIKey=YNMIRJFMFIBMBL-UHFFFAOYSA-N116.9Ex 116.86(BP est) -40.84(MP est) ----(BP exp) ----(MP exp) O=PCC#C -40.8PredN
C1=NPC=N1189986.0338C2H3N2P2H-1,4,2-diazaphospholeN85C1=NPC=N1InChI=1S/C2H3N2P/c1-3-2-5-4-1/h1-2,5HInChIKey=KFUCADOYNAEFEA-UHFFFAOYSA-N114.5Ex 114.47(BP est) -14.71(MP est) ----(BP exp) ----(MP exp) C1=NPC=N1 -14.7PredN
C(F)#C(C#CF)190086.0408C4F21,4-difluorobuta-1,3-diyneN66C(F)#C(C#CF)InChI=1S/C4F2/c5-3-1-2-4-6InChIKey=XOQUBARPWKCNSI-UHFFFAOYSA-N62.6Ex 62.55(BP est) -1.04(MP est) ----(BP exp) ----(MP exp) C(F)#C(C#CF) -1PredN
O=C1OC=CO1190186.046C3H2O31,3-dioxol-2-oneN86O=C1OC=CO1InChI=1S/C3H2O3/c4-3-5-1-2-6-3/h1-2HInChIKey=VAYTZRYEBVHVLE-UHFFFAOYSA-N288.8Ex 288.75(BP est) 13.87(MP est) ----(BP exp) ----(MP exp) O=C1OC=CO1 13.9PredN
O=C1C(/O)=C1/O190286.046C3H2O32,3-dihydroxycycloprop-2-en-1-oneN86O=C1C(/O)=C1/OInChI=1S/C3H2O3/c4-1-2(5)3(1)6/h4-5HInChIKey=SPXGBDTUWODGLI-UHFFFAOYSA-N264.0Ex 263.97(BP est) 56.40(MP est) ----(BP exp) ----(MP exp) O=C1C(/O)=C1/O 56.4PredN
O=CC(=O)C=O190386.046C3H2O32-oxomalonaldehydeN86O=CC(=O)C=OInChI=1S/C3H2O3/c4-1-3(6)2-5/h1-2HInChIKey=ICQNCHSXWNQIHC-UHFFFAOYSA-N165.1Ex 165.10(BP est) -16.46(MP est) ----(BP exp) ----(MP exp) O=CC(=O)C=O -16.5PredN
O=C1OC(=O)C1190486.046C3H2O3oxetane-2,4-dioneN86O=C1OC(=O)C1InChI=1S/C3H2O3/c4-2-1-3(5)6-2/h1H2InChIKey=KKHUSADXXDNRPW-UHFFFAOYSA-N129.1Ex 129.07(BP est) -63.80(MP est) ----(BP exp) ----(MP exp) O=C1OC(=O)C1 -63.8PredN
OC1=NN=CO1190586.05C2H2N2O21,3,4-oxadiazol-2-olN86OC1=NN=CO1InChI=1S/C2H2N2O2/c5-2-4-3-1-6-2/h1H,(H,4,5)InChIKey=WTSXVIMLKCKWIW-UHFFFAOYSA-N200.3Ex 200.30(BP est) 36.76(MP est) ----(BP exp) ----(MP exp) OC1=NN=CO1 36.8PredN
O=C1/N=N\NN1190686.054CH2N4O1,2-dihydro-5H-tetrazol-5-oneN86O=C1/N=N\NN1InChI=1S/CH2N4O/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)InChIKey=JXBKZAYVMSNKHA-UHFFFAOYSA-N303.0Ex 303.00(BP est) 102.46(MP est) ----(BP exp) ----(MP exp) O=C1/N=N\NN1 102.5PredN
ON1N=NN=C1190786.054CH2N4O1H-tetrazol-1-olN86ON1N=NN=C1InChI=1S/CH2N4O/c6-5-1-2-3-4-5/h1,6HInChIKey=BSNCOPOPGMQUNL-UHFFFAOYSA-N182.7Ex 182.70(BP est) 48.24(MP est) ----(BP exp) ----(MP exp) ON1N=NN=C1 48.2PredN
ON1N=CN=N1190886.054CH2N4O2H-tetrazol-2-olN86ON1N=CN=N1InChI=1S/CH2N4O/c6-5-3-1-2-4-5/h1,6HInChIKey=XVNKJDGEOJZCEL-UHFFFAOYSA-N182.7Ex 182.70(BP est) 48.24(MP est) ----(BP exp) ----(MP exp) ON1N=CN=N1 48.2PredN
FC(C1=CO1)=C190986.0654C4H3FO2-(1-fluorovinyl)oxireneN96FC(C1=CO1)=CInChI=1S/C4H3FO/c1-3(5)4-2-6-4/h2H,1H2InChIKey=ACHZIBMLLWZKHO-UHFFFAOYSA-N59.5Ex 59.54(BP est) -85.16(MP est) ----(BP exp) ----(MP exp) FC(C1=CO1)=C -85.2PredN
FC=CC1=CO1191086.0654C4H3FO2-(2-fluorovinyl)oxireneN96FC=CC1=CO1InChI=1S/C4H3FO/c5-2-1-4-3-6-4/h1-3HInChIKey=LGTBANAPXYBOAN-UHFFFAOYSA-N76.1Ex 76.06(BP est) -75.01(MP est) ----(BP exp) ----(MP exp) FC=CC1=CO1 -75PredN
FC#CC1CO1191186.0654C4H3FO2-(fluoroethynyl)oxiraneN96FC#CC1CO1InChI=1S/C4H3FO/c5-2-1-4-3-6-4/h4H,3H2InChIKey=PMWDUPBTDHIAEG-UHFFFAOYSA-N78.1Ex 78.08(BP est) -27.60(MP est) ----(BP exp) ----(MP exp) FC#CC1CO1 -27.6PredN
FC1(C#C)CO1191286.0654C4H3FO2-ethynyl-2-fluorooxiraneN96FC1(C#C)CO1InChI=1S/C4H3FO/c1-2-4(5)3-6-4/h1H,3H2InChIKey=XJIQWMLIQDZCBJ-UHFFFAOYSA-N55.3Ex 55.33(BP est) -51.85(MP est) ----(BP exp) ----(MP exp) FC1(C#C)CO1 -51.9PredN
FC1C(C#C)O1191386.0654C4H3FO2-ethynyl-3-fluorooxiraneN96FC1C(C#C)O1InChI=1S/C4H3FO/c1-2-3-4(5)6-3/h1,3-4HInChIKey=CYQPTNRFCYCEIP-UHFFFAOYSA-N61.4Ex 61.41(BP est) -64.15(MP est) ----(BP exp) ----(MP exp) FC1C(C#C)O1 -64.2PredN
FC(O1)=C1C=C191486.0654C4H3FO2-fluoro-3-vinyloxireneN96FC(O1)=C1C=CInChI=1S/C4H3FO/c1-2-3-4(5)6-3/h2H,1H2InChIKey=DRDFFYRGGBECHY-UHFFFAOYSA-N64.3Ex 64.29(BP est) -70.53(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1C=C -70.5PredN
FC1CC2=C1O2191586.0654C4H3FO2-fluoro-5-oxabicyclo[2.1.0]pent-1(4)-eneN96FC1CC2=C1O2InChI=1S/C4H3FO/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=MALAHCOBZUXHBE-UHFFFAOYSA-N68.2Ex 68.16(BP est) -57.79(MP est) ----(BP exp) ----(MP exp) FC1CC2=C1O2 -57.8PredN
C(=O)C(F)(C#C)191686.0654C4H3FO2-fluorobut-3-ynalN96C(=O)C(F)(C#C)InChI=1S/C4H3FO/c1-2-4(5)3-6/h1,3-4HInChIKey=SMANBXAERDIBKO-UHFFFAOYSA-N81.0Ex 81.02(BP est) -65.06(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(C#C) -65.1PredN
C(=O)C#C(CF)191786.0654C4H3FO4-fluorobut-2-ynalN96C(=O)C#C(CF)InChI=1S/C4H3FO/c5-3-1-2-4-6/h4H,3H2InChIKey=YMWQMBOLAVQAFX-UHFFFAOYSA-N104.7Ex 104.73(BP est) -21.07(MP est) ----(BP exp) ----(MP exp) C(=O)C#C(CF) -21.1PredN
C(=O)C(C#CF)191886.0654C4H3FO4-fluorobut-3-ynalN96C(=O)C(C#CF)InChI=1S/C4H3FO/c5-3-1-2-4-6/h4H,2H2InChIKey=AVRNSYUHCUGANA-UHFFFAOYSA-N104.7Ex 104.73(BP est) -21.07(MP est) ----(BP exp) ----(MP exp) C(=O)C(C#CF) -21.1PredN
CP1C=CC1191986.0738C4H7P1-methyl-1,2-dihydrophospheteN125CP1C=CC1InChI=1S/C4H7P/c1-5-3-2-4-5/h2-3H,4H2,1H3InChIKey=QSGMFALYFJWMJH-UHFFFAOYSA-N79.1Ex 79.14(BP est) -84.60(MP est) ----(BP exp) ----(MP exp) CP1C=CC1 -84.6PredN
C=CP1CC1192086.0738C4H7P1-vinylphosphiraneN125C=CP1CC1InChI=1S/C4H7P/c1-2-5-3-4-5/h2H,1,3-4H2InChIKey=QVLNKOXVWAOWRR-UHFFFAOYSA-N71.7Ex 71.72(BP est) -86.27(MP est) ----(BP exp) ----(MP exp) C=CP1CC1 -86.3PredN
P1C=CCC1192186.0738C4H7P2,3-dihydro-1H-phospholeN125P1C=CCC1InChI=1S/C4H7P/c1-2-4-5-3-1/h1,3,5H,2,4H2InChIKey=BESIKFZDYUEIPV-UHFFFAOYSA-N80.4Ex 80.42(BP est) -85.30(MP est) ----(BP exp) ----(MP exp) P1C=CCC1 -85.3PredN
C#CCCP192286.0738C4H7Pbut-3-yn-1-ylphosphaneN125C#CCCPInChI=1S/C4H7P/c1-2-3-4-5/h1H,3-5H2InChIKey=ACCPWJCVBSFRAA-UHFFFAOYSA-N93.4Ex 93.35(BP est) -59.57(MP est) ----(BP exp) ----(MP exp) C#CCCP -59.6PredN
CC(P)C#C192386.0738C4H7Pbut-3-yn-2-ylphosphaneN125CC(P)C#CInChI=1S/C4H7P/c1-3-4(2)5/h1,4H,5H2,2H3InChIKey=XJQVJDWOHYCPGO-UHFFFAOYSA-N78.6Ex 78.55(BP est) -71.39(MP est) ----(BP exp) ----(MP exp) CC(P)C#C -71.4PredN
C(=C)=C(P)C192486.0738C4H7Pbuta-2,3-dien-2-ylphosphaneN125C(=C)=C(P)CInChI=1S/C4H7P/c1-3-4(2)5/h1,5H2,2H3InChIKey=FJMSLUMCPHPSBT-UHFFFAOYSA-N68.1Ex 68.12(BP est) -106.07(MP est) ----(BP exp) ----(MP exp) C(=C)=C(P)C -106.1PredN
PC1CC=C1192586.0738C4H7Pcyclobut-2-en-1-ylphosphaneN125PC1CC=C1InChI=1S/C4H7P/c5-4-2-1-3-4/h1-2,4H,3,5H2InChIKey=MLAWJMGFZKSWNQ-UHFFFAOYSA-N94.4Ex 94.37(BP est) -75.17(MP est) ----(BP exp) ----(MP exp) PC1CC=C1 -75.2PredN
C=CPC=C192686.0738C4H7PdivinylphosphaneN125C=CPC=CInChI=1S/C4H7P/c1-3-5-4-2/h3-5H,1-2H2InChIKey=LVFABXZBYIFPAB-UHFFFAOYSA-N59.5Ex 59.51(BP est) -102.88(MP est) ----(BP exp) ----(MP exp) C=CPC=C -102.9PredN
CCPC#C192786.0738C4H7Pethyl(ethynyl)phosphaneN125CCPC#CInChI=1S/C4H7P/c1-3-5-4-2/h1,5H,4H2,2H3InChIKey=KQCFZYDIWAPXKT-UHFFFAOYSA-N72.2Ex 72.16(BP est) -73.94(MP est) ----(BP exp) ----(MP exp) CCPC#C -73.9PredN
CP(C)C#C192886.0738C4H7PethynyldimethylphosphaneN125CP(C)C#CInChI=1S/C4H7P/c1-4-5(2)3/h1H,2-3H3InChIKey=AAZQUDYEQHIYSZ-UHFFFAOYSA-N73.2Ex 73.16(BP est) -74.33(MP est) ----(BP exp) ----(MP exp) CP(C)C#C -74.3PredN
CC#CPC192986.0738C4H7Pmethyl(prop-1-yn-1-yl)phosphaneN125CC#CPCInChI=1S/C4H7P/c1-3-4-5-2/h5H,1-2H3InChIKey=JTQWYIRMXKGXEJ-UHFFFAOYSA-N81.4Ex 81.44(BP est) -41.66(MP est) ----(BP exp) ----(MP exp) CC#CPC -41.7PredN
CPCC#C193086.0738C4H7Pmethyl(prop-2-yn-1-yl)phosphaneN125CPCC#CInChI=1S/C4H7P/c1-3-4-5-2/h1,5H,4H2,2H3InChIKey=SAYIMLSDKACOJJ-UHFFFAOYSA-N72.2Ex 72.16(BP est) -73.94(MP est) ----(BP exp) ----(MP exp) CPCC#C -73.9PredN
OCOCC#C193186.09C4H6O2(prop-2-yn-1-yloxy)methanolN126OCOCC#CInChI=1S/C4H6O2/c1-2-3-6-4-5/h1,5H,3-4H2InChIKey=XYELFNLHNQUQIA-UHFFFAOYSA-N145.7Ex 145.69(BP est) -18.45(MP est) ----(BP exp) ----(MP exp) OCOCC#C -18.5PredN
O=C(C)C1OC1193286.09C4H6O21-(oxiran-2-yl)ethan-1-oneN126O=C(C)C1OC1InChI=1S/C4H6O2/c1-3(5)4-2-6-4/h4H,2H2,1H3InChIKey=YBWJKTAELMMCHQ-UHFFFAOYSA-N105.6Ex 105.60(BP est) -47.94(MP est) ----(BP exp) ----(MP exp) O=C(C)C1OC1 -47.9PredN
OC(OC)C#C193386.09C4H6O21-methoxyprop-2-yn-1-olN126OC(OC)C#CInChI=1S/C4H6O2/c1-3-4(5)6-2/h1,4-5H,2H3InChIKey=KUIDKPNCJASHSE-UHFFFAOYSA-N124.7Ex 124.71(BP est) -32.07(MP est) ----(BP exp) ----(MP exp) OC(OC)C#C -32.1PredN
[C@H]1(C2OC2)OC1193486.09C4H6O22,2'-bioxiraneN126[C@H]1(C2OC2)OC1InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2InChIKey=ZFIVKAOQEXOYFY-UHFFFAOYSA-N143.3Ex 93.26(BP est) -54.25(MP est) 144.00(BP exp) 4.00(MP exp) [C@H]1(C2OC2)OC1 4ExptN
O1CCOC=C1193586.09C4H6O22,3-dihydro-1,4-dioxineN126O1CCOC=C1InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2InChIKey=HIZVCIIORGCREW-UHFFFAOYSA-N94.0Ex 105.90(BP est) -62.31(MP est) 94.10(BP exp) ----(MP exp) O1CCOC=C1 -62.3PredN
C12OC1COC2193686.09C4H6O23,6-dioxabicyclo[3.1.0]hexaneN126C12OC1COC2InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2InChIKey=AIUTZIYTEUMXGG-UHFFFAOYSA-N93.3Ex 93.26(BP est) -54.25(MP est) ----(BP exp) ----(MP exp) C12OC1COC2 -54.3PredN
OC(C1)CC1=O193786.09C4H6O23-hydroxycyclobutan-1-oneN126OC(C1)CC1=OInChI=1S/C4H6O2/c5-3-1-4(6)2-3/h3,5H,1-2H2InChIKey=VYZHGWJPDGIYDR-UHFFFAOYSA-N175.3Ex 175.30(BP est) -3.08(MP est) ----(BP exp) ----(MP exp) OC(C1)CC1=O -3.1PredN
O=C1OCC1C193886.09C4H6O23-methyloxetan-2-oneN126O=C1OCC1CInChI=1S/C4H6O2/c1-3-2-6-4(3)5/h3H,2H2,1H3InChIKey=NYBXFCLDEATPCM-UHFFFAOYSA-N168.9Ex 168.88(BP est) -44.79(MP est) ----(BP exp) ----(MP exp) O=C1OCC1C -44.8PredN
O=C(C)CC=O193986.09C4H6O23-oxobutanalN126O=C(C)CC=OInChI=1S/C4H6O2/c1-4(6)2-3-5/h3H,2H2,1H3InChIKey=PKQIDSVLSKFZQC-UHFFFAOYSA-N131.1Ex 131.13(BP est) -41.74(MP est) ----(BP exp) ----(MP exp) O=C(C)CC=O -41.7PredN
O=C/C=C/CO194086.09C4H6O24-hydroxybut-2-enalN126O=C/C=C/COInChI=1S/C4H6O2/c5-3-1-2-4-6/h1-3,6H,4H2InChIKey=FXCMZPXXCRHRNK-UHFFFAOYSA-N177.1Ex 177.06(BP est) -25.43(MP est) ----(BP exp) ----(MP exp) O=C/C=C/CO -25.4PredY(DNP 2017)
CC1CC(O1)=O194186.09C4H6O24-methyloxetan-2-oneN126CC1CC(O1)=OInChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3InChIKey=GSCLMSFRWBPUSK-UHFFFAOYSA-N168.9Ex 168.88(BP est) -44.79(MP est) ----(BP exp) ----(MP exp) CC1CC(O1)=O -44.8PredN
O=COCC=C194286.09C4H6O2allyl formateN126O=COCC=CInChI=1S/C4H6O2/c1-2-3-6-4-5/h2,4H,1,3H2InChIKey=ZHHZHHSFKCANOC-UHFFFAOYSA-N82.6Ex 78.35(BP est) -74.65(MP est) 83.60(BP exp) ----(MP exp) O=COCC=C -74.7PredN
CC(C(C)=O)=O194386.09C4H6O2biacetylN126CC(C(C)=O)=OInChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N87.6Ex 117.70(BP est) -41.70(MP est) 88.00(BP exp) -1.20(MP exp) CC(C(C)=O)=O -1.2ExptY(Cha and Cadwallader 1995, Feng et al. 2007, Irwin et al. 2012)
OC(=O)C=C(C)194586.09C4H6O2but-2-enoic acidN126OC(=O)C=C(C)InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)InChIKey=LDHQCZJRKDOVOX-UHFFFAOYSA-N177.8Ex 173.37(BP est) 2.39(MP est) 185.00(BP exp) 72.00(MP exp) OC(=O)C=C(C) 72ExptY(Irwin et al. 2012, DNP 2017)
OCC#CCO194686.09C4H6O2but-2-yne-1,4-diolN126OCC#CCOInChI=1S/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2InChIKey=DLDJFQGPPSQZKI-UHFFFAOYSA-N238.0Ex 209.89(BP est) 29.02(MP est) 238.00(BP exp) 50.00(MP exp) OCC#CCO 50ExptN
OC(=O)C(C=C)194786.09C4H6O2but-3-enoic acidN126OC(=O)C(C=C)InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)InChIKey=PVEOYINWKBTPIZ-UHFFFAOYSA-N164.5Ex 165.24(BP est) 1.67(MP est) 169.00(BP exp) -35.00(MP exp) OC(=O)C(C=C) -35ExptY(Irwin et al. 2012)
OCC(O)(C#C)194886.09C4H6O2but-3-yne-1,2-diolN126OCC(O)(C#C)InChI=1S/C4H6O2/c1-2-4(6)3-5/h1,4-6H,3H2InChIKey=GJMTYVRMTSLDDV-UHFFFAOYSA-N183.9Ex 183.85(BP est) 4.49(MP est) ----(BP exp) ----(MP exp) OCC(O)(C#C) 4.5PredN
OC(=O)C(C1)(C1)194986.09C4H6O2cyclopropanecarboxylic acidN126OC(=O)C(C1)(C1)InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)InChIKey=YMGUBTXCNDTFJI-UHFFFAOYSA-N182.8Ex 170.46(BP est) 13.04(MP est) 183.00(BP exp) 18.50(MP exp) OC(=O)C(C1)(C1) 18.5ExptN
O=C1CCCO1195086.09C4H6O2dihydrofuran-2(3H)-oneN126O=C1CCCO1InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2InChIKey=YEJRWHAVMIAJKC-UHFFFAOYSA-N203.5Ex 176.93(BP est) -42.08(MP est) 204.00(BP exp) -43.30(MP exp) O=C1CCCO1 -43.3ExptY(Diaz et al. 2002, Boustie et al. 2005)
O=C1CCOC1195186.09C4H6O2dihydrofuran-3(2H)-oneN126O=C1CCOC1InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2InChIKey=JLPJFSCQKHRSQR-UHFFFAOYSA-N139.6Ex 136.71(BP est) -31.11(MP est) ----(BP exp) ----(MP exp) O=C1CCOC1 -31.1PredY(Wishart et al. 2013)
OC(=O)C(C)=C195286.09C4H6O2methacrylic acidN126OC(=O)C(C)=CInChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)InChIKey=CERQOIWHTDAKMF-UHFFFAOYSA-N161.6Ex 159.35(BP est) -7.03(MP est) 163.00(BP exp) 16.00(MP exp) OC(=O)C(C)=C 16ExptY(Irwin et al. 2012, DNP 2017)
COC(C=C)=O195386.09C4H6O2methyl acrylateN126COC(C=C)=OInChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3InChIKey=BAPJBEWLBFYGME-UHFFFAOYSA-N80.1Ex 76.05(BP est) -83.50(MP est) 80.20(BP exp) -76.50(MP exp) COC(C=C)=O -76.5ExptY(Gu et al. 2013)
O=CC1COC1195486.09C4H6O2oxetane-3-carbaldehydeN126O=CC1COC1InChI=1S/C4H6O2/c5-1-4-2-6-3-4/h1,4H,2-3H2InChIKey=FYCBRGMZDWYEHI-UHFFFAOYSA-N121.4Ex 121.43(BP est) -49.04(MP est) ----(BP exp) ----(MP exp) O=CC1COC1 -49PredN
O=CCCC=O195586.09C4H6O2succinaldehydeN126O=CCCC=OInChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2InChIKey=PCSMJKASWLYICJ-UHFFFAOYSA-N169.0Ex 144.26(BP est) -41.88(MP est) ----(BP exp) ----(MP exp) O=CCCC=O -41.9PredN
C=COC(C)=O195686.09C4H6O2vinyl acetateN126C=COC(C)=OInChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3InChIKey=XTXRWKRVRITETP-UHFFFAOYSA-N72.3Ex 76.05(BP est) -83.50(MP est) 72.50(BP exp) -93.20(MP exp) C=COC(C)=O -93.2ExptY(Burdock 1997, de Lacy Costello et al. 2014)
O=C1CCN1N195786.094C3H6N2O1-aminoazetidin-2-oneN126O=C1CCN1NInChI=1S/C3H6N2O/c4-5-2-1-3(5)6/h1-2,4H2InChIKey=JTFLUJJESVAQGM-UHFFFAOYSA-N212.9Ex 212.88(BP est) 35.91(MP est) ----(BP exp) ----(MP exp) O=C1CCN1N 35.9PredN
C1CN(C1)N=O195886.094C3H6N2O1-nitrosoazetidineN126C1CN(C1)N=OInChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2InChIKey=SNKTZBNDUVWOAZ-UHFFFAOYSA-N56.0Ex 187.35(BP est) -13.34(MP est) ----(BP exp) ----(MP exp) C1CN(C1)N=O -13.3PredN
NC(NC=C)=O195986.094C3H6N2O1-vinylureaN126NC(NC=C)=OInChI=1S/C3H6N2O/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)InChIKey=FAFWKDXOUWXCDP-UHFFFAOYSA-N196.4Ex 196.38(BP est) 21.69(MP est) ----(BP exp) ----(MP exp) NC(NC=C)=O 21.7PredN
C1C=CNN1O196086.094C3H6N2O2,5-dihydro-1H-pyrazol-1-olN126C1C=CNN1OInChI=1S/C3H6N2O/c6-5-3-1-2-4-5/h1-2,4,6H,3H2InChIKey=MCHCJRSWDODVOE-UHFFFAOYSA-N260.8Ex 260.82(BP est) 63.86(MP est) ----(BP exp) ----(MP exp) C1C=CNN1O 63.9PredN
NC(C#N)CO196186.094C3H6N2O2-amino-3-hydroxypropanenitrileN126NC(C#N)COInChI=1S/C3H6N2O/c4-1-3(5)2-6/h3,6H,2,5H2InChIKey=BOYRGCUYTXBPQH-UHFFFAOYSA-N221.3Ex 221.25(BP est) 30.00(MP est) ----(BP exp) ----(MP exp) NC(C#N)CO 30PredN
O=C(C(=C)N)N196286.094C3H6N2O2-aminoacrylamideN126O=C(C(=C)N)NInChI=1S/C3H6N2O/c1-2(4)3(5)6/h1,4H2,(H2,5,6)InChIKey=IUMRWGYGZHKZKF-UHFFFAOYSA-N241.6Ex 241.57(BP est) 58.81(MP est) ----(BP exp) ----(MP exp) O=C(C(=C)N)N 58.8PredN
CC1CN1N=O196386.094C3H6N2O2-methyl-1-nitrosoaziridineN126CC1CN1N=OInChI=1S/C3H6N2O/c1-3-2-5(3)4-6/h3H,2H2,1H3InChIKey=QHWOWVOMYXLTCH-UHFFFAOYSA-N179.5Ex 179.47(BP est) -16.00(MP est) ----(BP exp) ----(MP exp) CC1CN1N=O -16PredN
N#CCCON196486.094C3H6N2O3-(aminooxy)propanenitrileN126N#CCCONInChI=1S/C3H6N2O/c4-2-1-3-6-5/h1,3,5H2InChIKey=QKVLDIHLMXWIAF-UHFFFAOYSA-N179.5Ex 179.46(BP est) 6.01(MP est) ----(BP exp) ----(MP exp) N#CCCON 6PredN
N\C=C\C(N)=O196586.094C3H6N2O3-aminoacrylamideN126N\C=C\C(N)=OInChI=1S/C3H6N2O/c4-2-1-3(5)6/h1-2H,4H2,(H2,5,6)InChIKey=QHAKAGPSCONBON-UHFFFAOYSA-N253.1Ex 253.13(BP est) 66.53(MP est) ----(BP exp) ----(MP exp) N\C=C\C(N)=O 66.5PredN
C1[C@@H](C(=O)N1)N196686.094C3H6N2O3-aminoazetidin-2-oneN126C1[C@@H](C(=O)N1)NInChI=1S/C3H6N2O/c4-2-1-5-3(2)6/h2H,1,4H2,(H,5,6)InChIKey=GCBWDZYSLVSRRI-UHFFFAOYSA-N258.8Ex 258.76(BP est) 74.04(MP est) ----(BP exp) ----(MP exp) C1[C@@H](C(=O)N1)N 74PredN
OC/1CN\N=C\1196786.094C3H6N2O4,5-dihydro-1H-pyrazol-4-olN126OC/1CN\N=C\1InChI=1S/C3H6N2O/c6-3-1-4-5-2-3/h1,3,5-6H,2H2InChIKey=YROQKTAPCUBDER-UHFFFAOYSA-N243.4Ex 243.35(BP est) 52.11(MP est) ----(BP exp) ----(MP exp) OC/1CN\N=C\1 52.1PredN
NC1=NCCO1196886.094C3H6N2O4,5-dihydrooxazol-2-amineN126NC1=NCCO1InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)InChIKey=YAXGBZDYGZBRBQ-UHFFFAOYSA-N148.3Ex 148.27(BP est) 16.56(MP est) ----(BP exp) ----(MP exp) NC1=NCCO1 16.6PredN
C\1=N\NCCO/1196986.094C3H6N2O5,6-dihydro-4H-1,3,4-oxadiazineN126C\1=N\NCCO/1InChI=1S/C3H6N2O/c1-2-6-3-5-4-1/h3-4H,1-2H2InChIKey=XFAXZUVCSIKZEJ-UHFFFAOYSA-N210.4Ex 210.36(BP est) 28.09(MP est) ----(BP exp) ----(MP exp) C\1=N\NCCO/1 28.1PredN
C=CC(=O)NN197086.094C3H6N2OacrylohydrazideN126C=CC(=O)NNInChI=1S/C3H6N2O/c1-2-3(6)5-4/h2H,1,4H2,(H,5,6)InChIKey=KJASTBCNGFYKSR-UHFFFAOYSA-N240.9Ex 240.88(BP est) 56.65(MP est) ----(BP exp) ----(MP exp) C=CC(=O)NN 56.7PredN
NC(N1CC1)=O197186.094C3H6N2Oaziridine-1-carboxamideN126NC(N1CC1)=OInChI=1S/C3H6N2O/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)InChIKey=FFBZKUHRIXKOSY-UHFFFAOYSA-N203.4Ex 203.36(BP est) 27.52(MP est) ----(BP exp) ----(MP exp) NC(N1CC1)=O 27.5PredN
O=C(N)C1NC1197286.094C3H6N2Oaziridine-2-carboxamideN126O=C(N)C1NC1InChI=1S/C3H6N2O/c4-3(6)2-1-5-2/h2,5H,1H2,(H2,4,6)InChIKey=LZRVAAYXGFWSDY-UHFFFAOYSA-N250.1Ex 250.05(BP est) 76.38(MP est) ----(BP exp) ----(MP exp) O=C(N)C1NC1 76.4PredN
O=C1NCCN1197386.094C3H6N2Oimidazolidin-2-oneN126O=C1NCCN1InChI=1S/C3H6N2O/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)InChIKey=YAMHXTCMCPHKLN-UHFFFAOYSA-N216.0Ex 216.01(BP est) 35.56(MP est) ----(BP exp) 131.00(MP exp) O=C1NCCN1 131ExptN
O=C1NCNC1197486.094C3H6N2Oimidazolidin-4-oneN126O=C1NCNC1InChI=1S/C3H6N2O/c6-3-1-4-2-5-3/h4H,1-2H2,(H,5,6)InChIKey=GVONPBONFIJAHJ-UHFFFAOYSA-N264.6Ex 264.55(BP est) 82.19(MP est) ----(BP exp) ----(MP exp) O=C1NCNC1 82.2PredN
N#CNCCO197586.094C3H6N2ON-(2-hydroxyethyl)cyanamideN126N#CNCCOInChI=1S/C3H6N2O/c4-3-5-1-2-6/h5-6H,1-2H2InChIKey=KJHZCUIPLQNSBB-UHFFFAOYSA-N217.9Ex 217.85(BP est) 21.21(MP est) ----(BP exp) ----(MP exp) N#CNCCO 21.2PredN
C=CNCN=O197686.094C3H6N2ON-(nitrosomethyl)ethenamineN126C=CNCN=OInChI=1S/C3H6N2O/c1-2-4-3-5-6/h2,4H,1,3H2InChIKey=OJOSIGWOPDEPAG-UHFFFAOYSA-N75.6Ex 75.62(BP est) -28.41(MP est) ----(BP exp) ----(MP exp) C=CNCN=O -28.4PredN
CN(C)N=C=O197786.094C3H6N2ON-isocyanato-N-methylmethanamineN126CN(C)N=C=OInChI=1S/C3H6N2O/c1-5(2)4-3-6/h1-2H3InChIKey=BZUGPSRPNPHCRH-UHFFFAOYSA-N91.5Ex 91.48(BP est) -41.20(MP est) ----(BP exp) ----(MP exp) CN(C)N=C=O -41.2PredN
CC(=O)NN=C197886.094C3H6N2ON'-methyleneacetohydrazideN126CC(=O)NN=CInChI=1S/C3H6N2O/c1-3(6)5-4-2/h2H2,1H3,(H,5,6)InChIKey=CUQQXXHZLBBJGV-UHFFFAOYSA-N212.7Ex 212.68(BP est) 28.66(MP est) ----(BP exp) ----(MP exp) CC(=O)NN=C 28.7PredN
CN(C=C)N=O197986.094C3H6N2ON-methyl-N-vinylnitrous amideN126CN(C=C)N=OInChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3InChIKey=AWZVYNHQGTZJIH-UHFFFAOYSA-N176.3Ex 176.27(BP est) -28.54(MP est) ----(BP exp) ----(MP exp) CN(C=C)N=O -28.5PredN
O=C1NNCC1198086.094C3H6N2Opyrazolidin-3-oneN126O=C1NNCC1InChI=1S/C3H6N2O/c6-3-1-2-4-5-3/h4H,1-2H2,(H,5,6)InChIKey=NDGRWYRVNANFNB-UHFFFAOYSA-N264.6Ex 264.55(BP est) 82.19(MP est) ----(BP exp) ----(MP exp) O=C1NNCC1 82.2PredN
N(N)=CC=NN198286.098C2H6N41,2-dihydrazineylideneethaneN126N(N)=CC=NNInChI=1S/C2H6N4/c3-5-1-2-6-4/h1-2H,3-4H2InChIKey=YEIYMELXENLJSN-UHFFFAOYSA-N168.8Ex 168.82(BP est) -7.25(MP est) ----(BP exp) ----(MP exp) N(N)=CC=NN -7.3PredN
N\1=C\N(N)CN/1198386.098C2H6N41,5-dihydro-4H-1,2,4-triazol-4-amineN126N\1=C\N(N)CN/1InChI=1S/C2H6N4/c3-6-1-4-5-2-6/h1,5H,2-3H2InChIKey=VFCMBMAAENUIEG-UHFFFAOYSA-N237.8Ex 237.75(BP est) 65.63(MP est) ----(BP exp) ----(MP exp) N\1=C\N(N)CN/1 65.6PredN
N\1=C(/N)NNC/1198486.098C2H6N42,5-dihydro-1H-1,2,4-triazol-3-amineN126N\1=C(/N)NNC/1InChI=1S/C2H6N4/c3-2-4-1-5-6-2/h5H,1H2,(H3,3,4,6)InChIKey=VQJDILJYEKKVFA-UHFFFAOYSA-N308.3Ex 308.32(BP est) 107.88(MP est) ----(BP exp) ----(MP exp) N\1=C(/N)NNC/1 107.9PredN
[N-]=[N+]=NCCN198586.098C2H6N42-azidoethan-1-amineN126[N-]=[N+]=NCCNInChI=1S/C2H6N4/c3-1-2-5-6-4/h1-3H2InChIKey=CSTIZSQKHUSKHU-UHFFFAOYSA-N370.5Ex 370.46(BP est) 151.65(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NCCN 151.7PredN
N\1=C\NN(N/1)C198686.098C2H6N42-methyl-2,3-dihydro-1H-tetrazoleN126N\1=C\NN(N/1)CInChI=1S/C2H6N4/c1-6-4-2-3-5-6/h2,5H,1H3,(H,3,4)InChIKey=LHTBOIKFVYOHJY-UHFFFAOYSA-N287.7Ex 287.65(BP est) 92.92(MP est) ----(BP exp) ----(MP exp) N\1=C\NN(N/1)C 92.9PredN
C(=N)N=C(N)N198786.098C2H6N4N-(diaminomethylene)formimidamideN126C(=N)N=C(N)NInChI=1S/C2H6N4/c3-1-6-2(4)5/h1H,(H5,3,4,5,6)InChIKey=RFHNXMHKSKFOBX-UHFFFAOYSA-N200.9Ex 200.85(BP est) 26.38(MP est) ----(BP exp) ----(MP exp) C(=N)N=C(N)N 26.4PredN
C(=N)(C(=N)N)N198886.098C2H6N4oxalimidamideN126C(=N)(C(=N)N)NInChI=1S/C2H6N4/c3-1(4)2(5)6/h(H3,3,4)(H3,5,6)InChIKey=RDJGIQPSSNMJPF-UHFFFAOYSA-N230.7Ex 230.70(BP est) 51.59(MP est) ----(BP exp) ----(MP exp) C(=N)(C(=N)N)N 51.6PredN
C1=CSC1=O198986.108C3H2OS2H-thiet-2-oneN75C1=CSC1=OInChI=1S/C3H2OS/c4-3-1-2-5-3/h1-2HInChIKey=WDPCXBANYHXQMB-UHFFFAOYSA-N148.5Ex 148.49(BP est) -5.73(MP est) ----(BP exp) ----(MP exp) C1=CSC1=O -5.7PredN
C(F)(C)=C(C1)(C1)199086.1094C5H7F(1-fluoroethylidene)cyclopropaneN136C(F)(C)=C(C1)(C1)InChI=1S/C5H7F/c1-4(6)5-2-3-5/h2-3H2,1H3InChIKey=HQZINWVUCNOFEW-UHFFFAOYSA-N56.8Ex 56.81(BP est) -94.19(MP est) ----(BP exp) ----(MP exp) C(F)(C)=C(C1)(C1) -94.2PredN
C(C1)(C1)(C(F)=C)199186.1094C5H7F(1-fluorovinyl)cyclopropaneN136C(C1)(C1)(C(F)=C)InChI=1S/C5H7F/c1-4(6)5-2-3-5/h5H,1-3H2InChIKey=BCSXJSQFOLALIC-UHFFFAOYSA-N43.9Ex 43.94(BP est) -106.12(MP est) ----(BP exp) ----(MP exp) C(C1)(C1)(C(F)=C) -106.1PredN
C(CF)=C(C1)(C1)199286.1094C5H7F(2-fluoroethylidene)cyclopropaneN136C(CF)=C(C1)(C1)InChI=1S/C5H7F/c6-4-3-5-1-2-5/h3H,1-2,4H2InChIKey=OULXVBYTCUDDKN-UHFFFAOYSA-N63.8Ex 63.76(BP est) -85.18(MP est) ----(BP exp) ----(MP exp) C(CF)=C(C1)(C1) -85.2PredN
C(C1)(C1)(C=CF)199386.1094C5H7F(2-fluorovinyl)cyclopropaneN136C(C1)(C1)(C=CF)InChI=1S/C5H7F/c6-4-3-5-1-2-5/h3-5H,1-2H2InChIKey=XDXUIILZOHDACY-UHFFFAOYSA-N60.8Ex 60.82(BP est) -95.87(MP est) ----(BP exp) ----(MP exp) C(C1)(C1)(C=CF) -95.9PredN
C(F)=C(C1)(CC1)199486.1094C5H7F(fluoromethylene)cyclobutaneN136C(F)=C(C1)(CC1)InChI=1S/C5H7F/c6-4-5-2-1-3-5/h4H,1-3H2InChIKey=XBRCRWXAUGOEHD-UHFFFAOYSA-N66.1Ex 66.08(BP est) -86.26(MP est) ----(BP exp) ----(MP exp) C(F)=C(C1)(CC1) -86.3PredN
FC(C)C1=CC1199586.1094C5H7F1-(1-fluoroethyl)cycloprop-1-eneN136FC(C)C1=CC1InChI=1S/C5H7F/c1-4(6)5-2-3-5/h2,4H,3H2,1H3InChIKey=ASZDNEDKGPMLIQ-UHFFFAOYSA-N46.0Ex 46.02(BP est) -96.40(MP est) ----(BP exp) ----(MP exp) FC(C)C1=CC1 -96.4PredN
FCCC1=CC1199686.1094C5H7F1-(2-fluoroethyl)cycloprop-1-eneN136FCCC1=CC1InChI=1S/C5H7F/c6-4-3-5-1-2-5/h1H,2-4H2InChIKey=CWHNBFMNBJQLTR-UHFFFAOYSA-N61.5Ex 61.51(BP est) -84.37(MP est) ----(BP exp) ----(MP exp) FCCC1=CC1 -84.4PredN
CC(C1)=C1CF199786.1094C5H7F1-(fluoromethyl)-2-methylcycloprop-1-eneN136CC(C1)=C1CFInChI=1S/C5H7F/c1-4-2-5(4)3-6/h2-3H2,1H3InChIKey=DSVWRVILTNHOJV-UHFFFAOYSA-N59.3Ex 59.33(BP est) -78.75(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1CF -78.8PredN
FCC1=CC1C199886.1094C5H7F1-(fluoromethyl)-3-methylcycloprop-1-eneN136FCC1=CC1CInChI=1S/C5H7F/c1-4-2-5(4)3-6/h2,4H,3H2,1H3InChIKey=FZTXWBMEJNWRIV-UHFFFAOYSA-N54.1Ex 54.10(BP est) -88.66(MP est) ----(BP exp) ----(MP exp) FCC1=CC1C -88.7PredN
C(C1)=C(CF)(C1)199986.1094C5H7F1-(fluoromethyl)cyclobut-1-eneN136C(C1)=C(CF)(C1)InChI=1S/C5H7F/c6-4-5-2-1-3-5/h2H,1,3-4H2InChIKey=XEKXCRSHPPQSAM-UHFFFAOYSA-N63.8Ex 63.84(BP est) -85.45(MP est) ----(BP exp) ----(MP exp) C(C1)=C(CF)(C1) -85.5PredN
FC(C1)=C1CC200086.1094C5H7F1-ethyl-2-fluorocycloprop-1-eneN136FC(C1)=C1CCInChI=1S/C5H7F/c1-2-4-3-5(4)6/h2-3H2,1H3InChIKey=XPKFNMHZOJVRBT-UHFFFAOYSA-N59.3Ex 59.33(BP est) -78.75(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1CC -78.8PredN
CCC1=CC1F200186.1094C5H7F1-ethyl-3-fluorocycloprop-1-eneN136CCC1=CC1FInChI=1S/C5H7F/c1-2-4-3-5(4)6/h3,5H,2H2,1H3InChIKey=REBOUFZCGVHLBN-UHFFFAOYSA-N54.1Ex 54.10(BP est) -88.66(MP est) ----(BP exp) ----(MP exp) CCC1=CC1F -88.7PredN
C(C)=C(C1)(C1F)200286.1094C5H7F1-ethylidene-2-fluorocyclopropaneN136C(C)=C(C1)(C1F)InChI=1S/C5H7F/c1-2-4-3-5(4)6/h2,5H,3H2,1H3InChIKey=WWFBNOJHTJILDN-UHFFFAOYSA-N56.4Ex 56.37(BP est) -89.45(MP est) ----(BP exp) ----(MP exp) C(C)=C(C1)(C1F) -89.5PredN
C(F)(C1)(C1)(C=C)200386.1094C5H7F1-fluoro-1-vinylcyclopropaneN136C(F)(C1)(C1)(C=C)InChI=1S/C5H7F/c1-2-5(6)3-4-5/h2H,1,3-4H2InChIKey=XCUGRPSVQSUSHI-UHFFFAOYSA-N37.3Ex 37.27(BP est) -89.14(MP est) ----(BP exp) ----(MP exp) C(F)(C1)(C1)(C=C) -89.1PredN
FC(C1C)=C1C200486.1094C5H7F1-fluoro-2,3-dimethylcycloprop-1-eneN136FC(C1C)=C1CInChI=1S/C5H7F/c1-3-4(2)5(3)6/h3H,1-2H3InChIKey=XTEAJVDKMWRFQY-UHFFFAOYSA-N51.9Ex 51.89(BP est) -83.04(MP est) ----(BP exp) ----(MP exp) FC(C1C)=C1C -83PredN
C(F)=C(C)(C=C)200586.1094C5H7F1-fluoro-2-methylbuta-1,3-dieneN136C(F)=C(C)(C=C)InChI=1S/C5H7F/c1-3-5(2)4-6/h3-4H,1H2,2H3InChIKey=UUTPZHWGFTZZDC-UHFFFAOYSA-N47.5Ex 47.52(BP est) -116.59(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(C=C) -116.6PredN
C(F)(C1)=C(C)(C1)200686.1094C5H7F1-fluoro-2-methylcyclobut-1-eneN136C(F)(C1)=C(C)(C1)InChI=1S/C5H7F/c1-4-2-3-5(4)6/h2-3H2,1H3InChIKey=HFVMDEQEKSQADH-UHFFFAOYSA-N61.7Ex 61.66(BP est) -79.83(MP est) ----(BP exp) ----(MP exp) C(F)(C1)=C(C)(C1) -79.8PredN
C=C(C1)(C(F)C1)200786.1094C5H7F1-fluoro-2-methylenecyclobutaneN136C=C(C1)(C(F)C1)InChI=1S/C5H7F/c1-4-2-3-5(4)6/h5H,1-3H2InChIKey=BEMOUHWXSBGMCX-UHFFFAOYSA-N48.9Ex 48.88(BP est) -91.74(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C(F)C1) -91.7PredN
C(C1)(C1F)(C=C)200886.1094C5H7F1-fluoro-2-vinylcyclopropaneN136C(C1)(C1F)(C=C)InChI=1S/C5H7F/c1-2-4-3-5(4)6/h2,4-5H,1,3H2InChIKey=FNTDIFIAKLZSJO-UHFFFAOYSA-N43.5Ex 43.49(BP est) -101.39(MP est) ----(BP exp) ----(MP exp) C(C1)(C1F)(C=C) -101.4PredN
FC1=CC1(C)C200986.1094C5H7F1-fluoro-3,3-dimethylcycloprop-1-eneN136FC1=CC1(C)CInChI=1S/C5H7F/c1-5(2)3-4(5)6/h3H,1-2H3InChIKey=QFJXTLLZSULRQL-UHFFFAOYSA-N40.4Ex 40.42(BP est) -80.70(MP est) ----(BP exp) ----(MP exp) FC1=CC1(C)C -80.7PredN
C(C)(C)(C#CF)201086.1094C5H7F1-fluoro-3-methylbut-1-yneN136C(C)(C)(C#CF)InChI=1S/C5H7F/c1-5(2)3-4-6/h5H,1-2H3InChIKey=QWPANCPDUBEXKL-UHFFFAOYSA-N51.7Ex 51.68(BP est) -59.42(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C#CF) -59.4PredN
C=C(C)(C=CF)201186.1094C5H7F1-fluoro-3-methylbuta-1,3-dieneN136C=C(C)(C=CF)InChI=1S/C5H7F/c1-5(2)3-4-6/h3-4H,1H2,2H3InChIKey=OXTGHUHTRXPIKZ-UHFFFAOYSA-N47.5Ex 47.52(BP est) -116.59(MP est) ----(BP exp) ----(MP exp) C=C(C)(C=CF) -116.6PredN
C(C)(C1)(C=C1F)201286.1094C5H7F1-fluoro-3-methylcyclobut-1-eneN136C(C)(C1)(C=C1F)InChI=1S/C5H7F/c1-4-2-5(6)3-4/h2,4H,3H2,1H3InChIKey=DHRXLZKECZAQGU-UHFFFAOYSA-N56.5Ex 56.46(BP est) -89.73(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C=C1F) -89.7PredN
C=C(C1)(CC1F)201386.1094C5H7F1-fluoro-3-methylenecyclobutaneN136C=C(C1)(CC1F)InChI=1S/C5H7F/c1-4-2-5(6)3-4/h5H,1-3H2InChIKey=QHNSLXGNBJPVBB-UHFFFAOYSA-N48.9Ex 48.88(BP est) -91.74(MP est) ----(BP exp) ----(MP exp) C=C(C1)(CC1F) -91.7PredN
C(C)(C1)(C(F)=C1)201486.1094C5H7F1-fluoro-4-methylcyclobut-1-eneN136C(C)(C1)(C(F)=C1)InChI=1S/C5H7F/c1-4-2-3-5(4)6/h3-4H,2H2,1H3InChIKey=ZMZKCUPJRPRQHE-UHFFFAOYSA-N56.5Ex 56.46(BP est) -89.73(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C(F)=C1) -89.7PredN
FC12CC1CC2201586.1094C5H7F1-fluorobicyclo[2.1.0]pentaneN136FC12CC1CC2InChI=1S/C5H7F/c6-5-2-1-4(5)3-5/h4H,1-3H2InChIKey=NOGHLYQQOPKZBP-UHFFFAOYSA-N41.3Ex 41.28(BP est) -76.36(MP est) ----(BP exp) ----(MP exp) FC12CC1CC2 -76.4PredN
C(CC1)(C=C1F)201686.1094C5H7F1-fluorocyclopent-1-eneN136C(CC1)(C=C1F)InChI=1S/C5H7F/c6-5-3-1-2-4-5/h3H,1-2,4H2InChIKey=IFRIJEKNVVMZBB-UHFFFAOYSA-N66.2Ex 66.16(BP est) -86.54(MP est) ----(BP exp) ----(MP exp) C(CC1)(C=C1F) -86.5PredN
C(C)(CC#CF)201786.1094C5H7F1-fluoropent-1-yneN136C(C)(CC#CF)InChI=1S/C5H7F/c1-2-3-4-5-6/h2-3H2,1H3InChIKey=IYWZGWHSQYXRDX-UHFFFAOYSA-N67.1Ex 67.06(BP est) -47.43(MP est) ----(BP exp) ----(MP exp) C(C)(CC#CF) -47.4PredN
C(CF)#C(CC)201886.1094C5H7F1-fluoropent-2-yneN136C(CF)#C(CC)InChI=1S/C5H7F/c1-2-3-4-5-6/h2,5H2,1H3InChIKey=FXJPQTSMAWPQEA-UHFFFAOYSA-N67.1Ex 67.06(BP est) -47.43(MP est) ----(BP exp) ----(MP exp) C(CF)#C(CC) -47.4PredN
C(C)=C(C=CF)201986.1094C5H7F1-fluoropenta-1,3-dieneN136C(C)=C(C=CF)InChI=1S/C5H7F/c1-2-3-4-5-6/h2-5H,1H3InChIKey=DGSSLUGSBNCKBU-UHFFFAOYSA-N64.3Ex 64.32(BP est) -106.36(MP est) ----(BP exp) ----(MP exp) C(C)=C(C=CF) -106.4PredN
C(C=C)(C=CF)202086.1094C5H7F1-fluoropenta-1,4-dieneN136C(C=C)(C=CF)InChI=1S/C5H7F/c1-2-3-4-5-6/h2,4-5H,1,3H2InChIKey=FOYLMZUXYHEHFK-UHFFFAOYSA-N54.6Ex 54.56(BP est) -107.55(MP est) ----(BP exp) ----(MP exp) C(C=C)(C=CF) -107.6PredN
FC1C2(C1)CC2202186.1094C5H7F1-fluorospiro[2.2]pentaneN136FC1C2(C1)CC2InChI=1S/C5H7F/c6-4-3-5(4)1-2-5/h4H,1-3H2InChIKey=AWFLCBLWDVCXSQ-UHFFFAOYSA-N41.3Ex 41.28(BP est) -76.36(MP est) ----(BP exp) ----(MP exp) FC1C2(C1)CC2 -76.4PredN
C=C(CF)(C=C)202286.1094C5H7F2-(fluoromethyl)buta-1,3-dieneN136C=C(CF)(C=C)InChI=1S/C5H7F/c1-3-5(2)4-6/h3H,1-2,4H2InChIKey=JXJQGWRHEGGQKQ-UHFFFAOYSA-N37.5Ex 37.53(BP est) -117.84(MP est) ----(BP exp) ----(MP exp) C=C(CF)(C=C) -117.8PredN
C=C(C)(C(F)=C)202386.1094C5H7F2-fluoro-3-methylbuta-1,3-dieneN136C=C(C)(C(F)=C)InChI=1S/C5H7F/c1-4(2)5(3)6/h1,3H2,2H3InChIKey=YAYWOMCZHXJZEP-UHFFFAOYSA-N30.3Ex 30.33(BP est) -126.93(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(F)=C) -126.9PredN
FC1CC2CC21202486.1094C5H7F2-fluorobicyclo[2.1.0]pentaneN136FC1CC2CC21InChI=1S/C5H7F/c6-5-2-3-1-4(3)5/h3-5H,1-2H2InChIKey=XDACBZHPZDQERK-UHFFFAOYSA-N47.5Ex 47.48(BP est) -88.62(MP est) ----(BP exp) ----(MP exp) FC1CC2CC21 -88.6PredN
C(C)=C(C(F)=C)202586.1094C5H7F2-fluoropenta-1,3-dieneN136C(C)=C(C(F)=C)InChI=1S/C5H7F/c1-3-4-5(2)6/h3-4H,2H2,1H3InChIKey=PEURVEFVKWASLR-UHFFFAOYSA-N47.5Ex 47.52(BP est) -116.59(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(F)=C) -116.6PredN
C(C=C)(C(F)=C)202686.1094C5H7F2-fluoropenta-1,4-dieneN136C(C=C)(C(F)=C)InChI=1S/C5H7F/c1-3-4-5(2)6/h3H,1-2,4H2InChIKey=KAWIQBXTFGLSDJ-UHFFFAOYSA-N37.5Ex 37.53(BP est) -117.84(MP est) ----(BP exp) ----(MP exp) C(C=C)(C(F)=C) -117.8PredN
FC(C)C1C=C1202786.1094C5H7F3-(1-fluoroethyl)cycloprop-1-eneN136FC(C)C1C=C1InChI=1S/C5H7F/c1-4(6)5-2-3-5/h2-5H,1H3InChIKey=PWKPQVAZWLZGNW-UHFFFAOYSA-N40.7Ex 40.70(BP est) -106.33(MP est) ----(BP exp) ----(MP exp) FC(C)C1C=C1 -106.3PredN
FCCC1C=C1202886.1094C5H7F3-(2-fluoroethyl)cycloprop-1-eneN136FCCC1C=C1InChI=1S/C5H7F/c6-4-3-5-1-2-5/h1-2,5H,3-4H2InChIKey=FZISPSRDIHMNNL-UHFFFAOYSA-N56.3Ex 56.31(BP est) -94.27(MP est) ----(BP exp) ----(MP exp) FCCC1C=C1 -94.3PredN
CC1=CC1CF202986.1094C5H7F3-(fluoromethyl)-1-methylcycloprop-1-eneN136CC1=CC1CFInChI=1S/C5H7F/c1-4-2-5(4)3-6/h2,5H,3H2,1H3InChIKey=NMKSKOAGJJQZNV-UHFFFAOYSA-N54.1Ex 54.10(BP est) -88.66(MP est) ----(BP exp) ----(MP exp) CC1=CC1CF -88.7PredN
CC1(CF)C=C1203086.1094C5H7F3-(fluoromethyl)-3-methylcycloprop-1-eneN136CC1(CF)C=C1InChI=1S/C5H7F/c1-5(4-6)2-3-5/h2-3H,4H2,1H3InChIKey=TWCNVFUSFJLDAE-UHFFFAOYSA-N42.7Ex 42.66(BP est) -86.30(MP est) ----(BP exp) ----(MP exp) CC1(CF)C=C1 -86.3PredN
C(CF)(C1)(C=C1)203186.1094C5H7F3-(fluoromethyl)cyclobut-1-eneN136C(CF)(C1)(C=C1)InChI=1S/C5H7F/c6-4-5-2-1-3-5/h1-2,5H,3-4H2InChIKey=IEJJGQAQNNBXOF-UHFFFAOYSA-N58.7Ex 58.65(BP est) -95.35(MP est) ----(BP exp) ----(MP exp) C(CF)(C1)(C=C1) -95.4PredN
FC1=CC1CC203286.1094C5H7F3-ethyl-1-fluorocycloprop-1-eneN136FC1=CC1CCInChI=1S/C5H7F/c1-2-4-3-5(4)6/h3-4H,2H2,1H3InChIKey=RCEPUKZUUPLUFO-UHFFFAOYSA-N54.1Ex 54.10(BP est) -88.66(MP est) ----(BP exp) ----(MP exp) FC1=CC1CC -88.7PredN
FC1(CC)C=C1203386.1094C5H7F3-ethyl-3-fluorocycloprop-1-eneN136FC1(CC)C=C1InChI=1S/C5H7F/c1-2-5(6)3-4-5/h3-4H,2H2,1H3InChIKey=ZZRJHGFYLBFBEG-UHFFFAOYSA-N42.7Ex 42.66(BP est) -86.30(MP est) ----(BP exp) ----(MP exp) FC1(CC)C=C1 -86.3PredN
CC(C1F)=C1C203486.1094C5H7F3-fluoro-1,2-dimethylcycloprop-1-eneN136CC(C1F)=C1CInChI=1S/C5H7F/c1-3-4(2)5(3)6/h5H,1-2H3InChIKey=DOPYADXVKNPQOY-UHFFFAOYSA-N51.9Ex 51.89(BP est) -83.04(MP est) ----(BP exp) ----(MP exp) CC(C1F)=C1C -83PredN
CC1=CC1(C)F203586.1094C5H7F3-fluoro-1,3-dimethylcycloprop-1-eneN136CC1=CC1(C)FInChI=1S/C5H7F/c1-4-3-5(4,2)6/h3H,1-2H3InChIKey=AKDKYMGDUIRVGB-UHFFFAOYSA-N40.4Ex 40.42(BP est) -80.70(MP est) ----(BP exp) ----(MP exp) CC1=CC1(C)F -80.7PredN
C(C1F)=C(C)(C1)203686.1094C5H7F3-fluoro-1-methylcyclobut-1-eneN136C(C1F)=C(C)(C1)InChI=1S/C5H7F/c1-4-2-5(6)3-4/h2,5H,3H2,1H3InChIKey=PTJKNWOPCUOHJT-UHFFFAOYSA-N56.5Ex 56.46(BP est) -89.73(MP est) ----(BP exp) ----(MP exp) C(C1F)=C(C)(C1) -89.7PredN
C(F)(C)(C)(C#C)203786.1094C5H7F3-fluoro-3-methylbut-1-yneN136C(F)(C)(C)(C#C)InChI=1S/C5H7F/c1-4-5(2,3)6/h1H,2-3H3InChIKey=JVNFRNRYLLRJNE-UHFFFAOYSA-N31.6Ex 31.57(BP est) -86.15(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(C#C) -86.2PredN
C(F)(C)(C1)(C=C1)203886.1094C5H7F3-fluoro-3-methylcyclobut-1-eneN136C(F)(C)(C1)(C=C1)InChI=1S/C5H7F/c1-5(6)3-2-4-5/h2-3H,4H2,1H3InChIKey=RZUADORCKHFHSV-UHFFFAOYSA-N45.1Ex 45.05(BP est) -87.37(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C1)(C=C1) -87.4PredN
C(C)(C1F)(C=C1)203986.1094C5H7F3-fluoro-4-methylcyclobut-1-eneN136C(C)(C1F)(C=C1)InChI=1S/C5H7F/c1-4-2-3-5(4)6/h2-5H,1H3InChIKey=HSZWGSRENRPJFI-UHFFFAOYSA-N51.2Ex 51.21(BP est) -99.64(MP est) ----(BP exp) ----(MP exp) C(C)(C1F)(C=C1) -99.6PredN
C(CC1F)(C=C1)204086.1094C5H7F3-fluorocyclopent-1-eneN136C(CC1F)(C=C1)InChI=1S/C5H7F/c6-5-3-1-2-4-5/h1,3,5H,2,4H2InChIKey=OPNSNMMOWIYFLI-UHFFFAOYSA-N61.0Ex 60.99(BP est) -96.43(MP est) ----(BP exp) ----(MP exp) C(CC1F)(C=C1) -96.4PredN
C(C)(C(F)C#C)204186.1094C5H7F3-fluoropent-1-yneN136C(C)(C(F)C#C)InChI=1S/C5H7F/c1-3-5(6)4-2/h1,5H,4H2,2H3InChIKey=VAYLATLUHDOIAZ-UHFFFAOYSA-N42.0Ex 42.00(BP est) -91.82(MP est) ----(BP exp) ----(MP exp) C(C)(C(F)C#C) -91.8PredN
C(C)=C(F)(C=C)204286.1094C5H7F3-fluoropenta-1,3-dieneN136C(C)=C(F)(C=C)InChI=1S/C5H7F/c1-3-5(6)4-2/h3-4H,1H2,2H3InChIKey=SVCCACWBOHRDCH-UHFFFAOYSA-N47.5Ex 47.52(BP est) -116.59(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(C=C) -116.6PredN
C(F)(C=C)(C=C)204386.1094C5H7F3-fluoropenta-1,4-dieneN136C(F)(C=C)(C=C)InChI=1S/C5H7F/c1-3-5(6)4-2/h3-5H,1-2H2InChIKey=DVOYBAVNEYKMGS-UHFFFAOYSA-N28.8Ex 28.81(BP est) -120.91(MP est) ----(BP exp) ----(MP exp) C(F)(C=C)(C=C) -120.9PredN
C(C1)=C(C)(C1F)204486.1094C5H7F4-fluoro-1-methylcyclobut-1-eneN136C(C1)=C(C)(C1F)InChI=1S/C5H7F/c1-4-2-3-5(4)6/h2,5H,3H2,1H3InChIKey=ZAUCNLDZLILXEY-UHFFFAOYSA-N56.5Ex 56.46(BP est) -89.73(MP est) ----(BP exp) ----(MP exp) C(C1)=C(C)(C1F) -89.7PredN
C(C)(CF)(C#C)204586.1094C5H7F4-fluoro-3-methylbut-1-yneN136C(C)(CF)(C#C)InChI=1S/C5H7F/c1-3-5(2)4-6/h1,5H,4H2,2H3InChIKey=YWFSRXZVROEBOV-UHFFFAOYSA-N42.0Ex 42.00(BP est) -91.82(MP est) ----(BP exp) ----(MP exp) C(C)(CF)(C#C) -91.8PredN
C(C(F)C1)(C=C1)204686.1094C5H7F4-fluorocyclopent-1-eneN136C(C(F)C1)(C=C1)InChI=1S/C5H7F/c6-5-3-1-2-4-5/h1-2,5H,3-4H2InChIKey=UDOXCSBPIYZHIV-UHFFFAOYSA-N61.0Ex 60.99(BP est) -96.43(MP est) ----(BP exp) ----(MP exp) C(C(F)C1)(C=C1) -96.4PredN
C(F)(C)(CC#C)204786.1094C5H7F4-fluoropent-1-yneN136C(F)(C)(CC#C)InChI=1S/C5H7F/c1-3-4-5(2)6/h1,5H,4H2,2H3InChIKey=NVSHTDHEJUESKS-UHFFFAOYSA-N42.0Ex 42.00(BP est) -91.82(MP est) ----(BP exp) ----(MP exp) C(F)(C)(CC#C) -91.8PredN
C(C)#C(C(F)C)204886.1094C5H7F4-fluoropent-2-yneN136C(C)#C(C(F)C)InChI=1S/C5H7F/c1-3-4-5(2)6/h5H,1-2H3InChIKey=AABHUMDMWJKNNJ-UHFFFAOYSA-N51.7Ex 51.68(BP est) -59.42(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(F)C) -59.4PredN
C(F)(C)=C(C=C)204986.1094C5H7F4-fluoropenta-1,3-dieneN136C(F)(C)=C(C=C)InChI=1S/C5H7F/c1-3-4-5(2)6/h3-4H,1H2,2H3InChIKey=UKDBVQNIUOHCEX-UHFFFAOYSA-N47.5Ex 47.52(BP est) -116.59(MP est) ----(BP exp) ----(MP exp) C(F)(C)=C(C=C) -116.6PredN
FC1C2C1CC2205086.1094C5H7F5-fluorobicyclo[2.1.0]pentaneN136FC1C2C1CC2InChI=1S/C5H7F/c6-5-3-1-2-4(3)5/h3-5H,1-2H2InChIKey=HEGCOFUSSMLSIC-UHFFFAOYSA-N47.5Ex 47.48(BP est) -88.62(MP est) ----(BP exp) ----(MP exp) FC1C2C1CC2 -88.6PredN
C(CF)(CC#C)205186.1094C5H7F5-fluoropent-1-yneN136C(CF)(CC#C)InChI=1S/C5H7F/c1-2-3-4-5-6/h1H,3-5H2InChIKey=MXYUEMWMHJSSSJ-UHFFFAOYSA-N57.6Ex 57.58(BP est) -79.77(MP est) ----(BP exp) ----(MP exp) C(CF)(CC#C) -79.8PredN
C(C)#C(CCF)205286.1094C5H7F5-fluoropent-2-yneN136C(C)#C(CCF)InChI=1S/C5H7F/c1-2-3-4-5-6/h4-5H2,1H3InChIKey=YUCVXLZYMGHESJ-UHFFFAOYSA-N67.1Ex 67.06(BP est) -47.43(MP est) ----(BP exp) ----(MP exp) C(C)#C(CCF) -47.4PredN
C(CF)=C(C=C)205386.1094C5H7F5-fluoropenta-1,3-dieneN136C(CF)=C(C=C)InChI=1S/C5H7F/c1-2-3-4-5-6/h2-4H,1,5H2InChIKey=ZCMGJTUIICMSQV-UHFFFAOYSA-N54.6Ex 54.56(BP est) -107.55(MP est) ----(BP exp) ----(MP exp) C(CF)=C(C=C) -107.6PredN
C1=CSN=N1205486.112C2H2N2S1,2,3-thiadiazoleN75C1=CSN=N1InChI=1S/C2H2N2S/c1-2-5-4-3-1/h1-2HInChIKey=UGUHFDPGDQDVGX-UHFFFAOYSA-N184.7Ex 184.65(BP est) 14.70(MP est) ----(BP exp) ----(MP exp) C1=CSN=N1 14.7PredN
N1=CSN=C1205586.112C2H2N2S1,2,4-thiadiazoleN75N1=CSN=C1InChI=1S/C2H2N2S/c1-3-2-5-4-1/h1-2HInChIKey=YGTAZGSLCXNBQL-UHFFFAOYSA-N121.0Ex 135.55(BP est) 20.91(MP est) ----(BP exp) ----(MP exp) N1=CSN=C1 20.9PredN
N1=CC=NS1205686.112C2H2N2S1,2,5-thiadiazoleN75N1=CC=NS1InChI=1S/C2H2N2S/c1-2-4-5-3-1/h1-2HInChIKey=UDGKZGLPXCRRAM-UHFFFAOYSA-N135.6Ex 135.55(BP est) 20.91(MP est) ----(BP exp) ----(MP exp) N1=CC=NS1 20.9PredN
C1=NN=CS1205786.112C2H2N2S1,3,4-thiadiazoleN75C1=NN=CS1InChI=1S/C2H2N2S/c1-3-4-2-5-1/h1-2HInChIKey=MBIZXFATKUQOOA-UHFFFAOYSA-N184.7Ex 184.65(BP est) 14.70(MP est) ----(BP exp) ----(MP exp) C1=NN=CS1 14.7PredN
S=C(C#N)N205886.112C2H2N2Scarbamothioyl cyanideN75S=C(C#N)NInChI=1S/C2H2N2S/c3-1-2(4)5/h(H2,4,5)InChIKey=TYTIZKNBXNGILL-UHFFFAOYSA-N206.7Ex 206.66(BP est) 26.71(MP est) ----(BP exp) ----(MP exp) S=C(C#N)N 26.7PredN
OCC1(CC1)C205986.134C5H10O(1-methylcyclopropyl)methanolN166OCC1(CC1)CInChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3InChIKey=PIZQWRXTMGASCZ-UHFFFAOYSA-N128.8Ex 128.82(BP est) -31.42(MP est) ----(BP exp) ----(MP exp) OCC1(CC1)C -31.4PredN
OCC1C(C)C1206086.134C5H10O(2-methylcyclopropyl)methanolN166OCC1C(C)C1InChI=1S/C5H10O/c1-4-2-5(4)3-6/h4-6H,2-3H2,1H3InChIKey=SHEINYPABNPRPM-UHFFFAOYSA-N134.2Ex 134.24(BP est) -43.90(MP est) ----(BP exp) ----(MP exp) OCC1C(C)C1 -43.9PredN
COCC1CC1206186.134C5H10O(methoxymethyl)cyclopropaneN166COCC1CC1InChI=1S/C5H10O/c1-6-4-5-2-3-5/h5H,2-4H2,1H3InChIKey=XZUHEKNCBBQEBT-UHFFFAOYSA-N76.8Ex 76.75(BP est) -77.86(MP est) ----(BP exp) ----(MP exp) COCC1CC1 -77.9PredN
CCCOC=C206286.134C5H10O1-(vinyloxy)propaneN166CCCOC=CInChI=1S/C5H10O/c1-3-5-6-4-2/h4H,2-3,5H2,1H3InChIKey=OVGRCEFMXPHEBL-UHFFFAOYSA-N65.0Ex 70.63(BP est) -89.50(MP est) 65.00(BP exp) ----(MP exp) CCCOC=C -89.5PredN
OC1(C)C(C)C1206386.134C5H10O1,2-dimethylcyclopropan-1-olN166OC1(C)C(C)C1InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3InChIKey=LLRXHYJWGRSYIZ-UHFFFAOYSA-N103.5Ex 103.54(BP est) -40.92(MP est) ----(BP exp) ----(MP exp) OC1(C)C(C)C1 -40.9PredN
OC(C1CC1)C206486.134C5H10O1-cyclopropylethan-1-olN166OC(C1CC1)CInChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3InChIKey=DKKVKJZXOBFLRY-UHFFFAOYSA-N123.5Ex 119.62(BP est) -53.55(MP est) 123.50(BP exp) -32.10(MP exp) OC(C1CC1)C -32.1ExptN
CCOC=CC206586.134C5H10O1-ethoxyprop-1-eneN166CCOC=CCInChI=1S/C5H10O/c1-3-5-6-4-2/h3,5H,4H2,1-2H3InChIKey=XDHOEHJVXXTEDV-UHFFFAOYSA-N68.7Ex 80.18(BP est) -88.37(MP est) 67.00(BP exp) ----(MP exp) CCOC=CC -88.4PredY(Sun et al. 2012)
OC1(CC)CC1206686.134C5H10O1-ethylcyclopropan-1-olN166OC1(CC)CC1InChI=1S/C5H10O/c1-2-5(6)3-4-5/h6H,2-4H2,1H3InChIKey=XZUJSRYCYMMXFZ-UHFFFAOYSA-N110.4Ex 110.43(BP est) -36.79(MP est) ----(BP exp) ----(MP exp) OC1(CC)CC1 -36.8PredN
COC1(CC1)C206786.134C5H10O1-methoxy-1-methylcyclopropaneN166COC1(CC1)CInChI=1S/C5H10O/c1-5(6-2)3-4-5/h3-4H2,1-2H3InChIKey=QSSQIMMDYFQNKI-UHFFFAOYSA-N63.5Ex 63.50(BP est) -69.78(MP est) ----(BP exp) ----(MP exp) COC1(CC1)C -69.8PredN
COC=C(C)C206886.134C5H10O1-methoxy-2-methylprop-1-eneN166COC=C(C)CInChI=1S/C5H10O/c1-5(2)4-6-3/h4H,1-3H3InChIKey=HHHSZBNXXGKYHH-UHFFFAOYSA-N71.8Ex 73.39(BP est) -97.34(MP est) ----(BP exp) ----(MP exp) COC=C(C)C -97.3PredN
COC=CCC206986.134C5H10O1-methoxybut-1-eneN166COC=CCCInChI=1S/C5H10O/c1-3-4-5-6-2/h4-5H,3H2,1-2H3InChIKey=KMQWOHBEYVPGQJ-UHFFFAOYSA-N76.0Ex 80.18(BP est) -88.37(MP est) ----(BP exp) ----(MP exp) COC=CCC -88.4PredN
OC1(CCC1)C207086.134C5H10O1-methylcyclobutan-1-olN166OC1(CCC1)CInChI=1S/C5H10O/c1-5(6)3-2-4-5/h6H,2-4H2,1H3InChIKey=DQWVUKFABWSFJD-UHFFFAOYSA-N118.2Ex 112.59(BP est) -37.92(MP est) ----(BP exp) ----(MP exp) OC1(CCC1)C -37.9PredN
CC(OC=C)C207186.134C5H10O2-(vinyloxy)propaneN166CC(OC=C)CInChI=1S/C5H10O/c1-4-6-5(2)3/h4-5H,1H2,2-3H3InChIKey=GNUGVECARVKIPH-UHFFFAOYSA-N55.4Ex 55.33(BP est) -101.47(MP est) 55.50(BP exp) -140.00(MP exp) CC(OC=C)C -140ExptY(de Lacy Costello et al. 2014)
CC1C(C)(C)O1207286.134C5H10O2,2,3-trimethyloxiraneN166CC1C(C)(C)O1InChI=1S/C5H10O/c1-4-5(2,3)6-4/h4H,1-3H3InChIKey=QPBYBLZYMNWGMO-UHFFFAOYSA-N73.9Ex 62.01(BP est) -70.17(MP est) ----(BP exp) ----(MP exp) CC1C(C)(C)O1 -70.2PredN
CC1(C)OCC1207386.134C5H10O2,2-dimethyloxetaneN166CC1(C)OCC1InChI=1S/C5H10O/c1-5(2)3-4-6-5/h3-4H2,1-2H3InChIKey=XHYFCIYCSYEDCP-UHFFFAOYSA-N71.0Ex 71.64(BP est) -67.00(MP est) ----(BP exp) ----(MP exp) CC1(C)OCC1 -67PredN
CC1OCC1C207486.134C5H10O2,3-dimethyloxetaneN166CC1OCC1CInChI=1S/C5H10O/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3InChIKey=CIPFOSRMMVMZPR-UHFFFAOYSA-N77.6Ex 77.57(BP est) -79.33(MP est) ----(BP exp) ----(MP exp) CC1OCC1C -79.3PredN
CC1CC(C)O1207586.134C5H10O2,4-dimethyloxetaneN166CC1CC(C)O1InChI=1S/C5H10O/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3InChIKey=KPPWZEMUMPFHEX-UHFFFAOYSA-N71.0Ex 77.57(BP est) -79.33(MP est) ----(BP exp) ----(MP exp) CC1CC(C)O1 -79.3PredN
OCCC1CC1207686.134C5H10O2-cyclopropylethan-1-olN166OCCC1CC1InChI=1S/C5H10O/c6-4-3-5-1-2-5/h5-6H,1-4H2InChIKey=LUNMJRJMSXZSLC-UHFFFAOYSA-N140.8Ex 140.78(BP est) -39.87(MP est) ----(BP exp) ----(MP exp) OCCC1CC1 -39.9PredN
CCOC(C)=C207786.134C5H10O2-ethoxyprop-1-eneN166CCOC(C)=CInChI=1S/C5H10O/c1-4-6-5(2)3/h2,4H2,1,3H3InChIKey=FSGHEPDRMHVUCQ-UHFFFAOYSA-N63.2Ex 63.75(BP est) -98.49(MP est) ----(BP exp) ----(MP exp) CCOC(C)=C -98.5PredN
CC1(CC)CO1207886.134C5H10O2-ethyl-2-methyloxiraneN166CC1(CC)CO1InChI=1S/C5H10O/c1-3-5(2)4-6-5/h3-4H2,1-2H3InChIKey=QZXUQPKFNQQQAJ-UHFFFAOYSA-N81.0Ex 69.34(BP est) -65.91(MP est) ----(BP exp) ----(MP exp) CC1(CC)CO1 -65.9PredN
CC1C(CC)O1207986.134C5H10O2-ethyl-3-methyloxiraneN166CC1C(CC)O1InChI=1S/C5H10O/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3InChIKey=BCJPEZMFAKOJPM-UHFFFAOYSA-N81.0Ex 75.29(BP est) -78.24(MP est) ----(BP exp) ----(MP exp) CC1C(CC)O1 -78.2PredN
CCC1OCC1208086.134C5H10O2-ethyloxetaneN166CCC1OCC1InChI=1S/C5H10O/c1-2-5-3-4-6-5/h5H,2-4H2,1H3InChIKey=GDHROTCPZLVPJT-UHFFFAOYSA-N84.7Ex 84.74(BP est) -75.12(MP est) ----(BP exp) ----(MP exp) CCC1OCC1 -75.1PredN
CC(C)C1OC1208186.134C5H10O2-isopropyloxiraneN166CC(C)C1OC1InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3InChIKey=REYZXWIIUPKFTI-UHFFFAOYSA-N67.4Ex 67.44(BP est) -85.91(MP est) ----(BP exp) ----(MP exp) CC(C)C1OC1 -85.9PredN
COC(CC)=C208286.134C5H10O2-methoxybut-1-eneN166COC(CC)=CInChI=1S/C5H10O/c1-4-5(2)6-3/h2,4H2,1,3H3InChIKey=TXTDTCYVDJMLRP-UHFFFAOYSA-N68.0Ex 63.75(BP est) -98.49(MP est) ----(BP exp) ----(MP exp) COC(CC)=C -98.5PredN
COC(C)=CC208386.134C5H10O2-methoxybut-2-eneN166COC(C)=CCInChI=1S/C5H10O/c1-4-5(2)6-3/h4H,1-3H3InChIKey=JWBPCSXRWORRAI-UHFFFAOYSA-N73.4Ex 73.39(BP est) -97.34(MP est) ----(BP exp) ----(MP exp) COC(C)=CC -97.3PredN
OCC(C=C)C208486.134C5H10O2-methylbut-3-en-1-olN166OCC(C=C)CInChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3InChIKey=NVGOATMUHKIQQG-UHFFFAOYSA-N120.5Ex 121.44(BP est) -62.87(MP est) ----(BP exp) ----(MP exp) OCC(C=C)C -62.9PredY(Mozga et al. 2009, Mozga et al. 2009)
OC(C)(C=C)C208586.134C5H10O2-methylbut-3-en-2-olN166OC(C)(C=C)CInChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3InChIKey=HNVRRHSXBLFLIG-UHFFFAOYSA-N97.8Ex 93.27(BP est) -62.39(MP est) 97.00(BP exp) -28.00(MP exp) OC(C)(C=C)C -28ExptY(Cho et al. 2008, Irwin et al. 2012, DNP 2017)
O=CC(CC)C208686.134C5H10O2-methylbutanalN166O=CC(CC)CInChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3InChIKey=BYGQBDHUGHBGMD-UHFFFAOYSA-N91.1Ex 94.52(BP est) -79.26(MP est) ----(BP exp) 91.00(MP exp) O=CC(CC)C 91ExptY(Cha and Cadwallader 1995, Diaz et al. 2002, DNP 2017)
OC1CCC1C208786.134C5H10O2-methylcyclobutan-1-olN166OC1CCC1CInChI=1S/C5H10O/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3InChIKey=HVPLFSASJVVSHR-UHFFFAOYSA-N129.0Ex 128.96(BP est) -47.21(MP est) ----(BP exp) ----(MP exp) OC1CCC1C -47.2PredY(Nishimura et al. 1977)
CC1OCCC1208886.134C5H10O2-methyltetrahydrofuranN166CC1OCCC1InChI=1S/C5H10O/c1-5-3-2-4-6-5/h5H,2-4H2,1H3InChIKey=JWUJQDFVADABEY-UHFFFAOYSA-N79.5Ex 86.99(BP est) -76.22(MP est) 78.00(BP exp) ----(MP exp) CC1OCCC1 -76.2PredY(de Lacy Costello et al. 2014)
CCCC1CO1208986.134C5H10O2-propyloxiraneN166CCCC1CO1InChI=1S/C5H10O/c1-2-3-5-4-6-5/h5H,2-4H2,1H3InChIKey=SYURNNNQIFDVCA-UHFFFAOYSA-N89.5Ex 82.48(BP est) -74.02(MP est) ----(BP exp) ----(MP exp) CCCC1CO1 -74PredN
CC1(C)COC1209086.134C5H10O3,3-dimethyloxetaneN166CC1(C)COC1InChI=1S/C5H10O/c1-5(2)3-6-4-5/h3-4H2,1-2H3InChIKey=RVGLUKRYMXEQAH-UHFFFAOYSA-N80.3Ex 71.64(BP est) -67.00(MP est) 80.60(BP exp) ----(MP exp) CC1(C)COC1 -67PredY(de Lacy Costello et al. 2014)
CCOCC=C209186.134C5H10O3-ethoxyprop-1-eneN166CCOCC=CInChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3InChIKey=OJPSFJLSZZTSDF-UHFFFAOYSA-N67.5Ex 70.63(BP est) -89.50(MP est) 67.60(BP exp) ----(MP exp) CCOCC=C -89.5PredN
CCC1COC1209286.134C5H10O3-ethyloxetaneN166CCC1COC1InChI=1S/C5H10O/c1-2-5-3-6-4-5/h5H,2-4H2,1H3InChIKey=CGRJJOYCFCCGPX-UHFFFAOYSA-N84.7Ex 84.74(BP est) -75.12(MP est) ----(BP exp) ----(MP exp) CCC1COC1 -75.1PredN
C=C(C)COC209386.134C5H10O3-methoxy-2-methylprop-1-eneN166C=C(C)COCInChI=1S/C5H10O/c1-5(2)4-6-3/h1,4H2,2-3H3InChIKey=IFUHHVOEHBXDPB-UHFFFAOYSA-N67.1Ex 63.75(BP est) -98.49(MP est) 68.00(BP exp) ----(MP exp) C=C(C)COC -98.5PredN
COC(C=C)C209486.134C5H10O3-methoxybut-1-eneN166COC(C=C)CInChI=1S/C5H10O/c1-4-5(2)6-3/h4-5H,1H2,2-3H3InChIKey=MALHZSOXIOUUQH-UHFFFAOYSA-N55.0Ex 55.33(BP est) -101.47(MP est) ----(BP exp) ----(MP exp) COC(C=C)C -101.5PredN
C/C(C)=C\CO209586.134C5H10O3-methylbut-2-en-1-olN166C/C(C)=C\COInChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3InChIKey=ASUAYTHWZCLXAN-UHFFFAOYSA-N140.0Ex 137.75(BP est) -59.25(MP est) 140.00(BP exp) ----(MP exp) C/C(C)=C\CO -59.3PredY(JÜTtner et al. 1983, Irwin et al. 2012, Li et al. 2012)
C=C(C)CCO209686.134C5H10O3-methylbut-3-en-1-olN166C=C(C)CCOInChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3InChIKey=CPJRRXSHAYUTGL-UHFFFAOYSA-N130.9Ex 129.04(BP est) -60.13(MP est) 132.00(BP exp) ----(MP exp) C=C(C)CCO -60.1PredY(Braja et al. 1993, Irwin et al. 2012, Li et al. 2012, DNP 2017)
CC(O)C(C)=C209786.134C5H10O3-methylbut-3-en-2-olN166CC(O)C(C)=CInChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3InChIKey=JEYLKNVLTAPJAF-UHFFFAOYSA-N116.5Ex 107.44(BP est) -73.94(MP est) 114.00(BP exp) ----(MP exp) CC(O)C(C)=C -73.9PredY(Wishart et al. 2013)
CC(C(C)C)=O209886.134C5H10O3-methylbutan-2-oneN166CC(C(C)C)=OInChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3InChIKey=SYBYTAAJFKOIEJ-UHFFFAOYSA-N93.3Ex 80.27(BP est) -79.46(MP est) 94.30(BP exp) -92.00(MP exp) CC(C(C)C)=O -92ExptY(Fox and Wallace. 1997, Irwin et al. 2012)
O=CCC(C)C209986.134C5H10O3-methylbutanalN166O=CCC(C)CInChI=1S/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3InChIKey=YGHRJJRRZDOVPD-UHFFFAOYSA-N92.6Ex 94.52(BP est) -79.26(MP est) 92.50(BP exp) -51.00(MP exp) O=CCC(C)C -51ExptY(Ron and Louisa 1993, Diaz et al. 2002, Irwin et al. 2012)
OC1CC(C)C1210086.134C5H10O3-methylcyclobutan-1-olN166OC1CC(C)C1InChI=1S/C5H10O/c1-4-2-5(6)3-4/h4-6H,2-3H2,1H3InChIKey=BIAAEVYMOVFZDJ-UHFFFAOYSA-N129.0Ex 128.96(BP est) -47.21(MP est) ----(BP exp) ----(MP exp) OC1CC(C)C1 -47.2PredN
CC1COCC1210186.134C5H10O3-methyltetrahydrofuranN166CC1COCC1InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3InChIKey=LJPCNSSTRWGCMZ-UHFFFAOYSA-N112.2Ex 86.99(BP est) -76.22(MP est) 86.50(BP exp) ----(MP exp) CC1COCC1 -76.2PredN
COCCC=C210286.134C5H10O4-methoxybut-1-eneN166COCCC=CInChI=1S/C5H10O/c1-3-4-5-6-2/h3H,1,4-5H2,2H3InChIKey=VDTUJQCSPFYIKZ-UHFFFAOYSA-N70.0Ex 70.63(BP est) -89.50(MP est) ----(BP exp) ----(MP exp) COCCC=C -89.5PredN
OCC1CCC1210386.134C5H10OcyclobutylmethanolN166OCC1CCC1InChI=1S/C5H10O/c6-4-5-2-1-3-5/h5-6H,1-4H2InChIKey=WPOPOPFNZYPKAV-UHFFFAOYSA-N141.8Ex 142.84(BP est) -41.03(MP est) ----(BP exp) ----(MP exp) OCC1CCC1 -41PredN
OC1CCCC1210486.134C5H10OcyclopentanolN166OC1CCCC1InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2InChIKey=XCIXKGXIYUWCLL-UHFFFAOYSA-N140.0Ex 137.63(BP est) -44.31(MP est) 140.40(BP exp) -19.00(MP exp) OC1CCCC1 -19ExptY(Cha and Cadwallader 1995)
CCOC1CC1210586.134C5H10OethoxycyclopropaneN166CCOC1CC1InChI=1S/C5H10O/c1-2-6-5-3-4-5/h5H,2-4H2,1H3InChIKey=LZTCEQQSARXBHE-UHFFFAOYSA-N68.0Ex 76.75(BP est) -77.86(MP est) ----(BP exp) ----(MP exp) CCOC1CC1 -77.9PredN
COC1CCC1210686.134C5H10OmethoxycyclobutaneN166COC1CCC1InChI=1S/C5H10O/c1-6-5-3-2-4-5/h5H,2-4H2,1H3InChIKey=GDTFIRYHAYIXIP-UHFFFAOYSA-N79.0Ex 79.03(BP est) -78.96(MP est) ----(BP exp) ----(MP exp) COC1CCC1 -79PredN
OC(C=C)CC210786.134C5H10Opent-1-en-3-olN166OC(C=C)CCInChI=1S/C5H10O/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3InChIKey=VHVMXWZXFBOANQ-UHFFFAOYSA-N115.0Ex 113.89(BP est) -65.08(MP est) 115.00(BP exp) ----(MP exp) OC(C=C)CC -65.1PredY(Cha and Cadwallader 1995, Kakumyan and Matsui 2009, Irwin et al. 2012, DNP 2017)
CC/C=C\CO210886.134C5H10Opent-2-en-1-olN166CC/C=C\COInChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3InChIKey=BTSIZIIPFNVMHF-UHFFFAOYSA-N137.9Ex 143.87(BP est) -50.48(MP est) 138.00(BP exp) ----(MP exp) CC/C=C\CO -50.5PredY(Kakumyan and Matsui 2009, Sun et al. 2012, DNP 2017)
OCC/C=C\C210986.134C5H10Opent-3-en-1-olN166OCC/C=C\CInChI=1S/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3InChIKey=FSUXYWPILZJGCC-UHFFFAOYSA-N138.3Ex 143.87(BP est) -50.48(MP est) ----(BP exp) ----(MP exp) OCC/C=C\C -50.5PredY(El-Sayed 2014)
CC(O)/C=C/C211086.134C5H10Opent-3-en-2-olN166CC(O)/C=C/CInChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3InChIKey=GJYMQFMQRRNLCY-UHFFFAOYSA-N159.4Ex 122.82(BP est) -64.13(MP est) ----(BP exp) ----(MP exp) CC(O)/C=C/C -64.1PredY(Cho et al. 2008, Mozga et al. 2009)
OCCCC=C211186.134C5H10Opent-4-en-1-olN166OCCCC=CInChI=1S/C5H10O/c1-2-3-4-5-6/h2,6H,1,3-5H2InChIKey=LQAVWYMTUMSFBE-UHFFFAOYSA-N136.6Ex 135.26(BP est) -51.34(MP est) 141.00(BP exp) ----(MP exp) OCCCC=C -51.3PredY(El-Sayed 2014)
OC(CC=C)C211286.134C5H10Opent-4-en-2-olN166OC(CC=C)CInChI=1S/C5H10O/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3InChIKey=ZHZCYWWNFQUZOR-UHFFFAOYSA-N115.6Ex 113.89(BP est) -65.08(MP est) 116.00(BP exp) ----(MP exp) OC(CC=C)C -65.1PredY(Zeringue and Mccormick 1989, Wheatley et al. 1997, Ruse et al. 2012)
CC(CCC)=O211386.134C5H10Opentan-2-oneN166CC(CCC)=OInChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3InChIKey=XNLICIUVMPYHGG-UHFFFAOYSA-N102.0Ex 95.03(BP est) -67.65(MP est) 102.20(BP exp) -76.90(MP exp) CC(CCC)=O -76.9ExptY(Jollivet et al. 1993, Duque et al. 2001, Irwin et al. 2012, DNP 2017)
CCC(CC)=O211486.134C5H10Opentan-3-oneN166CCC(CC)=OInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3InChIKey=FDPIMTJIUBPUKL-UHFFFAOYSA-N101.8Ex 95.03(BP est) -67.65(MP est) 101.90(BP exp) -39.00(MP exp) CCC(CC)=O -39ExptY(Buttery and Ling 1993, Ron and Louisa 1993)
O=CCCCC211586.134C5H10OpentanalN166O=CCCCCInChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3InChIKey=HGBOYTHUEUWSSQ-UHFFFAOYSA-N102.8Ex 108.96(BP est) -67.54(MP est) 103.00(BP exp) -91.50(MP exp) O=CCCCC -91.5ExptY(Ron and Louisa 1993, Feng et al. 2007, Irwin et al. 2012, DNP 2017)
O=CC(C)(C)C211686.134C5H10OpivalaldehydeN166O=CC(C)(C)CInChI=1S/C5H10O/c1-5(2,3)4-6/h4H,1-3H3InChIKey=FJJYHTVHBVXEEQ-UHFFFAOYSA-N74.0Ex 84.84(BP est) -73.38(MP est) 77.50(BP exp) 6.00(MP exp) O=CC(C)(C)C 6ExptY(Gu et al. 2013)
C1CCCCO1211786.134C5H10Otetrahydro-2H-pyranN166C1CCCCO1InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2InChIKey=DHXVGJBLRPWPCS-UHFFFAOYSA-N88.0Ex 96.28(BP est) -73.15(MP est) 88.00(BP exp) -45.00(MP exp) C1CCCCO1 -45ExptN
NNC1(CC1)C211886.138C4H10N2(1-methylcyclopropyl)hydrazineN166NNC1(CC1)CInChI=1S/C4H10N2/c1-4(6-5)2-3-4/h6H,2-3,5H2,1H3InChIKey=CYEKPWVHQSJODM-UHFFFAOYSA-N123.7Ex 123.67(BP est) -1.01(MP est) ----(BP exp) ----(MP exp) NNC1(CC1)C -1PredN
NNCC(C)=C211986.138C4H10N2(2-methylallyl)hydrazineN166NNCC(C)=CInChI=1S/C4H10N2/c1-4(2)3-6-5/h6H,1,3,5H2,2H3InChIKey=WKWPTGYQIHKPSJ-UHFFFAOYSA-N123.9Ex 123.90(BP est) -29.72(MP est) ----(BP exp) ----(MP exp) NNCC(C)=C -29.7PredN
NNCC1CC1212086.138C4H10N2(cyclopropylmethyl)hydrazineN166NNCC1CC1InChI=1S/C4H10N2/c5-6-3-4-1-2-4/h4,6H,1-3,5H2InChIKey=FBFGFCAGFFHMPG-UHFFFAOYSA-N135.7Ex 135.74(BP est) -9.43(MP est) ----(BP exp) ----(MP exp) NNCC1CC1 -9.4PredN
NC1(CN)CC1212186.138C4H10N21-(aminomethyl)cyclopropan-1-amineN166NC1(CN)CC1InChI=1S/C4H10N2/c5-3-4(6)1-2-4/h1-3,5-6H2InChIKey=JATTWGKYNBEIMH-UHFFFAOYSA-N141.5Ex 141.47(BP est) 19.49(MP est) ----(BP exp) ----(MP exp) NC1(CN)CC1 19.5PredN
CN(N)CC=C212286.138C4H10N21-allyl-1-methylhydrazineN166CN(N)CC=CInChI=1S/C4H10N2/c1-3-4-6(2)5/h3H,1,4-5H2,2H3InChIKey=MTHGBQGOPUDWHI-UHFFFAOYSA-N109.3Ex 109.28(BP est) -37.10(MP est) ----(BP exp) ----(MP exp) CN(N)CC=C -37.1PredN
CNNCC=C212386.138C4H10N21-allyl-2-methylhydrazineN166CNNCC=CInChI=1S/C4H10N2/c1-3-4-6-5-2/h3,5-6H,1,4H2,2H3InChIKey=ZNBBIGGUMKBSPJ-UHFFFAOYSA-N112.0Ex 112.01(BP est) -41.51(MP est) ----(BP exp) ----(MP exp) CNNCC=C -41.5PredN
CN(N)C1CC1212486.138C4H10N21-cyclopropyl-1-methylhydrazineN166CN(N)C1CC1InChI=1S/C4H10N2/c1-6(5)4-2-3-4/h4H,2-3,5H2,1H3InChIKey=JYQKJYDDOGBPOA-UHFFFAOYSA-N115.1Ex 115.05(BP est) -25.57(MP est) ----(BP exp) ----(MP exp) CN(N)C1CC1 -25.6PredN
CNNC1CC1212586.138C4H10N21-cyclopropyl-2-methylhydrazineN166CNNC1CC1InChI=1S/C4H10N2/c1-5-6-4-2-3-4/h4-6H,2-3H2,1H3InChIKey=UAZAIRDZEQJDMU-UHFFFAOYSA-N117.8Ex 117.76(BP est) -29.98(MP est) ----(BP exp) ----(MP exp) CNNC1CC1 -30PredN
NC1CN(C)C1212686.138C4H10N21-methylazetidin-3-amineN166NC1CN(C)C1InChI=1S/C4H10N2/c1-6-2-4(5)3-6/h4H,2-3,5H2,1H3InChIKey=BIWZYRJXBPPLLA-UHFFFAOYSA-N121.8Ex 121.78(BP est) -5.52(MP est) ----(BP exp) ----(MP exp) NC1CN(C)C1 -5.5PredN
NCCN1CC1212786.138C4H10N22-(aziridin-1-yl)ethan-1-amineN166NCCN1CC1InChI=1S/C4H10N2/c5-1-2-6-3-4-6/h1-5H2InChIKey=LSDGFGPIFBOTJI-UHFFFAOYSA-N126.4Ex 126.36(BP est) -0.30(MP est) ----(BP exp) ----(MP exp) NCCN1CC1 -0.3PredY(de Lacy Costello et al. 2014)
NC(N)=C(C)C212886.138C4H10N22-methylprop-1-ene-1,1-diamineN166NC(N)=C(C)CInChI=1S/C4H10N2/c1-3(2)4(5)6/h5-6H2,1-2H3InChIKey=MRABXBLEWCBKDZ-UHFFFAOYSA-N144.2Ex 144.15(BP est) -17.15(MP est) ----(BP exp) ----(MP exp) NC(N)=C(C)C -17.2PredN
NC1(C)CNC1212986.138C4H10N23-methylazetidin-3-amineN166NC1(C)CNC1InChI=1S/C4H10N2/c1-4(5)2-6-3-4/h6H,2-3,5H2,1H3InChIKey=PYBBRDLRXFWWFU-UHFFFAOYSA-N142.7Ex 142.65(BP est) 28.96(MP est) ----(BP exp) ----(MP exp) NC1(C)CNC1 29PredN
NCC1NCC1213086.138C4H10N2azetidin-2-ylmethanamineN166NCC1NCC1InChI=1S/C4H10N2/c5-3-4-1-2-6-4/h4,6H,1-3,5H2InChIKey=MRYNEEIGLSDRKH-UHFFFAOYSA-N154.3Ex 154.33(BP est) 20.42(MP est) ----(BP exp) ----(MP exp) NCC1NCC1 20.4PredN
NCC1CNC1213186.138C4H10N2azetidin-3-ylmethanamineN166NCC1CNC1InChI=1S/C4H10N2/c5-1-4-2-6-3-4/h4,6H,1-3,5H2InChIKey=VMAXJDJIFGIBGH-UHFFFAOYSA-N154.3Ex 154.33(BP est) 20.42(MP est) ----(BP exp) ----(MP exp) NCC1CNC1 20.4PredN
NC(N)=CCC213286.138C4H10N2but-1-ene-1,1-diamineN166NC(N)=CCCInChI=1S/C4H10N2/c1-2-3-4(5)6/h3H,2,5-6H2,1H3InChIKey=YCGLLKBCDJTRBY-UHFFFAOYSA-N150.2Ex 150.20(BP est) -8.40(MP est) ----(BP exp) ----(MP exp) NC(N)=CCC -8.4PredN
NNCCC=C213386.138C4H10N2but-3-en-1-ylhydrazineN166NNCCC=CInChI=1S/C4H10N2/c1-2-3-4-6-5/h2,6H,1,3-5H2InChIKey=HBRZQKXSEKTPEW-UHFFFAOYSA-N130.2Ex 130.17(BP est) -20.91(MP est) ----(BP exp) ----(MP exp) NNCCC=C -20.9PredN
NNC(C=C)C213486.138C4H10N2but-3-en-2-ylhydrazineN166NNC(C=C)CInChI=1S/C4H10N2/c1-3-4(2)6-5/h3-4,6H,1,5H2,2H3InChIKey=ZXMKECRNTYBFFP-UHFFFAOYSA-N116.2Ex 116.22(BP est) -32.48(MP est) ----(BP exp) ----(MP exp) NNC(C=C)C -32.5PredN
NC1CC(N)C1213586.138C4H10N2cyclobutane-1,3-diamineN166NC1CC(N)C1InChI=1S/C4H10N2/c5-3-1-4(6)2-3/h3-4H,1-2,5-6H2InChIKey=UYLSVYARXBFEKV-UHFFFAOYSA-N148.8Ex 148.80(BP est) 5.80(MP est) ----(BP exp) ----(MP exp) NC1CC(N)C1 5.8PredN
NNC1CCC1213686.138C4H10N2cyclobutylhydrazineN166NNC1CCC1InChI=1S/C4H10N2/c5-6-4-2-1-3-4/h4,6H,1-3,5H2InChIKey=HQFQTTNMBUPQAY-UHFFFAOYSA-N137.8Ex 137.81(BP est) -10.59(MP est) ----(BP exp) ----(MP exp) NNC1CCC1 -10.6PredN
C(C1)NNC(C1)213786.138C4H10N2hexahydropyridazineN166C(C1)NNC(C1)InChI=1S/C4H10N2/c1-2-4-6-5-3-1/h5-6H,1-4H2InChIKey=HTFFABIIOAKIBH-UHFFFAOYSA-N163.8Ex 163.75(BP est) 7.30(MP est) ----(BP exp) ----(MP exp) C(C1)NNC(C1) 7.3PredN
CN(/C=C/N)C213886.138C4H10N2N1,N1-dimethylethene-1,2-diamineN166CN(/C=C/N)CInChI=1S/C4H10N2/c1-6(2)4-3-5/h3-4H,5H2,1-2H3InChIKey=ZOKQZNQOBOLHCA-UHFFFAOYSA-N118.3Ex 118.28(BP est) -36.13(MP est) ----(BP exp) ----(MP exp) CN(/C=C/N)C -36.1PredN
CNC1CNC1213986.138C4H10N2N-methylazetidin-3-amineN166CNC1CNC1InChI=1S/C4H10N2/c1-5-4-2-6-3-4/h4-6H,2-3H2,1H3InChIKey=NQPTWMKTGPWPMX-UHFFFAOYSA-N136.9Ex 136.94(BP est) 0.04(MP est) ----(BP exp) ----(MP exp) CNC1CNC1 0PredN
N1CCNCC1214086.138C4H10N2piperazineN166N1CCNCC1InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2InChIKey=GLUUGHFHXGJENI-UHFFFAOYSA-N145.6Ex 163.75(BP est) 7.30(MP est) 146.00(BP exp) 106.00(MP exp) N1CCNCC1 106ExptN
NN1CCCC1214186.138C4H10N2pyrrolidin-1-amineN166NN1CCCC1InChI=1S/C4H10N2/c5-6-3-1-2-4-6/h1-5H2InChIKey=SBMSLRMNBSMKQC-UHFFFAOYSA-N121.0Ex 130.57(BP est) -2.60(MP est) ----(BP exp) ----(MP exp) NN1CCCC1 -2.6PredN
[H][C@@]1(N)CNCC1214286.138C4H10N2pyrrolidin-3-amineN166[H][C@@]1(N)CNCC1InChI=1S/C4H10N2/c5-4-1-2-6-3-4/h4,6H,1-3,5H2InChIKey=NGXSWUFDCSEIOO-UHFFFAOYSA-N156.3Ex 156.33(BP est) 19.24(MP est) ----(BP exp) ----(MP exp) [H][C@@]1(N)CNCC1 19.2PredN
C1C2(CC2)S1214386.152C4H6S1-thiaspiro[2.2]pentaneN115C1C2(CC2)S1InChI=1S/C4H6S/c1-2-4(1)3-5-4/h1-3H2InChIKey=UEAXCBXOERCLDW-UHFFFAOYSA-N90.5Ex 90.52(BP est) -27.07(MP est) ----(BP exp) ----(MP exp) C1C2(CC2)S1 -27.1PredN
S1\C=C/CC1214486.152C4H6S2,3-dihydrothiopheneN115S1\C=C/CC1InChI=1S/C4H6S/c1-2-4-5-3-1/h1,3H,2,4H2InChIKey=OXBLVCZKDOZZOJ-UHFFFAOYSA-N112.3Ex 108.88(BP est) -47.53(MP est) 112.10(BP exp) ----(MP exp) S1\C=C/CC1 -47.5PredN
CC(S1)=C1C214586.152C4H6S2,3-dimethylthiireneN115CC(S1)=C1CInChI=1S/C4H6S/c1-3-4(2)5-3/h1-2H3InChIKey=KKXVALCSVHZKPN-UHFFFAOYSA-N100.4Ex 100.41(BP est) -33.96(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1C -34PredN
S1C/C=C\C1214686.152C4H6S2,5-dihydrothiopheneN115S1C/C=C\C1InChI=1S/C4H6S/c1-2-4-5-3-1/h1-2H,3-4H2InChIKey=WURYWHAKEJHAOV-UHFFFAOYSA-N122.0Ex 108.88(BP est) -47.53(MP est) 122.40(BP exp) ----(MP exp) S1C/C=C\C1 -47.5PredY(El-Sayed 2014)
CCC1=CS1214786.152C4H6S2-ethylthiireneN115CCC1=CS1InChI=1S/C4H6S/c1-2-4-3-5-4/h3H,2H2,1H3InChIKey=BXDXJUXOISBALM-UHFFFAOYSA-N102.5Ex 102.47(BP est) -39.62(MP est) ----(BP exp) ----(MP exp) CCC1=CS1 -39.6PredN
C=CC1CS1214886.152C4H6S2-vinylthiiraneN115C=CC1CS1InChI=1S/C4H6S/c1-2-4-3-5-4/h2,4H,1,3H2InChIKey=JNUIIZUUNVYHCS-UHFFFAOYSA-N101.1Ex 92.58(BP est) -52.15(MP est) ----(BP exp) ----(MP exp) C=CC1CS1 -52.2PredN
C1(CC2)C2S1214986.152C4H6S5-thiabicyclo[2.1.0]pentaneN115C1(CC2)C2S1InChI=1S/C4H6S/c1-2-4-3(1)5-4/h3-4H,1-2H2InChIKey=OCCJARCDBFHTPL-UHFFFAOYSA-N96.3Ex 96.30(BP est) -39.45(MP est) ----(BP exp) ----(MP exp) C1(CC2)C2S1 -39.5PredN
S=C\C=C/C215086.152C4H6Sbut-2-enethialN115S=C\C=C/CInChI=1S/C4H6S/c1-2-3-4-5/h2-4H,1H3InChIKey=FJMXTQLPRLIAIZ-UHFFFAOYSA-N34.4Ex 34.35(BP est) -111.59(MP est) ----(BP exp) ----(MP exp) S=C\C=C/C -111.6PredN
CC#CCS215186.152C4H6Sbut-2-yne-1-thiolN115CC#CCSInChI=1S/C4H6S/c1-2-3-4-5/h5H,4H2,1H3InChIKey=DOTDYMADMQAALT-UHFFFAOYSA-N124.3Ex 124.29(BP est) -18.43(MP est) ----(BP exp) ----(MP exp) CC#CCS -18.4PredN
SCCC#C215286.152C4H6Sbut-3-yne-1-thiolN115SCCC#CInChI=1S/C4H6S/c1-2-3-4-5/h1,5H,3-4H2InChIKey=BCBDIPGKPAERPG-UHFFFAOYSA-N115.6Ex 115.60(BP est) -50.53(MP est) ----(BP exp) ----(MP exp) SCCC#C -50.5PredN
SC(C#C)C215386.152C4H6Sbut-3-yne-2-thiolN115SC(C#C)CInChI=1S/C4H6S/c1-3-4(2)5/h1,4-5H,2H3InChIKey=SDRKUIDKJINMKO-UHFFFAOYSA-N101.3Ex 101.32(BP est) -62.20(MP est) ----(BP exp) ----(MP exp) SC(C#C)C -62.2PredN
S/C=C\C=C215486.152C4H6Sbuta-1,3-diene-1-thiolN115S/C=C\C=CInChI=1S/C4H6S/c1-2-3-4-5/h2-5H,1H2InChIKey=AKLCQAMYTDNOFK-UHFFFAOYSA-N112.8Ex 112.84(BP est) -78.24(MP est) ----(BP exp) ----(MP exp) S/C=C\C=C -78.2PredN
SC1CC=C1215586.152C4H6Scyclobut-2-ene-1-thiolN115SC1CC=C1InChI=1S/C4H6S/c5-4-2-1-3-4/h1-2,4-5H,3H2InChIKey=JLVPZRJDDACMHD-UHFFFAOYSA-N116.6Ex 116.59(BP est) -66.13(MP est) ----(BP exp) ----(MP exp) SC1CC=C1 -66.1PredN
C=CSC=C215686.152C4H6SdivinylsulfaneN115C=CSC=CInChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2InChIKey=UIYCHXAGWOYNNA-UHFFFAOYSA-N84.0Ex 89.27(BP est) -84.49(MP est) 84.00(BP exp) 20.00(MP exp) C=CSC=C 20ExptY(Irwin et al. 2012, DNP 2017)
C#CSCC215786.152C4H6Sethyl(ethynyl)sulfaneN115C#CSCCInChI=1S/C4H6S/c1-3-5-4-2/h1H,4H2,2H3InChIKey=SUFGUGHOVHXSII-UHFFFAOYSA-N101.4Ex 101.38(BP est) -55.71(MP est) ----(BP exp) ----(MP exp) C#CSCC -55.7PredN
CC#CSC215886.152C4H6Smethyl(prop-1-yn-1-yl)sulfaneN115CC#CSCInChI=1S/C4H6S/c1-3-4-5-2/h1-2H3InChIKey=FVFHHUSWPZZVQC-UHFFFAOYSA-N110.3Ex 110.27(BP est) -23.55(MP est) ----(BP exp) ----(MP exp) CC#CSC -23.6PredN
CSCC#C215986.152C4H6Smethyl(prop-2-yn-1-yl)sulfaneN115CSCC#CInChI=1S/C4H6S/c1-3-4-5-2/h1H,4H2,2H3InChIKey=YTXIGMLQHXRSEC-UHFFFAOYSA-N101.4Ex 101.38(BP est) -55.71(MP est) ----(BP exp) ----(MP exp) CSCC#C -55.7PredN
C(=C)=CSC216086.152C4H6Smethyl(propa-1,2-dien-1-yl)sulfaneN115C(=C)=CSCInChI=1S/C4H6S/c1-3-4-5-2/h4H,1H2,2H3InChIKey=HZDGFJQLILOMHJ-UHFFFAOYSA-N83.2Ex 83.23(BP est) -93.17(MP est) ----(BP exp) ----(MP exp) C(=C)=CSC -93.2PredN
CC(C)(CC)C216186.178C6H142,2-dimethylbutaneN206CC(C)(CC)CInChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3InChIKey=HNRMPXKDFBEGFZ-UHFFFAOYSA-N49.4Ex 46.03(BP est) -100.07(MP est) 49.70(BP exp) -99.00(MP exp) CC(C)(CC)C -99ExptY(de Lacy Costello et al. 2014)
CC(C(C)C)C216286.178C6H142,3-dimethylbutaneN206CC(C(C)C)CInChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3InChIKey=ZFFMLCVRJBZUDZ-UHFFFAOYSA-N57.6Ex 40.65(BP est) -117.85(MP est) 57.90(BP exp) -128.80(MP exp) CC(C(C)C)C -128.8ExptY(Fuentes et al. 1996)
CC(CCC)C216386.178C6H142-methylpentaneN206CC(CCC)CInChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3InChIKey=AFABGHUZZDYHJO-UHFFFAOYSA-N59.5Ex 56.26(BP est) -105.80(MP est) 60.20(BP exp) -153.70(MP exp) CC(CCC)C -153.7ExptY(Fuentes et al. 1996, Wheatley et al. 1997)
CC(CC)CC216486.178C6H143-methylpentaneN206CC(CC)CCInChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3InChIKey=PFEOZHBOMNWTJB-UHFFFAOYSA-N63.1Ex 56.26(BP est) -105.80(MP est) 63.20(BP exp) -162.90(MP exp) CC(CC)CC -162.9ExptY(Fuentes et al. 1996)
CCCCCC216586.178C6H14hexaneN206CCCCCCInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3InChIKey=VLKZOEOYAKHREP-UHFFFAOYSA-N68.5Ex 71.53(BP est) -93.84(MP est) 68.70(BP exp) -95.30(MP exp) CCCCCC -95.3ExptY(Fuentes et al. 1996, Wheatley et al. 1997, DNP 2017)
C[Si]1(CC1)C216686.209C4H10Si1,1-dimethylsiliraneN155C[Si]1(CC1)CInChI=1S/C4H10Si/c1-5(2)3-4-5/h3-4H2,1-2H3InChIKey=FCEOAGVSDADLCM-UHFFFAOYSA-N13.2Ex 13.16(BP est) -64.88(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1)C -64.9PredN
C(Cl)(F)(F)216786.4658CHClF2chlorodifluoromethaneN54C(Cl)(F)(F)InChI=1S/CHClF2/c2-1(3)4/h1HInChIKey=VOPWNXZWBYDODV-UHFFFAOYSA-N-40.9Ex -15.42(BP est) -139.35(MP est) -40.70(BP exp) -157.40(MP exp) C(Cl)(F)(F) -157.4ExptN
ClC=CC#C216886.518C4H3Cl1-chlorobut-1-en-3-yneN85ClC=CC#CInChI=1S/C4H3Cl/c1-2-3-4-5/h1,3-4HInChIKey=RUXGZTZCIAWIGG-UHFFFAOYSA-N75.5Ex 75.50(BP est) -68.04(MP est) ----(BP exp) ----(MP exp) ClC=CC#C -68PredN
C=C(C#C)Cl216986.518C4H3Cl2-chlorobut-1-en-3-yneN85C=C(C#C)ClInChI=1S/C4H3Cl/c1-3-4(2)5/h1H,2H2InChIKey=KRSMTQBJRPTXRB-UHFFFAOYSA-N59.0Ex 58.96(BP est) -78.19(MP est) ----(BP exp) ----(MP exp) C=C(C#C)Cl -78.2PredN
C=CC#CCl217086.518C4H3Cl4-chlorobut-1-en-3-yneN85C=CC#CClInChI=1S/C4H3Cl/c1-2-3-4-5/h2H,1H2InChIKey=MZBBMGQAWNJHOR-UHFFFAOYSA-N56.0Ex 75.26(BP est) -36.89(MP est) ----(BP exp) ----(MP exp) C=CC#CCl -36.9PredN
C(=C=O)[N+](=O)[O-]217187.034C2HNO32-nitroethen-1-oneN76C(=C=O)N(=O)=OInChI=1S/C2HNO3/c4-2-1-3(5)6/h1HInChIKey=QURRWEMWCKISRF-UHFFFAOYSA-N88.7Ex 88.66(BP est) -28.36(MP est) ----(BP exp) ----(MP exp) C(=C=O)N(=O)=O -28.4PredN
[N-]=[N+]=NC(=O)O217287.038CHN3O2carbonazidic acidN76[N-]=[N+]=NC(=O)OInChI=1S/CHN3O2/c2-4-3-1(5)6/h(H,5,6)InChIKey=JRZBPELLUMBLQU-UHFFFAOYSA-N398.9Ex 398.92(BP est) 165.38(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NC(=O)O 165.4PredN
C(#N)N[N+](=O)[O-]217387.038CHN3O2N-nitrocyanamideN76C(#N)NN(=O)=OInChI=1S/CHN3O2/c2-1-3-4(5)6/h3HInChIKey=ZNPKAOCQMDJBIK-UHFFFAOYSA-N199.4Ex 199.39(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) C(#N)NN(=O)=O 24.4PredN
O=NCC(C)=O217687.078C3H5NO21-nitrosopropan-2-oneN116O=NCC(C)=OInChI=1S/C3H5NO2/c1-3(5)2-4-6/h2H2,1H3InChIKey=XIOSHRWCAJCXKL-UHFFFAOYSA-N79.6Ex 79.56(BP est) -27.75(MP est) ----(BP exp) ----(MP exp) O=NCC(C)=O -27.8PredN
C=C(N)C(O)=O217787.078C3H5NO22-aminoacrylic acidN116C=C(N)C(O)=OInChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)InChIKey=UQBOJOOOTLPNST-UHFFFAOYSA-N383.2Ex 383.24(BP est) 243.94(MP est) ----(BP exp) ----(MP exp) C=C(N)C(O)=O 243.9PredY(DNP 2017)
O=C1NCC1O217887.078C3H5NO23-hydroxyazetidin-2-oneN116O=C1NCC1OInChI=1S/C3H5NO2/c5-2-1-4-3(2)6/h2,5H,1H2,(H,4,6)InChIKey=BYBSZKOGUBQJEE-UHFFFAOYSA-N271.6Ex 271.61(BP est) 74.05(MP est) ----(BP exp) ----(MP exp) O=C1NCC1O 74.1PredN
O=NC1COC1217987.078C3H5NO23-nitrosooxetaneN116O=NC1COC1InChI=1S/C3H5NO2/c5-4-3-1-6-2-3/h3H,1-2H2InChIKey=JPYLOGJNGHUERD-UHFFFAOYSA-N69.0Ex 69.03(BP est) -35.29(MP est) ----(BP exp) ----(MP exp) O=NC1COC1 -35.3PredN
[H][C@]1(C(O)=O)NC1218087.078C3H5NO2aziridine-2-carboxylic acidN116[H][C@]1(C(O)=O)NC1InChI=1S/C3H5NO2/c5-3(6)2-1-4-2/h2,4H,1H2,(H,5,6)InChIKey=WBGBOXYJYPVLQJ-UHFFFAOYSA-N388.8Ex 388.80(BP est) 286.32(MP est) ----(BP exp) ----(MP exp) [H][C@]1(C(O)=O)NC1 286.3PredN
O=C=NCOC218187.078C3H5NO2isocyanato(methoxy)methaneN116O=C=NCOCInChI=1S/C3H5NO2/c1-6-3-4-2-5/h3H2,1H3InChIKey=HTVHSOYSKFBUGY-UHFFFAOYSA-N93.1Ex 93.11(BP est) -45.85(MP est) ----(BP exp) ----(MP exp) O=C=NCOC -45.9PredN
O=C1NOCC1218287.078C3H5NO2isoxazolidin-3-oneN116O=C1NOCC1InChI=1S/C3H5NO2/c5-3-1-2-6-4-3/h1-2H2,(H,4,5)InChIKey=QXDOFVVNXBGLKK-UHFFFAOYSA-N241.3Ex 241.27(BP est) 52.39(MP est) ----(BP exp) ----(MP exp) O=C1NOCC1 52.4PredY(Wishart et al. 2013)
O=C1NCCO1218387.078C3H5NO2oxazolidin-2-oneN116O=C1NCCO1InChI=1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=IZXIZTKNFFYFOF-UHFFFAOYSA-N209.5Ex 209.51(BP est) 14.31(MP est) ----(BP exp) ----(MP exp) O=C1NCCO1 14.3PredN
NC(C1OC1)=O218487.078C3H5NO2oxirane-2-carboxamideN116NC(C1OC1)=OInChI=1S/C3H5NO2/c4-3(5)2-1-6-2/h2H,1H2,(H2,4,5)InChIKey=FMAZQSYXRGRESX-UHFFFAOYSA-N225.8Ex 225.75(BP est) 46.12(MP est) ----(BP exp) ----(MP exp) NC(C1OC1)=O 46.1PredN
[N-]=[N+]=NCCO218587.082C2H5N3O2-azidoethan-1-olN116[N-]=[N+]=NCCOInChI=1S/C2H5N3O/c3-5-4-1-2-6/h6H,1-2H2InChIKey=BSULWPSUVMOMAN-UHFFFAOYSA-N383.1Ex 383.14(BP est) 153.09(MP est) ----(BP exp) ----(MP exp) [N-]=[N+]=NCCO 153.1PredN
N=C(N)NC=O218687.082C2H5N3ON-carbamimidoylformamideN116N=C(N)NC=OInChI=1S/C2H5N3O/c3-2(4)5-1-6/h1H,(H4,3,4,5,6)InChIKey=XEBPBJPZBUSUEO-UHFFFAOYSA-N277.8Ex 277.75(BP est) 91.71(MP est) ----(BP exp) ----(MP exp) N=C(N)NC=O 91.7PredN
N\1=N\NNC/1N218887.086CH5N52,5-dihydro-1H-tetrazol-5-amineN116N\1=N\NNC/1NInChI=1S/CH5N5/c2-1-3-5-6-4-1/h1H,2H2,(H,3,6)(H,4,5)InChIKey=IPXIYAKSOSBXGA-UHFFFAOYSA-N268.8Ex 268.81(BP est) 89.82(MP est) ----(BP exp) ----(MP exp) N\1=N\NNC/1N 89.8PredN
FC12C(N2)CC1218987.0974C4H6FN1-fluoro-5-azabicyclo[2.1.0]pentaneN126FC12C(N2)CC1InChI=1S/C4H6FN/c5-4-2-1-3(4)6-4/h3,6H,1-2H2InChIKey=XBJMDPHRWKHTKS-UHFFFAOYSA-N82.3Ex 82.27(BP est) -17.51(MP est) ----(BP exp) ----(MP exp) FC12C(N2)CC1 -17.5PredN
NC(F)(CC#C)219087.0974C4H6FN1-fluorobut-3-yn-1-amineN126NC(F)(CC#C)InChI=1S/C4H6FN/c1-2-3-4(5)6/h1,4H,3,6H2InChIKey=DBRSHQUJOYJMEZ-UHFFFAOYSA-N83.9Ex 83.90(BP est) -43.59(MP est) ----(BP exp) ----(MP exp) NC(F)(CC#C) -43.6PredN
NC(CF)(C#C)219187.0974C4H6FN1-fluorobut-3-yn-2-amineN126NC(CF)(C#C)InChI=1S/C4H6FN/c1-2-4(6)3-5/h1,4H,3,6H2InChIKey=RAAGYTBQORZLIE-UHFFFAOYSA-N83.9Ex 83.90(BP est) -43.59(MP est) ----(BP exp) ----(MP exp) NC(CF)(C#C) -43.6PredN
NC(F)(C1)(C=C1)219287.0974C4H6FN1-fluorocyclobut-2-en-1-amineN126NC(F)(C1)(C=C1)InChI=1S/C4H6FN/c5-4(6)2-1-3-4/h1-2H,3,6H2InChIKey=WQSCJIBDSYRGJN-UHFFFAOYSA-N86.8Ex 86.78(BP est) -39.19(MP est) ----(BP exp) ----(MP exp) NC(F)(C1)(C=C1) -39.2PredN
CNC(F)(C#C)219387.0974C4H6FN1-fluoro-N-methylprop-2-yn-1-amineN126CNC(F)(C#C)InChI=1S/C4H6FN/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=REDZLZRZGKKHPZ-UHFFFAOYSA-N64.4Ex 64.36(BP est) -64.59(MP est) ----(BP exp) ----(MP exp) CNC(F)(C#C) -64.6PredN
FC(C)C1=CN1219487.0974C4H6FN2-(1-fluoroethyl)-1H-azirineN126FC(C)C1=CN1InChI=1S/C4H6FN/c1-3(5)4-2-6-4/h2-3,6H,1H3InChIKey=VTZHQJIDOXWKHT-UHFFFAOYSA-N86.7Ex 86.74(BP est) -37.63(MP est) ----(BP exp) ----(MP exp) FC(C)C1=CN1 -37.6PredN
FC(C1CN1)=C219587.0974C4H6FN2-(1-fluorovinyl)aziridineN126FC(C1CN1)=CInChI=1S/C4H6FN/c1-3(5)4-2-6-4/h4,6H,1-2H2InChIKey=RYPJMNBOGOGKOS-UHFFFAOYSA-N84.8Ex 84.77(BP est) -47.32(MP est) ----(BP exp) ----(MP exp) FC(C1CN1)=C -47.3PredN
FCCC1=CN1219687.0974C4H6FN2-(2-fluoroethyl)-1H-azirineN126FCCC1=CN1InChI=1S/C4H6FN/c5-2-1-4-3-6-4/h3,6H,1-2H2InChIKey=VPFUJSRZINBYCU-UHFFFAOYSA-N101.4Ex 101.35(BP est) -25.86(MP est) ----(BP exp) ----(MP exp) FCCC1=CN1 -25.9PredN
FC=CC1CN1219787.0974C4H6FN2-(2-fluorovinyl)aziridineN126FC=CC1CN1InChI=1S/C4H6FN/c5-2-1-4-3-6-4/h1-2,4,6H,3H2InChIKey=FJYWTNCATMPVMS-UHFFFAOYSA-N100.7Ex 100.70(BP est) -37.35(MP est) ----(BP exp) ----(MP exp) FC=CC1CN1 -37.4PredN
CC(N1)=C1CF219887.0974C4H6FN2-(fluoromethyl)-3-methyl-1H-azirineN126CC(N1)=C1CFInChI=1S/C4H6FN/c1-3-4(2-5)6-3/h6H,2H2,1H3InChIKey=RCWBKPBHKAXZMW-UHFFFAOYSA-N99.3Ex 99.29(BP est) -20.20(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1CF -20.2PredN
FC(N1)=C1CC219987.0974C4H6FN2-ethyl-3-fluoro-1H-azirineN126FC(N1)=C1CCInChI=1S/C4H6FN/c1-2-3-4(5)6-3/h6H,2H2,1H3InChIKey=JAEHHURHROQPEG-UHFFFAOYSA-N99.3Ex 99.29(BP est) -20.20(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1CC -20.2PredN
FC1C2(CC2)N1220087.0974C4H6FN2-fluoro-1-azaspiro[2.2]pentaneN126FC1C2(CC2)N1InChI=1S/C4H6FN/c5-3-4(6-3)1-2-4/h3,6H,1-2H2InChIKey=HMZWCZSHDNECBG-UHFFFAOYSA-N82.3Ex 82.27(BP est) -17.51(MP est) ----(BP exp) ----(MP exp) FC1C2(CC2)N1 -17.5PredN
FC1(C=C)CN1220187.0974C4H6FN2-fluoro-2-vinylaziridineN126FC1(C=C)CN1InChI=1S/C4H6FN/c1-2-4(5)3-6-4/h2,6H,1,3H2InChIKey=ABEFTJBLAXHRAM-UHFFFAOYSA-N78.5Ex 78.48(BP est) -30.23(MP est) ----(BP exp) ----(MP exp) FC1(C=C)CN1 -30.2PredN
FC1C(C=C)N1220287.0974C4H6FN2-fluoro-3-vinylaziridineN126FC1C(C=C)N1InChI=1S/C4H6FN/c1-2-3-4(5)6-3/h2-4,6H,1H2InChIKey=VJERAAYOPOWPBY-UHFFFAOYSA-N84.4Ex 84.35(BP est) -42.58(MP est) ----(BP exp) ----(MP exp) FC1C(C=C)N1 -42.6PredN
FC1CC2C1N2220387.0974C4H6FN2-fluoro-5-azabicyclo[2.1.0]pentaneN126FC1CC2C1N2InChI=1S/C4H6FN/c5-2-1-3-4(2)6-3/h2-4,6H,1H2InChIKey=CTDPCEHBVHRZNZ-UHFFFAOYSA-N88.1Ex 88.11(BP est) -29.88(MP est) ----(BP exp) ----(MP exp) FC1CC2C1N2 -29.9PredN
NC(C(F)C#C)220487.0974C4H6FN2-fluorobut-3-yn-1-amineN126NC(C(F)C#C)InChI=1S/C4H6FN/c1-2-4(5)3-6/h1,4H,3,6H2InChIKey=MBKRIJSVILJQPP-UHFFFAOYSA-N83.9Ex 83.90(BP est) -43.59(MP est) ----(BP exp) ----(MP exp) NC(C(F)C#C) -43.6PredN
NC(F)(C)(C#C)220587.0974C4H6FN2-fluorobut-3-yn-2-amineN126NC(F)(C)(C#C)InChI=1S/C4H6FN/c1-3-4(2,5)6/h1H,6H2,2H3InChIKey=HNDGZJAPZKDEKK-UHFFFAOYSA-N74.1Ex 74.07(BP est) -37.75(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(C#C) -37.8PredN
NC(C1)(C(F)=C1)220687.0974C4H6FN2-fluorocyclobut-2-en-1-amineN126NC(C1)(C(F)=C1)InChI=1S/C4H6FN/c5-3-1-2-4(3)6/h1,4H,2,6H2InChIKey=ZOWPNYYNTBGBJG-UHFFFAOYSA-N97.5Ex 97.52(BP est) -41.74(MP est) ----(BP exp) ----(MP exp) NC(C1)(C(F)=C1) -41.7PredN
NC(C1)(C=C1F)220787.0974C4H6FN3-fluorocyclobut-2-en-1-amineN126NC(C1)(C=C1F)InChI=1S/C4H6FN/c5-3-1-4(6)2-3/h1,4H,2,6H2InChIKey=LPCQZLIBKOXJIX-UHFFFAOYSA-N97.5Ex 97.52(BP est) -41.74(MP est) ----(BP exp) ----(MP exp) NC(C1)(C=C1F) -41.7PredN
CNC(C#CF)220887.0974C4H6FN3-fluoro-N-methylprop-2-yn-1-amineN126CNC(C#CF)InChI=1S/C4H6FN/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=OSGNSKYTAIYHOK-UHFFFAOYSA-N88.7Ex 88.66(BP est) -20.43(MP est) ----(BP exp) ----(MP exp) CNC(C#CF) -20.4PredN
FC1C2(C1)CN2220987.0974C4H6FN4-fluoro-1-azaspiro[2.2]pentaneN126FC1C2(C1)CN2InChI=1S/C4H6FN/c5-3-1-4(3)2-6-4/h3,6H,1-2H2InChIKey=GKWRIBLNJZHZBR-UHFFFAOYSA-N82.3Ex 82.27(BP est) -17.51(MP est) ----(BP exp) ----(MP exp) FC1C2(C1)CN2 -17.5PredN
NC(CC#CF)221087.0974C4H6FN4-fluorobut-3-yn-1-amineN126NC(CC#CF)InChI=1S/C4H6FN/c5-3-1-2-4-6/h2,4,6H2InChIKey=OGAGIUTXYSWVBW-UHFFFAOYSA-N107.5Ex 107.50(BP est) 0.37(MP est) ----(BP exp) ----(MP exp) NC(CC#CF) 0.4PredN
NC(C)(C#CF)221187.0974C4H6FN4-fluorobut-3-yn-2-amineN126NC(C)(C#CF)InChI=1S/C4H6FN/c1-4(6)2-3-5/h4H,6H2,1H3InChIKey=PJBBFCIAEPCTLH-UHFFFAOYSA-N93.0Ex 93.03(BP est) -11.36(MP est) ----(BP exp) ----(MP exp) NC(C)(C#CF) -11.4PredN
NC(C1F)(C=C1)221287.0974C4H6FN4-fluorocyclobut-2-en-1-amineN126NC(C1F)(C=C1)InChI=1S/C4H6FN/c5-3-1-2-4(3)6/h1-4H,6H2InChIKey=APCDDLATJFWYOG-UHFFFAOYSA-N92.6Ex 92.58(BP est) -51.57(MP est) ----(BP exp) ----(MP exp) NC(C1F)(C=C1) -51.6PredN
C(F)NC(C#C)221387.0974C4H6FNN-(fluoromethyl)prop-2-yn-1-amineN126C(F)NC(C#C)InChI=1S/C4H6FN/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=RSHKXRRQAJJITB-UHFFFAOYSA-N79.5Ex 79.47(BP est) -52.68(MP est) ----(BP exp) ----(MP exp) C(F)NC(C#C) -52.7PredN
NC(C1)(C1)C(O)222487.122C4H9NO(1-aminocyclopropyl)methanolN156NC(C1)(C1)C(O)InChI=1S/C4H9NO/c5-4(3-6)1-2-4/h6H,1-3,5H2InChIKey=OBMKZINZPBARIK-UHFFFAOYSA-N165.4Ex 165.43(BP est) 15.27(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1)C(O) 15.3PredN
NC1C(CO)C1222587.122C4H9NO(2-aminocyclopropyl)methanolN156NC1C(CO)C1InChI=1S/C4H9NO/c5-4-1-3(4)2-6/h3-4,6H,1-2,5H2InChIKey=YACWILRABGNJKG-UHFFFAOYSA-N170.5Ex 170.50(BP est) 2.68(MP est) ----(BP exp) ----(MP exp) NC1C(CO)C1 2.7PredN
NCOCC=C222687.122C4H9NO(allyloxy)methanamineN156NCOCC=CInChI=1S/C4H9NO/c1-2-3-6-4-5/h2H,1,3-5H2InChIKey=HJJGAGWUZBGGCB-UHFFFAOYSA-N110.9Ex 110.86(BP est) -41.76(MP est) ----(BP exp) ----(MP exp) NCOCC=C -41.8PredN
NCC1(CC1)O222787.122C4H9NO1-(aminomethyl)cyclopropan-1-olN156NCC1(CC1)OInChI=1S/C4H9NO/c5-3-4(6)1-2-4/h6H,1-3,5H2InChIKey=JXJORHGRCCODBV-UHFFFAOYSA-N148.2Ex 148.22(BP est) 10.24(MP est) ----(BP exp) ----(MP exp) NCC1(CC1)O 10.2PredN
O=C(C)CNC222887.122C4H9NO1-(methylamino)propan-2-oneN156O=C(C)CNCInChI=1S/C4H9NO/c1-4(6)3-5-2/h5H,3H2,1-2H3InChIKey=UNCPWMREXAOVOD-UHFFFAOYSA-N115.7Ex 115.74(BP est) -40.91(MP est) ----(BP exp) ----(MP exp) O=C(C)CNC -40.9PredN
N1CCCCO1222987.122C4H9NO1,2-oxazinaneN156N1CCCCO1InChI=1S/C4H9NO/c1-2-4-6-5-3-1/h5H,1-4H2InChIKey=OZQGLZFAWYKKLQ-UHFFFAOYSA-N134.1Ex 134.07(BP est) -15.24(MP est) ----(BP exp) ----(MP exp) N1CCCCO1 -15.2PredN
NCC(C=C)O223087.122C4H9NO1-aminobut-3-en-2-olN156NCC(C=C)OInChI=1S/C4H9NO/c1-2-4(6)3-5/h2,4,6H,1,3,5H2InChIKey=VEPSIZZAILVTSD-UHFFFAOYSA-N151.5Ex 151.46(BP est) -18.11(MP est) ----(BP exp) ----(MP exp) NCC(C=C)O -18.1PredN
NCC(CC)=O223187.122C4H9NO1-aminobutan-2-oneN156NCC(CC)=OInChI=1S/C4H9NO/c1-2-4(6)3-5/h2-3,5H2,1H3InChIKey=QCWWEZIJUCPALZ-UHFFFAOYSA-N133.8Ex 133.78(BP est) -20.34(MP est) ----(BP exp) ----(MP exp) NCC(CC)=O -20.3PredN
CCON1CC1223287.122C4H9NO1-ethoxyaziridineN156CCON1CC1InChI=1S/C4H9NO/c1-2-6-5-3-4-5/h2-4H2,1H3InChIKey=BHIKNXOXDDZNJT-UHFFFAOYSA-N88.1Ex 88.07(BP est) -42.00(MP est) ----(BP exp) ----(MP exp) CCON1CC1 -42PredN
NC(OCC)=C223387.122C4H9NO1-ethoxyethen-1-amineN156NC(OCC)=CInChI=1S/C4H9NO/c1-3-6-4(2)5/h2-3,5H2,1H3InChIKey=OAANSFFQHHZZNC-UHFFFAOYSA-N104.4Ex 104.39(BP est) -50.63(MP est) ----(BP exp) ----(MP exp) NC(OCC)=C -50.6PredN
CON1CCC1223487.122C4H9NO1-methoxyazetidineN156CON1CCC1InChI=1S/C4H9NO/c1-6-5-3-2-4-5/h2-4H2,1H3InChIKey=JQTQMHYPWWNECG-UHFFFAOYSA-N90.3Ex 90.31(BP est) -43.10(MP est) ----(BP exp) ----(MP exp) CON1CCC1 -43.1PredN
NC1(OC)CC1223587.122C4H9NO1-methoxycyclopropan-1-amineN156NC1(OC)CC1InChI=1S/C4H9NO/c1-6-4(5)2-3-4/h2-3,5H2,1H3InChIKey=WTLDDMZDICPROB-UHFFFAOYSA-N104.2Ex 104.15(BP est) -21.92(MP est) ----(BP exp) ----(MP exp) NC1(OC)CC1 -21.9PredN
NC(OC)=CC223687.122C4H9NO1-methoxyprop-1-en-1-amineN156NC(OC)=CCInChI=1S/C4H9NO/c1-3-4(5)6-2/h3H,5H2,1-2H3InChIKey=QZDQUYCPYKSMKX-UHFFFAOYSA-N113.5Ex 113.45(BP est) -49.64(MP est) ----(BP exp) ----(MP exp) NC(OC)=CC -49.6PredN
NC(OC)C=C223787.122C4H9NO1-methoxyprop-2-en-1-amineN156NC(OC)C=CInChI=1S/C4H9NO/c1-3-4(5)6-2/h3-4H,1,5H2,2H3InChIKey=HQQWMTKJXGQBTE-UHFFFAOYSA-N96.5Ex 96.47(BP est) -53.46(MP est) ----(BP exp) ----(MP exp) NC(OC)C=C -53.5PredN
OC1CN(C)C1223887.122C4H9NO1-methylazetidin-3-olN156OC1CN(C)C1InChI=1S/C4H9NO/c1-5-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=IJVQAJHYYRVZNE-UHFFFAOYSA-N139.4Ex 139.37(BP est) -11.61(MP est) ----(BP exp) ----(MP exp) OC1CN(C)C1 -11.6PredN
O=NCCCC223987.122C4H9NO1-nitrosobutaneN156O=NCCCCInChI=1S/C4H9NO/c1-2-3-4-5-6/h2-4H2,1H3InChIKey=VVGONFMJWMFEMZ-UHFFFAOYSA-N55.5Ex 55.52(BP est) -54.10(MP est) ----(BP exp) ----(MP exp) O=NCCCC -54.1PredN
OCCN1CC1224087.122C4H9NO2-(aziridin-1-yl)ethan-1-olN156OCCN1CC1InChI=1S/C4H9NO/c6-4-3-5-1-2-5/h6H,1-4H2InChIKey=VYONOYYDEFODAJ-UHFFFAOYSA-N168.0Ex 150.98(BP est) -4.34(MP est) 168.00(BP exp) ----(MP exp) OCCN1CC1 -4.3PredN
NCCOC=C224187.122C4H9NO2-(vinyloxy)ethan-1-amineN156NCCOC=CInChI=1S/C4H9NO/c1-2-6-4-3-5/h2H,1,3-5H2InChIKey=CEYHHQSTMVVZQP-UHFFFAOYSA-N110.9Ex 110.86(BP est) -41.76(MP est) ----(BP exp) ----(MP exp) NCCOC=C -41.8PredN
NC(CO)C=C224287.122C4H9NO2-aminobut-3-en-1-olN156NC(CO)C=CInChI=1S/C4H9NO/c1-2-4(5)3-6/h2,4,6H,1,3,5H2InChIKey=RKBAYXYCMQLBCZ-UHFFFAOYSA-N158.5Ex 158.53(BP est) -16.05(MP est) ----(BP exp) ----(MP exp) NC(CO)C=C -16.1PredN
NC(C1)C(O)(C1)224387.122C4H9NO2-aminocyclobutan-1-olN156NC(C1)C(O)(C1)InChI=1S/C4H9NO/c5-3-1-2-4(3)6/h3-4,6H,1-2,5H2InChIKey=WXKBWWIWJCCING-UHFFFAOYSA-N165.6Ex 165.56(BP est) -0.52(MP est) ----(BP exp) ----(MP exp) NC(C1)C(O)(C1) -0.5PredN
CCN1CCO1224487.122C4H9NO2-ethyl-1,2-oxazetidineN156CCN1CCO1InChI=1S/C4H9NO/c1-2-5-3-4-6-5/h2-4H2,1H3InChIKey=QRHBGWJMTVAYGQ-UHFFFAOYSA-N95.9Ex 95.93(BP est) -39.30(MP est) ----(BP exp) ----(MP exp) CCN1CCO1 -39.3PredN
NC1C(OC)C1224587.122C4H9NO2-methoxycyclopropan-1-amineN156NC1C(OC)C1InChI=1S/C4H9NO/c1-6-4-2-3(4)5/h3-4H,2,5H2,1H3InChIKey=PHESTWQJVUANKG-UHFFFAOYSA-N109.8Ex 109.80(BP est) -34.34(MP est) ----(BP exp) ----(MP exp) NC1C(OC)C1 -34.3PredN
O=NCC(C)C224687.122C4H9NO2-methyl-1-nitrosopropaneN156O=NCC(C)CInChI=1S/C4H9NO/c1-4(2)3-5-6/h4H,3H2,1-2H3InChIKey=SNQJKKSKNGYXET-UHFFFAOYSA-N39.9Ex 39.90(BP est) -66.16(MP est) ----(BP exp) ----(MP exp) O=NCC(C)C -66.2PredN
CN1CCCO1224787.122C4H9NO2-methylisoxazolidineN156CN1CCCO1InChI=1S/C4H9NO/c1-5-3-2-4-6-5/h2-4H2,1H3InChIKey=LKRPQZOVEFZODS-UHFFFAOYSA-N98.1Ex 98.14(BP est) -40.41(MP est) ----(BP exp) ----(MP exp) CN1CCCO1 -40.4PredN
O=NC(C)CC224887.122C4H9NO2-nitrosobutaneN156O=NC(C)CCInChI=1S/C4H9NO/c1-3-4(2)5-6/h4H,3H2,1-2H3InChIKey=GRFXXWWBAWFSRF-UHFFFAOYSA-N39.9Ex 39.90(BP est) -66.16(MP est) ----(BP exp) ----(MP exp) O=NC(C)CC -66.2PredN
NC(C(C)=O)C224987.122C4H9NO3-aminobutan-2-oneN156NC(C(C)=O)CInChI=1S/C4H9NO/c1-3(5)4(2)6/h3H,5H2,1-2H3InChIKey=OLYWGXUJESDUAC-UHFFFAOYSA-N119.9Ex 119.92(BP est) -31.88(MP est) ----(BP exp) ----(MP exp) NC(C(C)=O)C -31.9PredN
N[C@](C[C@]1(O)[H])(C1)[H]225087.122C4H9NO3-aminocyclobutan-1-olN156N[C@](C[C@]1(O)[H])(C1)[H]InChI=1S/C4H9NO/c5-3-1-4(6)2-3/h3-4,6H,1-2,5H2InChIKey=JLUZCHOYSPEHES-UHFFFAOYSA-N165.6Ex 165.56(BP est) -0.52(MP est) ----(BP exp) ----(MP exp) N[C@](C[C@]1(O)[H])(C1)[H] -0.5PredN
COC1CNC1225187.122C4H9NO3-methoxyazetidineN156COC1CNC1InChI=1S/C4H9NO/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3InChIKey=AVPAYFOQPGPSCC-UHFFFAOYSA-N117.9Ex 117.85(BP est) -20.74(MP est) ----(BP exp) ----(MP exp) COC1CNC1 -20.7PredN
OC1(C)CNC1225287.122C4H9NO3-methylazetidin-3-olN156OC1(C)CNC1InChI=1S/C4H9NO/c1-4(6)2-5-3-4/h5-6H,2-3H2,1H3InChIKey=LDLAEUFQUOXALI-UHFFFAOYSA-N149.4Ex 149.39(BP est) 19.71(MP est) ----(BP exp) ----(MP exp) OC1(C)CNC1 19.7PredN
NC1(C)COC1225387.122C4H9NO3-methyloxetan-3-amineN156NC1(C)COC1InChI=1S/C4H9NO/c1-4(5)2-6-3-4/h2-3,5H2,1H3InChIKey=NQVWMPOQWBDSAI-UHFFFAOYSA-N111.8Ex 111.81(BP est) -19.27(MP est) ----(BP exp) ----(MP exp) NC1(C)COC1 -19.3PredN
O=CCCCN225487.122C4H9NO4-aminobutanalN156O=CCCCNInChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2InChIKey=DZQLQEYLEYWJIB-UHFFFAOYSA-N146.9Ex 146.85(BP est) -20.49(MP est) ----(BP exp) ----(MP exp) O=CCCCN -20.5PredY(Irwin et al. 2012, ExPaSy 2015)
[H][C@]1(CO)NCC1225587.122C4H9NOazetidin-2-ylmethanolN156[H][C@]1(CO)NCC1InChI=1S/C4H9NO/c6-3-4-1-2-5-4/h4-6H,1-3H2InChIKey=FTWWNKCHSPDIQW-UHFFFAOYSA-N177.7Ex 177.72(BP est) 16.03(MP est) ----(BP exp) ----(MP exp) [H][C@]1(CO)NCC1 16PredN
OCC1CNC1225687.122C4H9NOazetidin-3-ylmethanolN156OCC1CNC1InChI=1S/C4H9NO/c6-3-4-1-5-2-4/h4-6H,1-3H2InChIKey=GNVWVYIAQBJHGV-UHFFFAOYSA-N177.7Ex 177.72(BP est) 16.03(MP est) ----(BP exp) ----(MP exp) OCC1CNC1 16PredN
C/C(CC)=N\O225787.122C4H9NObutan-2-one oximeN156C/C(CC)=N\OInChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3InChIKey=WHIVNJATOVLWBW-UHFFFAOYSA-N143.3Ex 157.13(BP est) -57.96(MP est) 152.50(BP exp) -29.50(MP exp) C/C(CC)=N\O -29.5ExptN
CCCC(N)=O225887.122C4H9NObutyramideN156CCCC(N)=OInChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)InChIKey=DNSISZSEWVHGLH-UHFFFAOYSA-N216.0Ex 217.43(BP est) 34.17(MP est) 216.00(BP exp) 114.80(MP exp) CCCC(N)=O 114.8ExptN
NCOC1CC1225987.122C4H9NOcyclopropoxymethanamineN156NCOC1CC1InChI=1S/C4H9NO/c5-3-6-4-1-2-4/h4H,1-3,5H2InChIKey=WIJPBLMGAUAQRN-UHFFFAOYSA-N116.6Ex 116.62(BP est) -30.23(MP est) ----(BP exp) ----(MP exp) NCOC1CC1 -30.2PredN
CC(C(N)=O)C226087.122C4H9NOisobutyramideN156CC(C(N)=O)CInChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)InChIKey=WFKAJVHLWXSISD-UHFFFAOYSA-N216.5Ex 205.75(BP est) 31.58(MP est) 218.00(BP exp) 128.00(MP exp) CC(C(N)=O)C 128ExptY(Maskey et al. 2004, Gu et al. 2013)
N1CCOCC1226187.122C4H9NOmorpholineN156N1CCOCC1InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2InChIKey=YNAVUWVOSKDBBP-UHFFFAOYSA-N128.1Ex 134.07(BP est) -15.24(MP est) 128.00(BP exp) -4.90(MP exp) N1CCOCC1 -4.9ExptN
CC(N(C)C)=O226287.122C4H9NON,N-dimethylacetamideN156CC(N(C)C)=OInChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3InChIKey=FXHOOIRPVKKKFG-UHFFFAOYSA-N160.6Ex 138.25(BP est) -28.45(MP est) 165.00(BP exp) -20.00(MP exp) CC(N(C)C)=O -20ExptY(de Lacy Costello et al. 2014, El-Sayed 2014)
CN(OC=C)C226387.122C4H9NON,N-dimethyl-O-vinylhydroxylamineN156CN(OC=C)CInChI=1S/C4H9NO/c1-4-6-5(2)3/h4H,1H2,2-3H3InChIKey=YXBSSMUABXJRJI-UHFFFAOYSA-N69.9Ex 69.93(BP est) -79.11(MP est) ----(BP exp) ----(MP exp) CN(OC=C)C -79.1PredN
CN(OC)C=C226487.122C4H9NON,O-dimethyl-N-vinylhydroxylamineN156CN(OC)C=CInChI=1S/C4H9NO/c1-4-5(2)6-3/h4H,1H2,2-3H3InChIKey=KOVKREMDGMTCAX-UHFFFAOYSA-N69.9Ex 69.93(BP est) -79.11(MP est) ----(BP exp) ----(MP exp) CN(OC)C=C -79.1PredN
CN(O)CC=C226587.122C4H9NON-allyl-N-methylhydroxylamineN156CN(O)CC=CInChI=1S/C4H9NO/c1-3-4-5(2)6/h3,6H,1,4H2,2H3InChIKey=VGNALWKWKNOBQP-UHFFFAOYSA-N218.2Ex 218.15(BP est) 6.54(MP est) ----(BP exp) ----(MP exp) CN(O)CC=C 6.5PredN
C=CCNOC226687.122C4H9NON-allyl-O-methylhydroxylamineN156C=CCNOCInChI=1S/C4H9NO/c1-3-4-5-6-2/h3,5H,1,4H2,2H3InChIKey=BYJRDCYSJQJVJP-UHFFFAOYSA-N92.1Ex 92.12(BP est) -62.53(MP est) ----(BP exp) ----(MP exp) C=CCNOC -62.5PredN
CC(NCC)=O226787.122C4H9NON-ethylacetamideN156CC(NCC)=OInChI=1S/C4H9NO/c1-3-5-4(2)6/h3H2,1-2H3,(H,5,6)InChIKey=PMDCZENCAXMSOU-UHFFFAOYSA-N258.0Ex 211.44(BP est) 31.67(MP est) 205.00(BP exp) ----(MP exp) CC(NCC)=O 31.7PredY(Mburu et al. 2011)
CCN(C=O)C226887.122C4H9NON-ethyl-N-methylformamideN156CCN(C=O)CInChI=1S/C4H9NO/c1-3-5(2)4-6/h4H,3H2,1-2H3InChIKey=FJLHLDBEZKTSOK-UHFFFAOYSA-N140.3Ex 140.33(BP est) -19.66(MP est) ----(BP exp) ----(MP exp) CCN(C=O)C -19.7PredN
CCN(O)C=C226987.122C4H9NON-ethyl-N-vinylhydroxylamineN156CCN(O)C=CInChI=1S/C4H9NO/c1-3-5(6)4-2/h3,6H,1,4H2,2H3InChIKey=AABXLWSLSOAJMK-UHFFFAOYSA-N218.2Ex 218.15(BP est) 6.54(MP est) ----(BP exp) ----(MP exp) CCN(O)C=C 6.5PredN
CCNOC=C227087.122C4H9NON-ethyl-O-vinylhydroxylamineN156CCNOC=CInChI=1S/C4H9NO/c1-3-5-6-4-2/h4-5H,2-3H2,1H3InChIKey=HOEMBLMZJQRMNM-UHFFFAOYSA-N92.1Ex 92.12(BP est) -62.53(MP est) ----(BP exp) ----(MP exp) CCNOC=C -62.5PredN
CC(C)NC=O227187.122C4H9NON-isopropylformamideN156CC(C)NC=OInChI=1S/C4H9NO/c1-4(2)5-3-6/h3-4H,1-2H3,(H,5,6)InChIKey=KVTGAKFJRLBHLU-UHFFFAOYSA-N201.4Ex 201.43(BP est) 28.23(MP est) ----(BP exp) ----(MP exp) CC(C)NC=O 28.2PredN
CNC1COC1227287.122C4H9NON-methyloxetan-3-amineN156CNC1COC1InChI=1S/C4H9NO/c1-5-4-2-6-3-4/h4-5H,2-3H2,1H3InChIKey=JUIXJPRSYHSLHK-UHFFFAOYSA-N105.8Ex 105.78(BP est) -48.28(MP est) ----(BP exp) ----(MP exp) CNC1COC1 -48.3PredN
CCC(NC)=O227387.122C4H9NON-methylpropionamideN156CCC(NC)=OInChI=1S/C4H9NO/c1-3-4(6)5-2/h3H2,1-2H3,(H,5,6)InChIKey=QJQAMHYHNCADNR-UHFFFAOYSA-N148.0Ex 211.44(BP est) 31.67(MP est) 148.00(BP exp) -30.90(MP exp) CCC(NC)=O -30.9ExptN
CCCNC=O227487.122C4H9NON-propylformamideN156CCCNC=OInChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)InChIKey=SUUDTPGCUKBECW-UHFFFAOYSA-N213.2Ex 213.23(BP est) 31.08(MP est) ----(BP exp) ----(MP exp) CCCNC=O 31.1PredN
NOCCC=C227587.122C4H9NOO-(but-3-en-1-yl)hydroxylamineN156NOCCC=CInChI=1S/C4H9NO/c1-2-3-4-6-5/h2H,1,3-5H2InChIKey=NFUCOPAOVWCNFH-UHFFFAOYSA-N110.9Ex 110.86(BP est) -41.76(MP est) ----(BP exp) ----(MP exp) NOCCC=C -41.8PredN
NOCC1CC1227687.122C4H9NOO-(cyclopropylmethyl)hydroxylamineN156NOCC1CC1InChI=1S/C4H9NO/c5-6-3-4-1-2-4/h4H,1-3,5H2InChIKey=YHNRUSMOYCDMJS-UHFFFAOYSA-N116.6Ex 116.62(BP est) -30.23(MP est) ----(BP exp) ----(MP exp) NOCC1CC1 -30.2PredN
CNOCC=C227787.122C4H9NOO-allyl-N-methylhydroxylamineN156CNOCC=CInChI=1S/C4H9NO/c1-3-4-6-5-2/h3,5H,1,4H2,2H3InChIKey=YPKMZAKXAWZBKP-UHFFFAOYSA-N92.1Ex 92.12(BP est) -62.53(MP est) ----(BP exp) ----(MP exp) CNOCC=C -62.5PredN
C=CNOCC227887.122C4H9NOO-ethyl-N-vinylhydroxylamineN156C=CNOCCInChI=1S/C4H9NO/c1-3-5-6-4-2/h3,5H,1,4H2,2H3InChIKey=DQUBDNDEZSNBCH-UHFFFAOYSA-N92.1Ex 92.12(BP est) -62.53(MP est) ----(BP exp) ----(MP exp) C=CNOCC -62.5PredN
NCC1OCC1227987.122C4H9NOoxetan-2-ylmethanamineN156NCC1OCC1InChI=1S/C4H9NO/c5-3-4-1-2-6-4/h4H,1-3,5H2InChIKey=QDEFNAHLCTUWAH-UHFFFAOYSA-N124.1Ex 124.12(BP est) -27.63(MP est) ----(BP exp) ----(MP exp) NCC1OCC1 -27.6PredN
NCC1COC1228087.122C4H9NOoxetan-3-ylmethanamineN156NCC1COC1InChI=1S/C4H9NO/c5-1-4-2-6-3-4/h4H,1-3,5H2InChIKey=KTHZBRAXOLUNBN-UHFFFAOYSA-N124.1Ex 124.12(BP est) -27.63(MP est) ----(BP exp) ----(MP exp) NCC1COC1 -27.6PredN
ON1CCCC1228187.122C4H9NOpyrrolidin-1-olN156ON1CCCC1InChI=1S/C4H9NO/c6-5-3-1-2-4-5/h6H,1-4H2InChIKey=CWLUFVAFWWNXJZ-UHFFFAOYSA-N229.9Ex 229.92(BP est) 20.19(MP est) ----(BP exp) ----(MP exp) ON1CCCC1 20.2PredN
[H][C@@]1(O)CNCC1228287.122C4H9NOpyrrolidin-3-olN156[H][C@@]1(O)CNCC1InChI=1S/C4H9NO/c6-4-1-2-5-3-4/h4-6H,1-3H2InChIKey=JHHZLHWJQPUNKB-UHFFFAOYSA-N172.9Ex 172.85(BP est) 12.85(MP est) ----(BP exp) ----(MP exp) [H][C@@]1(O)CNCC1 12.9PredN
NC1CCCO1228387.122C4H9NOtetrahydrofuran-2-amineN156NC1CCCO1InChI=1S/C4H9NO/c5-4-2-1-3-6-4/h4H,1-3,5H2InChIKey=KQOATKAFTRNONV-UHFFFAOYSA-N126.2Ex 126.24(BP est) -28.77(MP est) ----(BP exp) ----(MP exp) NC1CCCO1 -28.8PredN
N[C@]1(COCC1)[H]228487.122C4H9NOtetrahydrofuran-3-amineN156N[C@]1(COCC1)[H]InChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2InChIKey=MIPHRQMEIYLZFZ-UHFFFAOYSA-N126.2Ex 126.24(BP est) -28.77(MP est) ----(BP exp) ----(MP exp) N[C@]1(COCC1)[H] -28.8PredN
C=C(N)NNC228587.126C3H9N31-(2-methylhydrazineyl)ethen-1-amineN156C=C(N)NNCInChI=1S/C3H9N3/c1-3(4)6-5-2/h5-6H,1,4H2,2H3InChIKey=RZOPUUXGQBIQJJ-UHFFFAOYSA-N143.7Ex 143.65(BP est) -3.26(MP est) ----(BP exp) ----(MP exp) C=C(N)NNC -3.3PredN
CN(C(N)=N)C228687.126C3H9N31,1-dimethylguanidineN156CN(C(N)=N)CInChI=1S/C3H9N3/c1-6(2)3(4)5/h1-2H3,(H3,4,5)InChIKey=SWSQBOPZIKWTGO-UHFFFAOYSA-N156.6Ex 156.55(BP est) 6.33(MP est) ----(BP exp) ----(MP exp) CN(C(N)=N)C 6.3PredY(Mori et al. 1985, Gu et al. 2013)
CNC(NC)=N228787.126C3H9N31,3-dimethylguanidineN156CNC(NC)=NInChI=1S/C3H9N3/c1-5-3(4)6-2/h1-2H3,(H3,4,5,6)InChIKey=LINDOXZENKYESA-UHFFFAOYSA-N159.1Ex 159.06(BP est) 1.86(MP est) ----(BP exp) ----(MP exp) CNC(NC)=N 1.9PredY(Mori 1980, Gu et al. 2013)
CCNC(N)=N228887.126C3H9N31-ethylguanidineN156CCNC(N)=NInChI=1S/C3H9N3/c1-2-6-3(4)5/h2H2,1H3,(H4,4,5,6)InChIKey=KEWLVUBYGUZFKX-UHFFFAOYSA-N175.7Ex 175.74(BP est) 22.03(MP est) ----(BP exp) ----(MP exp) CCNC(N)=N 22PredN
NCC=C(N)N228987.126C3H9N3prop-1-ene-1,1,3-triamineN156NCC=C(N)NInChI=1S/C3H9N3/c4-2-1-3(5)6/h1H,2,4-6H2InChIKey=WVDZUGVTLODVIM-UHFFFAOYSA-N185.4Ex 185.39(BP est) 16.23(MP est) ----(BP exp) ----(MP exp) NCC=C(N)N 16.2PredN
CN=CC=S229087.14C3H5NS2-(methylimino)ethanethialN105CN=CC=SInChI=1S/C3H5NS/c1-4-2-3-5/h2-3H,1H3InChIKey=RCLGIYVKBNXTAI-UHFFFAOYSA-N38.0Ex 38.01(BP est) -114.88(MP est) ----(BP exp) ----(MP exp) CN=CC=S -114.9PredY(Irwin et al. 2012)
N#CCSC229187.14C3H5NS2-(methylthio)acetonitrileN105N#CCSCInChI=1S/C3H5NS/c1-5-3-2-4/h3H2,1H3InChIKey=ZRIGDBVSVFSVLL-UHFFFAOYSA-N162.0Ex 161.99(BP est) -34.64(MP est) ----(BP exp) ----(MP exp) N#CCSC -34.6PredN
SCCC#N229287.14C3H5NS3-mercaptopropanenitrileN105SCCC#NInChI=1S/C3H5NS/c4-2-1-3-5/h5H,1,3H2InChIKey=FCTXEFOUDMXDPD-UHFFFAOYSA-N174.8Ex 174.76(BP est) -29.88(MP est) ----(BP exp) ----(MP exp) SCCC#N -29.9PredN
S1CCN=C1229387.14C3H5NS4,5-dihydrothiazoleN105S1CCN=C1InChI=1S/C3H5NS/c1-2-5-3-4-1/h3H,1-2H2InChIKey=CBDKQYKMCICBOF-UHFFFAOYSA-N138.8Ex 123.87(BP est) -13.02(MP est) ----(BP exp) ----(MP exp) S1CCN=C1 -13PredN
CCN=C=S229487.14C3H5NSisothiocyanatoethaneN105CCN=C=SInChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3InChIKey=HBNYJWAFDZLWRS-UHFFFAOYSA-N130.5Ex 114.51(BP est) -50.64(MP est) 131.50(BP exp) -5.90(MP exp) CCN=C=S -5.9ExptY(DNP 2017)
CCSC#N229587.14C3H5NSthiocyanatoethaneN105CCSC#NInChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3InChIKey=WFCLYEAZTHWNEH-UHFFFAOYSA-N145.4Ex 161.99(BP est) -34.64(MP est) 146.00(BP exp) -85.50(MP exp) CCSC#N -85.5ExptY(El-Ghorab et al. 2007)
NCC(C)(C)C229687.166C5H13N2,2-dimethylpropan-1-amineN196NCC(C)(C)CInChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3InChIKey=XDIAMRVROCPPBK-UHFFFAOYSA-N78.6Ex 87.70(BP est) -51.91(MP est) 82.00(BP exp) ----(MP exp) NCC(C)(C)C -51.9PredN
NCC(CC)C229787.166C5H13N2-methylbutan-1-amineN196NCC(CC)CInChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3InChIKey=VJROPLWGFCORRM-UHFFFAOYSA-N95.5Ex 97.33(BP est) -57.81(MP est) ----(BP exp) ----(MP exp) NCC(CC)C -57.8PredY(Schulz and Dickschat 2007)
NC(C)(CC)C229887.166C5H13N2-methylbutan-2-amineN196NC(C)(CC)CInChI=1S/C5H13N/c1-4-5(2,3)6/h4,6H2,1-3H3InChIKey=GELMWIVBBPAMIO-UHFFFAOYSA-N76.4Ex 87.70(BP est) -51.91(MP est) 77.00(BP exp) -105.00(MP exp) NC(C)(CC)C -105ExptN
NCCC(C)C229987.166C5H13N3-methylbutan-1-amineN196NCCC(C)CInChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3InChIKey=BMFVGAAISNGQNM-UHFFFAOYSA-N96.0Ex 97.33(BP est) -57.81(MP est) 96.00(BP exp) ----(MP exp) NCCC(C)C -57.8PredY(Schulz and Dickschat 2007, Irwin et al. 2012, DNP 2017)
NC(C(C)C)C230087.166C5H13N3-methylbutan-2-amineN196NC(C(C)C)CInChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3InChIKey=JOZZAIIGWFLONA-UHFFFAOYSA-N84.8Ex 82.63(BP est) -69.60(MP est) 85.50(BP exp) -50.00(MP exp) NC(C(C)C)C -50ExptY(Ta?k?n et al. 2013)
CNCC(C)C230187.166C5H13NN,2-dimethylpropan-1-amineN196CNCC(C)CInChI=1S/C5H13N/c1-5(2)4-6-3/h5-6H,4H2,1-3H3InChIKey=QKYWADPCTHTJHQ-UHFFFAOYSA-N77.8Ex 78.19(BP est) -78.70(MP est) ----(BP exp) ----(MP exp) CNCC(C)C -78.7PredY(Glogowski et al. 2006, de Lacy Costello et al. 2014)
CNC(C)(C)C230287.166C5H13NN,2-dimethylpropan-2-amineN196CNC(C)(C)CInChI=1S/C5H13N/c1-5(2,3)6-4/h6H,1-4H3InChIKey=ZQGJEUVBUVKZKS-UHFFFAOYSA-N70.3Ex 68.28(BP est) -72.88(MP est) ----(BP exp) ----(MP exp) CNC(C)(C)C -72.9PredN
CN(CCC)C230387.166C5H13NN,N-dimethylpropan-1-amineN196CN(CCC)CInChI=1S/C5H13N/c1-4-5-6(2)3/h4-5H2,1-3H3InChIKey=ZUHZZVMEUAUWHY-UHFFFAOYSA-N63.4Ex 70.83(BP est) -83.44(MP est) 66.00(BP exp) ----(MP exp) CN(CCC)C -83.4PredY(Revathi et al. 2014)
CN(C(C)C)C230487.166C5H13NN,N-dimethylpropan-2-amineN196CN(C(C)C)CInChI=1S/C5H13N/c1-5(2)6(3)4/h5H,1-4H3InChIKey=VMOWKUTXPNPTEN-UHFFFAOYSA-N66.0Ex 55.54(BP est) -95.41(MP est) 66.00(BP exp) ----(MP exp) CN(C(C)C)C -95.4PredN
CN(CC)CC230587.166C5H13NN-ethyl-N-methylethanamineN196CN(CC)CCInChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3InChIKey=GNVRJGIVDSQCOP-UHFFFAOYSA-N64.6Ex 70.83(BP est) -83.44(MP est) 66.00(BP exp) -196.00(MP exp) CN(CC)CC -196ExptN
CCNCCC230687.166C5H13NN-ethylpropan-1-amineN196CCNCCCInChI=1S/C5H13N/c1-3-5-6-4-2/h6H,3-5H2,1-2H3InChIKey=XCVNDBIXFPGMIW-UHFFFAOYSA-N75.3Ex 93.00(BP est) -66.88(MP est) 81.00(BP exp) ----(MP exp) CCNCCC -66.9PredN
CCNC(C)C230787.166C5H13NN-ethylpropan-2-amineN196CCNC(C)CInChI=1S/C5H13N/c1-4-6-5(2)3/h5-6H,4H2,1-3H3InChIKey=RIVIDPPYRINTTH-UHFFFAOYSA-N79.0Ex 78.19(BP est) -78.70(MP est) 69.60(BP exp) ----(MP exp) CCNC(C)C -78.7PredN
CNCCCC230887.166C5H13NN-methylbutan-1-amineN196CNCCCCInChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3InChIKey=QCOGKXLOEWLIDC-UHFFFAOYSA-N91.0Ex 93.00(BP est) -66.88(MP est) 91.00(BP exp) -75.00(MP exp) CNCCCC -75ExptY(Irvine and Saxby 1969)
CNC(CC)C230987.166C5H13NN-methylbutan-2-amineN196CNC(CC)CInChI=1S/C5H13N/c1-4-5(2)6-3/h5-6H,4H2,1-3H3InChIKey=PYFSCIWXNSXGNS-UHFFFAOYSA-N78.5Ex 78.19(BP est) -78.70(MP est) ----(BP exp) ----(MP exp) CNC(CC)C -78.7PredN
NCCCCC231087.166C5H13Npentan-1-amineN196NCCCCCInChI=1S/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3InChIKey=DPBLXKKOBLCELK-UHFFFAOYSA-N104.0Ex 111.71(BP est) -46.11(MP est) 104.30(BP exp) -55.00(MP exp) NCCCCC -55ExptY(Gu et al. 2013)
NC(CCC)C231187.166C5H13Npentan-2-amineN196NC(CCC)CInChI=1S/C5H13N/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3InChIKey=IGEIPFLJVCPEKU-UHFFFAOYSA-N104.3Ex 97.33(BP est) -57.81(MP est) 92.00(BP exp) ----(MP exp) NC(CCC)C -57.8PredY(The Good Scents Company)
NC(CC)CC231287.166C5H13Npentan-3-amineN196NC(CC)CCInChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3InChIKey=PQPFFKCJENSZKL-UHFFFAOYSA-N90.0Ex 97.33(BP est) -57.81(MP est) 89.00(BP exp) ----(MP exp) NC(CC)CC -57.8PredN
OB1OCCO1231587.869C2H5BO31,3,2-dioxaborolan-2-olN116OB1OCCO1InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2InChIKey=ZBEDLGKSWBORBS-UHFFFAOYSA-N154.2Ex 154.21(BP est) -31.61(MP est) ----(BP exp) ----(MP exp) OB1OCCO1 -31.6PredN
O(B(OC)C)C231887.913C3H9BO2dimethyl methylboronateN156O(B(OC)C)CInChI=1S/C3H9BO2/c1-4(5-2)6-3/h1-3H3InChIKey=BINBUVDYVMWEGQ-UHFFFAOYSA-N46.7Ex 46.69(BP est) -101.45(MP est) ----(BP exp) ----(MP exp) O(B(OC)C)C -101.5PredN
CCB(F)CC231987.9324C4H10BFdiethylfluoroboraneN166CCB(F)CCInChI=1S/C4H10BF/c1-3-5(6)4-2/h3-4H2,1-2H3InChIKey=GRYISIJQPOEWPF-UHFFFAOYSA-N20.8Ex 20.83(BP est) -125.30(MP est) ----(BP exp) ----(MP exp) CCB(F)CC -125.3PredN
S(B(C)C)C232087.975C3H9BSdimethyl(methylthio)boraneN145S(B(C)C)CInChI=1S/C3H9BS/c1-4(2)5-3/h1-3H3InChIKey=IRBDKNYDCMQWNI-UHFFFAOYSA-N71.0Ex 66.88(BP est) -100.59(MP est) 71.00(BP exp) -84.00(MP exp) S(B(C)C)C -84ExptN
C(F)(F)(F)(F)232188.0046CF4perfluoromethaneN55C(F)(F)(F)(F)InChI=1S/CF4/c2-1(3,4)5InChIKey=TXEYQDLBPFQVAA-UHFFFAOYSA-N-127.8Ex -83.29(BP est) -164.82(MP est) -128.00(BP exp) -183.50(MP exp) C(F)(F)(F)(F) -183.5ExptN
C(=O)(N=O)N=O232288.022CN2O3dinitrosomethanoneN66C(=O)(N=O)N=OInChI=1S/CN2O3/c4-1(2-5)3-6InChIKey=XTGVRZKBSFJWPZ-UHFFFAOYSA-N73.5Ex 73.53(BP est) -39.69(MP est) ----(BP exp) ----(MP exp) C(=O)(N=O)N=O -39.7PredN
OC(=O)C#C(F)232388.0374C3HFO23-fluoropropiolic acidN76OC(=O)C#C(F)InChI=1S/C3HFO2/c4-2-1-3(5)6/h(H,5,6)InChIKey=CCHIKKLFBIUZKG-UHFFFAOYSA-N163.0Ex 163.02(BP est) 15.57(MP est) ----(BP exp) ----(MP exp) OC(=O)C#C(F) 15.6PredN
O=P1C=CC1232488.0458C3H5OP2H-phosphete 1-oxideN105O=P1C=CC1InChI=1S/C3H5OP/c4-5-2-1-3-5/h1-2,5H,3H2InChIKey=HVCKXOKOODNRLU-UHFFFAOYSA-N120.3Ex 120.31(BP est) -60.03(MP est) ----(BP exp) ----(MP exp) O=P1C=CC1 -60PredN
O=PCC=C232588.0458C3H5OPallyl(oxo)phosphaneN105O=PCC=CInChI=1S/C3H5OP/c1-2-3-5-4/h2H,1,3H2InChIKey=CHHGJUKKYSXJTF-UHFFFAOYSA-N106.8Ex 106.82(BP est) -68.13(MP est) ----(BP exp) ----(MP exp) O=PCC=C -68.1PredN
C#CPOC232788.0458C3H5OPethynyl(methoxy)phosphaneN105C#CPOCInChI=1S/C3H5OP/c1-3-5-4-2/h1,5H,2H3InChIKey=KPJZXOGNSHAAOQ-UHFFFAOYSA-N73.1Ex 73.13(BP est) -68.18(MP est) ----(BP exp) ----(MP exp) C#CPOC -68.2PredN
O=P(C)C#C232888.0458C3H5OPethynyl(methyl)phosphine oxideN105O=P(C)C#CInChI=1S/C3H5OP/c1-3-5(2)4/h1,5H,2H3InChIKey=IFPIBAOWKGBDCP-UHFFFAOYSA-N114.7Ex 114.69(BP est) -49.66(MP est) ----(BP exp) ----(MP exp) O=P(C)C#C -49.7PredN
C1CPN=N1233188.0498C2H5N2P4,5-dihydro-3H-1,2,3-diazaphospholeN105C1CPN=N1InChI=1S/C2H5N2P/c1-2-5-4-3-1/h5H,1-2H2InChIKey=BMVPOIQQWVXSEB-UHFFFAOYSA-N111.4Ex 111.38(BP est) -15.99(MP est) ----(BP exp) ----(MP exp) C1CPN=N1 -16PredN
C(F)(F)=C(C#C)233288.0568C4H2F21,1-difluorobut-1-en-3-yneN86C(F)(F)=C(C#C)InChI=1S/C4H2F2/c1-2-3-4(5)6/h1,3HInChIKey=JTUMZOAMKDBEJR-UHFFFAOYSA-N35.1Ex 35.06(BP est) -101.20(MP est) ----(BP exp) ----(MP exp) C(F)(F)=C(C#C) -101.2PredN
C(F)=C(F)(C#C)233388.0568C4H2F21,2-difluorobut-1-en-3-yneN86C(F)=C(F)(C#C)InChI=1S/C4H2F2/c1-2-4(6)3-5/h1,3HInChIKey=LJFWPBOLQTWFRE-UHFFFAOYSA-N35.1Ex 35.06(BP est) -101.20(MP est) ----(BP exp) ----(MP exp) C(F)=C(F)(C#C) -101.2PredN
C(F)=C(C#CF)233488.0568C4H2F21,4-difluorobut-1-en-3-yneN86C(F)=C(C#CF)InChI=1S/C4H2F2/c5-3-1-2-4-6/h1,3HInChIKey=LASBQYVRJHKTRA-UHFFFAOYSA-N51.9Ex 51.91(BP est) -59.74(MP est) ----(BP exp) ----(MP exp) C(F)=C(C#CF) -59.7PredN
C=C(F)(C#CF)233588.0568C4H2F22,4-difluorobut-1-en-3-yneN86C=C(F)(C#CF)InChI=1S/C4H2F2/c1-4(6)2-3-5/h1H2InChIKey=GDNJCADQDBLHNQ-UHFFFAOYSA-N34.8Ex 34.81(BP est) -70.05(MP est) ----(BP exp) ----(MP exp) C=C(F)(C#CF) -70.1PredN
O=C1OCCO1233688.062C3H4O31,3-dioxolan-2-oneN106O=C1OCCO1InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2InChIKey=KMTRUDSVKNLOMY-UHFFFAOYSA-N247.0Ex 286.72(BP est) 12.90(MP est) 248.00(BP exp) 39.50(MP exp) O=C1OCCO1 39.5ExptN
O=C(C)C(O)=O233788.062C3H4O32-oxopropanoic acidN106O=C(C)C(O)=OInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)InChIKey=LCTONWCANYUPML-UHFFFAOYSA-N165.0Ex 186.79(BP est) 28.17(MP est) ----(BP exp) 13.80(MP exp) O=C(C)C(O)=O 13.8ExptY(Irwin et al. 2012, ExPaSy 2015)
O=C(O)CC=O233888.062C3H4O33-oxopropanoic acidN106O=C(O)CC=OInChI=1S/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)InChIKey=OAKURXIZZOAYBC-UHFFFAOYSA-N198.6Ex 198.57(BP est) 27.65(MP est) ----(BP exp) ----(MP exp) O=C(O)CC=O 27.7PredY(ExPaSy 2015, DNP 2017)
O=C1OC(O)C1233988.062C3H4O34-hydroxyoxetan-2-oneN106O=C1OC(O)C1InChI=1S/C3H4O3/c4-2-1-3(5)6-2/h2,4H,1H2InChIKey=VZNKYYYANZLXLS-UHFFFAOYSA-N217.8Ex 217.75(BP est) -5.75(MP est) ----(BP exp) ----(MP exp) O=C1OC(O)C1 -5.8PredY(DNP 2017)
COC(C=O)=O234088.062C3H4O3methyl 2-oxoacetateN106COC(C=O)=OInChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3InChIKey=KFKXSMSQHIOMSO-UHFFFAOYSA-N115.0Ex 114.98(BP est) -55.89(MP est) ----(BP exp) ----(MP exp) COC(C=O)=O -55.9PredN
O=NCCN=O234188.066C2H4N2O21,2-dinitrosoethaneN106O=NCCN=OInChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2H2InChIKey=FZJOTJQBGGNWAW-UHFFFAOYSA-N39.2Ex 39.16(BP est) -14.46(MP est) ----(BP exp) ----(MP exp) O=NCCN=O -14.5PredN
NC(C(O)=O)=N234288.066C2H4N2O22-amino-2-iminoacetic acidN106NC(C(O)=O)=NInChI=1S/C2H4N2O2/c3-1(4)2(5)6/h(H3,3,4)(H,5,6)InChIKey=WHSFCMKKZRMSEQ-UHFFFAOYSA-N238.9Ex 238.90(BP est) 57.32(MP est) ----(BP exp) ----(MP exp) NC(C(O)=O)=N 57.3PredN
O=[N+](/C=C\N)[O-]234388.066C2H4N2O22-nitroethen-1-amineN106O=[N+](/C=C\N)[O-]InChI=1S/C2H4N2O2/c3-1-2-4(5)6/h1-2H,3H2InChIKey=IXAGRXJIXIPQDR-UHFFFAOYSA-N159.4Ex 159.39(BP est) 20.17(MP est) ----(BP exp) ----(MP exp) O=[N+](/C=C\N)[O-] 20.2PredN
O=C(N)NC=O234488.066C2H4N2O2N-carbamoylformamideN106O=C(N)NC=OInChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)InChIKey=JOWMUPQBELRFRZ-UHFFFAOYSA-N321.0Ex 320.99(BP est) 119.88(MP est) ----(BP exp) ----(MP exp) O=C(N)NC=O 119.9PredN
O=CNNC=O234588.066C2H4N2O2N'-formylformohydrazideN106O=CNNC=OInChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)InChIKey=POVXOWVFLAAVBH-UHFFFAOYSA-N318.1Ex 318.05(BP est) 117.51(MP est) ----(BP exp) 156.00(MP exp) O=CNNC=O 156ExptN
NC(C(N)=O)=O234688.066C2H4N2O2oxalamideN106NC(C(N)=O)=OInChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)InChIKey=YIKSCQDJHCMVMK-UHFFFAOYSA-N323.9Ex 323.89(BP est) 122.23(MP est) ----(BP exp) 350.00(MP exp) NC(C(N)=O)=O 350ExptN
C(=N)(N)NN=O234788.07CH4N4O1-nitrosoguanidineN106C(=N)(N)NN=OInChI=1S/CH4N4O/c2-1(3)4-5-6/h(H4,2,3,4,6)InChIKey=WTLKTXIHIHFSGU-UHFFFAOYSA-N162.3Ex 162.32(BP est) 21.82(MP est) ----(BP exp) ----(MP exp) C(=N)(N)NN=O 21.8PredN
CC#COC(F)234888.0814C4H5FO1-(fluoromethoxy)prop-1-yneN116CC#COC(F)InChI=1S/C4H5FO/c1-2-3-6-4-5/h4H2,1H3InChIKey=IZHPIDDEZXVJTH-UHFFFAOYSA-N68.0Ex 68.04(BP est) -41.67(MP est) ----(BP exp) ----(MP exp) CC#COC(F) -41.7PredN
C=COC(F)=C234988.0814C4H5FO1-fluoro-1-(vinyloxy)etheneN116C=COC(F)=CInChI=1S/C4H5FO/c1-3-6-4(2)5/h3H,1-2H2InChIKey=OWHPGRQGKQRWIM-UHFFFAOYSA-N38.6Ex 38.55(BP est) -112.07(MP est) ----(BP exp) ----(MP exp) C=COC(F)=C -112.1PredN
C=COC=C(F)235088.0814C4H5FO1-fluoro-2-(vinyloxy)etheneN116C=COC=C(F)InChI=1S/C4H5FO/c1-2-6-4-3-5/h2-4H,1H2InChIKey=JSZXJSAAUNIPPB-UHFFFAOYSA-N55.6Ex 55.56(BP est) -101.78(MP est) ----(BP exp) ----(MP exp) C=COC=C(F) -101.8PredN
COC(C#CF)235188.0814C4H5FO1-fluoro-3-methoxyprop-1-yneN116COC(C#CF)InChI=1S/C4H5FO/c1-6-4-2-3-5/h4H2,1H3InChIKey=IXHYJNOHIDNADQ-UHFFFAOYSA-N68.0Ex 68.04(BP est) -41.67(MP est) ----(BP exp) ----(MP exp) COC(C#CF) -41.7PredN
FC12C(O2)CC1235288.0814C4H5FO1-fluoro-5-oxabicyclo[2.1.0]pentaneN116FC12C(O2)CC1InChI=1S/C4H5FO/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=CRIKXVGTCJJMNT-UHFFFAOYSA-N48.3Ex 48.31(BP est) -66.66(MP est) ----(BP exp) ----(MP exp) FC12C(O2)CC1 -66.7PredN
OC(F)(CC#C)235388.0814C4H5FO1-fluorobut-3-yn-1-olN116OC(F)(CC#C)InChI=1S/C4H5FO/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=QJAQCGVBRHUIRN-UHFFFAOYSA-N102.6Ex 102.59(BP est) -49.35(MP est) ----(BP exp) ----(MP exp) OC(F)(CC#C) -49.4PredN
OC(CF)(C#C)235488.0814C4H5FO1-fluorobut-3-yn-2-olN116OC(CF)(C#C)InChI=1S/C4H5FO/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=LDFLKJDUVJKHQB-UHFFFAOYSA-N102.6Ex 102.59(BP est) -49.35(MP est) ----(BP exp) ----(MP exp) OC(CF)(C#C) -49.4PredN
OC(F)(C1)(C=C1)235588.0814C4H5FO1-fluorocyclobut-2-en-1-olN116OC(F)(C1)(C=C1)InChI=1S/C4H5FO/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=XYBFWQZHTSNEBM-UHFFFAOYSA-N94.2Ex 94.17(BP est) -48.25(MP est) ----(BP exp) ----(MP exp) OC(F)(C1)(C=C1) -48.3PredN
C(=O)C(F)(C1)(C1)235688.0814C4H5FO1-fluorocyclopropane-1-carbaldehydeN116C(=O)C(F)(C1)(C1)InChI=1S/C4H5FO/c5-4(3-6)1-2-4/h3H,1-2H2InChIKey=INBDWECLMHXJTH-UHFFFAOYSA-N78.4Ex 78.41(BP est) -60.89(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(C1)(C1) -60.9PredN
FC(C)C1=CO1235788.0814C4H5FO2-(1-fluoroethyl)oxireneN116FC(C)C1=CO1InChI=1S/C4H5FO/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=NTOHMSMIOPHFTI-UHFFFAOYSA-N53.0Ex 53.00(BP est) -86.71(MP est) ----(BP exp) ----(MP exp) FC(C)C1=CO1 -86.7PredN
FC(C1CO1)=C235888.0814C4H5FO2-(1-fluorovinyl)oxiraneN116FC(C1CO1)=CInChI=1S/C4H5FO/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=NEPNZAHXLBBEHO-UHFFFAOYSA-N50.9Ex 50.94(BP est) -96.43(MP est) ----(BP exp) ----(MP exp) FC(C1CO1)=C -96.4PredN
FCCC1=CO1235988.0814C4H5FO2-(2-fluoroethyl)oxireneN116FCCC1=CO1InChI=1S/C4H5FO/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=ZGOBNWFVQZEGKE-UHFFFAOYSA-N68.4Ex 68.35(BP est) -74.73(MP est) ----(BP exp) ----(MP exp) FCCC1=CO1 -74.7PredN
FC=CC1CO1236088.0814C4H5FO2-(2-fluorovinyl)oxiraneN116FC=CC1CO1InChI=1S/C4H5FO/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=IMIRWYAFWOUCHQ-UHFFFAOYSA-N67.7Ex 67.66(BP est) -86.23(MP est) ----(BP exp) ----(MP exp) FC=CC1CO1 -86.2PredN
CC(O1)=C1CF236188.0814C4H5FO2-(fluoromethyl)-3-methyloxireneN116CC(O1)=C1CFInChI=1S/C4H5FO/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=OBUDKNPOQLJVIC-UHFFFAOYSA-N66.2Ex 66.18(BP est) -69.10(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1CF -69.1PredN
C(=O)C(CF)=C236288.0814C4H5FO2-(fluoromethyl)acrylaldehydeN116C(=O)C(CF)=CInChI=1S/C4H5FO/c1-4(2-5)3-6/h3H,1-2H2InChIKey=IVEALGAUPRLFSI-UHFFFAOYSA-N78.7Ex 78.65(BP est) -89.59(MP est) ----(BP exp) ----(MP exp) C(=O)C(CF)=C -89.6PredN
FC(O1)=C1CC236388.0814C4H5FO2-ethyl-3-fluorooxireneN116FC(O1)=C1CCInChI=1S/C4H5FO/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=ZPSPCPFMPDEQHW-UHFFFAOYSA-N66.2Ex 66.18(BP est) -69.10(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1CC -69.1PredN
FC1C2(CC2)O1236488.0814C4H5FO2-fluoro-1-oxaspiro[2.2]pentaneN116FC1C2(CC2)O1InChI=1S/C4H5FO/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=AQPDMTTWJDTCRT-UHFFFAOYSA-N48.3Ex 48.31(BP est) -66.66(MP est) ----(BP exp) ----(MP exp) FC1C2(CC2)O1 -66.7PredN
FC1(C=C)CO1236588.0814C4H5FO2-fluoro-2-vinyloxiraneN116FC1(C=C)CO1InChI=1S/C4H5FO/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=WIJGQXGJZDTTIJ-UHFFFAOYSA-N44.3Ex 44.33(BP est) -79.43(MP est) ----(BP exp) ----(MP exp) FC1(C=C)CO1 -79.4PredN
FC1C(C=C)O1236688.0814C4H5FO2-fluoro-3-vinyloxiraneN116FC1C(C=C)O1InChI=1S/C4H5FO/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=TWHUDPDLVWHVNV-UHFFFAOYSA-N50.5Ex 50.50(BP est) -91.70(MP est) ----(BP exp) ----(MP exp) FC1C(C=C)O1 -91.7PredN
FC1CC2C1O2236788.0814C4H5FO2-fluoro-5-oxabicyclo[2.1.0]pentaneN116FC1CC2C1O2InChI=1S/C4H5FO/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=TUHFDCFUZFNZGA-UHFFFAOYSA-N54.4Ex 54.44(BP est) -78.94(MP est) ----(BP exp) ----(MP exp) FC1CC2C1O2 -78.9PredN
C(=O)C(F)=C(C)236888.0814C4H5FO2-fluorobut-2-enalN116C(=O)C(F)=C(C)InChI=1S/C4H5FO/c1-2-4(5)3-6/h2-3H,1H3InChIKey=QHVYVQRIAQVFIB-UHFFFAOYSA-N88.1Ex 88.08(BP est) -88.50(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)=C(C) -88.5PredN
C(=O)C(F)(C=C)236988.0814C4H5FO2-fluorobut-3-enalN116C(=O)C(F)(C=C)InChI=1S/C4H5FO/c1-2-4(5)3-6/h2-4H,1H2InChIKey=WCFFFEPEUHTPSS-UHFFFAOYSA-N70.4Ex 70.42(BP est) -92.52(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(C=C) -92.5PredN
OC(C(F)C#C)237088.0814C4H5FO2-fluorobut-3-yn-1-olN116OC(C(F)C#C)InChI=1S/C4H5FO/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=CFNUTTJLKYTIMJ-UHFFFAOYSA-N110.3Ex 110.28(BP est) -47.10(MP est) ----(BP exp) ----(MP exp) OC(C(F)C#C) -47.1PredN
OC(F)(C)(C#C)237188.0814C4H5FO2-fluorobut-3-yn-2-olN116OC(F)(C)(C#C)InChI=1S/C4H5FO/c1-3-4(2,5)6/h1,6H,2H3InChIKey=IMLOLBCMZJCNBO-UHFFFAOYSA-N81.6Ex 81.60(BP est) -46.77(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(C#C) -46.8PredN
OC(C1)(C(F)=C1)237288.0814C4H5FO2-fluorocyclobut-2-en-1-olN116OC(C1)(C(F)=C1)InChI=1S/C4H5FO/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=ZOYVKKVQELCSSF-UHFFFAOYSA-N115.8Ex 115.83(BP est) -47.62(MP est) ----(BP exp) ----(MP exp) OC(C1)(C(F)=C1) -47.6PredN
C(=O)C(C1)(C1F)237388.0814C4H5FO2-fluorocyclopropane-1-carbaldehydeN116C(=O)C(C1)(C1F)InChI=1S/C4H5FO/c5-4-1-3(4)2-6/h2-4H,1H2InChIKey=KQRXEQPHXJGWGQ-UHFFFAOYSA-N84.3Ex 84.28(BP est) -73.24(MP est) ----(BP exp) ----(MP exp) C(=O)C(C1)(C1F) -73.2PredN
C(F)OC(C#C)237488.0814C4H5FO3-(fluoromethoxy)prop-1-yneN116C(F)OC(C#C)InChI=1S/C4H5FO/c1-2-3-6-4-5/h1H,3-4H2InChIKey=JLTLRONZILTXDJ-UHFFFAOYSA-N58.6Ex 58.57(BP est) -74.00(MP est) ----(BP exp) ----(MP exp) C(F)OC(C#C) -74PredN
C(F)C#COC237588.0814C4H5FO3-fluoro-1-methoxyprop-1-yneN116C(F)C#COCInChI=1S/C4H5FO/c1-6-4-2-3-5/h3H2,1H3InChIKey=VXLWMRFCRPJYNS-UHFFFAOYSA-N68.0Ex 68.04(BP est) -41.67(MP est) ----(BP exp) ----(MP exp) C(F)C#COC -41.7PredN
C(=O)C(C)=C(F)237688.0814C4H5FO3-fluoro-2-methylacrylaldehydeN116C(=O)C(C)=C(F)InChI=1S/C4H5FO/c1-4(2-5)3-6/h2-3H,1H3InChIKey=CLKBKSGAGYWMIR-UHFFFAOYSA-N88.1Ex 88.08(BP est) -88.50(MP est) ----(BP exp) ----(MP exp) C(=O)C(C)=C(F) -88.5PredN
COC(F)(C#C)237788.0814C4H5FO3-fluoro-3-methoxyprop-1-yneN116COC(F)(C#C)InChI=1S/C4H5FO/c1-3-4(5)6-2/h1,4H,2H3InChIKey=FUNLTMXVWKGFSA-UHFFFAOYSA-N43.0Ex 43.01(BP est) -86.04(MP est) ----(BP exp) ----(MP exp) COC(F)(C#C) -86PredN
C(=O)C=C(F)(C)237888.0814C4H5FO3-fluorobut-2-enalN116C(=O)C=C(F)(C)InChI=1S/C4H5FO/c1-4(5)2-3-6/h2-3H,1H3InChIKey=BKYOYQMAMYSBFC-UHFFFAOYSA-N88.1Ex 88.08(BP est) -88.50(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(F)(C) -88.5PredN
C(=O)C(C(F)=C)237988.0814C4H5FO3-fluorobut-3-enalN116C(=O)C(C(F)=C)InChI=1S/C4H5FO/c1-4(5)2-3-6/h3H,1-2H2InChIKey=GQRRKXPRWNPPTM-UHFFFAOYSA-N78.7Ex 78.65(BP est) -89.59(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(F)=C) -89.6PredN
OC(C1)(C=C1F)238088.0814C4H5FO3-fluorocyclobut-2-en-1-olN116OC(C1)(C=C1F)InChI=1S/C4H5FO/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=GUWMEPNCCAUVDG-UHFFFAOYSA-N115.8Ex 115.83(BP est) -47.62(MP est) ----(BP exp) ----(MP exp) OC(C1)(C=C1F) -47.6PredN
FC1C2(C1)CO2238188.0814C4H5FO4-fluoro-1-oxaspiro[2.2]pentaneN116FC1C2(C1)CO2InChI=1S/C4H5FO/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=YNTVEWZBTAPHKC-UHFFFAOYSA-N48.3Ex 48.31(BP est) -66.66(MP est) ----(BP exp) ----(MP exp) FC1C2(C1)CO2 -66.7PredN
C(=O)C=C(CF)238288.0814C4H5FO4-fluorobut-2-enalN116C(=O)C=C(CF)InChI=1S/C4H5FO/c5-3-1-2-4-6/h1-2,4H,3H2InChIKey=BKQNGQBUTFQUGI-UHFFFAOYSA-N94.7Ex 94.73(BP est) -79.58(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(CF) -79.6PredN
C(=O)C(C=CF)238388.0814C4H5FO4-fluorobut-3-enalN116C(=O)C(C=CF)InChI=1S/C4H5FO/c5-3-1-2-4-6/h1,3-4H,2H2InChIKey=QOTUPUIZZSTPMS-UHFFFAOYSA-N94.7Ex 94.73(BP est) -79.58(MP est) ----(BP exp) ----(MP exp) C(=O)C(C=CF) -79.6PredN
OC(CC#CF)238488.0814C4H5FO4-fluorobut-3-yn-1-olN116OC(CC#CF)InChI=1S/C4H5FO/c5-3-1-2-4-6/h6H,2,4H2InChIKey=LVCLIDRPSGQIKQ-UHFFFAOYSA-N132.9Ex 132.92(BP est) -3.43(MP est) ----(BP exp) ----(MP exp) OC(CC#CF) -3.4PredN
OC(C)(C#CF)238588.0814C4H5FO4-fluorobut-3-yn-2-olN116OC(C)(C#CF)InChI=1S/C4H5FO/c1-4(6)2-3-5/h4,6H,1H3InChIKey=INFDBGTTZFARHX-UHFFFAOYSA-N111.5Ex 111.46(BP est) -17.20(MP est) ----(BP exp) ----(MP exp) OC(C)(C#CF) -17.2PredN
OC(C1F)(C=C1)238688.0814C4H5FO4-fluorocyclobut-2-en-1-olN116OC(C1F)(C=C1)InChI=1S/C4H5FO/c5-3-1-2-4(3)6/h1-4,6HInChIKey=WLYWBYZRMQPCKU-UHFFFAOYSA-N111.0Ex 111.03(BP est) -57.40(MP est) ----(BP exp) ----(MP exp) OC(C1F)(C=C1) -57.4PredN
N#CSN=O238788.084CN2OScyanic nitrous thioanhydrideN55N#CSN=OInChI=1S/CN2OS/c2-1-5-3-4InChIKey=GKCLFRIPYBZAML-UHFFFAOYSA-N148.2Ex 148.19(BP est) 5.75(MP est) ----(BP exp) ----(MP exp) N#CSN=O 5.8PredN
NNC(F)(C#C)238888.0854C3H5FN2(1-fluoroprop-2-yn-1-yl)hydrazineN116NNC(F)(C#C)InChI=1S/C3H5FN2/c1-2-3(4)6-5/h1,3,6H,5H2InChIKey=WELOOLZIGWSOEO-UHFFFAOYSA-N105.0Ex 104.97(BP est) -16.74(MP est) ----(BP exp) ----(MP exp) NNC(F)(C#C) -16.7PredN
NNC(C#CF)238988.0854C3H5FN2(3-fluoroprop-2-yn-1-yl)hydrazineN116NNC(C#CF)InChI=1S/C3H5FN2/c4-2-1-3-6-5/h6H,3,5H2InChIKey=NYFLXZAYPFWITG-UHFFFAOYSA-N127.8Ex 127.80(BP est) 26.99(MP est) ----(BP exp) ----(MP exp) NNC(C#CF) 27PredN
CC1(P)CC1239088.0898C4H9P(1-methylcyclopropyl)phosphaneN145CC1(P)CC1InChI=1S/C4H9P/c1-4(5)2-3-4/h2-3,5H2,1H3InChIKey=CBBKHLTUXRTICV-UHFFFAOYSA-N75.9Ex 75.92(BP est) -67.22(MP est) ----(BP exp) ----(MP exp) CC1(P)CC1 -67.2PredN
C=C(C)CP239188.0898C4H9P(2-methylallyl)phosphaneN145C=C(C)CPInChI=1S/C4H9P/c1-4(2)3-5/h1,3,5H2,2H3InChIKey=FEOYEYLITBMPCC-UHFFFAOYSA-N76.2Ex 76.17(BP est) -95.93(MP est) ----(BP exp) ----(MP exp) C=C(C)CP -95.9PredN
PCC1CC1239288.0898C4H9P(cyclopropylmethyl)phosphaneN145PCC1CC1InChI=1S/C4H9P/c5-3-4-1-2-4/h4H,1-3,5H2InChIKey=FWJIRQKTBXOQGX-UHFFFAOYSA-N88.9Ex 88.94(BP est) -75.37(MP est) ----(BP exp) ----(MP exp) PCC1CC1 -75.4PredN
CCP1CC1239388.0898C4H9P1-ethylphosphiraneN145CCP1CC1InChI=1S/C4H9P/c1-2-5-3-4-5/h2-4H2,1H3InChIKey=KHBMOGCHGKJCJW-UHFFFAOYSA-N73.6Ex 73.59(BP est) -84.84(MP est) ----(BP exp) ----(MP exp) CCP1CC1 -84.8PredN
CP1CCC1239488.0898C4H9P1-methylphosphetaneN145CP1CCC1InChI=1S/C4H9P/c1-5-3-2-4-5/h2-4H2,1H3InChIKey=LECUUHMLSYIDOX-UHFFFAOYSA-N75.9Ex 75.88(BP est) -85.93(MP est) ----(BP exp) ----(MP exp) CP1CCC1 -85.9PredN
CCC1CP1239588.0898C4H9P2-ethylphosphiraneN145CCC1CP1InChI=1S/C4H9P/c1-2-4-3-5-4/h4-5H,2-3H2,1H3InChIKey=XZEBVKDAVOZAHU-UHFFFAOYSA-N65.3Ex 65.30(BP est) -88.70(MP est) ----(BP exp) ----(MP exp) CCC1CP1 -88.7PredN
CPCC=C239688.0898C4H9Pallyl(methyl)phosphaneN145CPCC=CInChI=1S/C4H9P/c1-3-4-5-2/h3,5H,1,4H2,2H3InChIKey=CAPVDZRWHHENCL-UHFFFAOYSA-N61.4Ex 61.41(BP est) -101.44(MP est) ----(BP exp) ----(MP exp) CPCC=C -101.4PredN
C(=C/CP)\C239788.0898C4H9Pbut-2-en-1-ylphosphaneN145C(=C/CP)\CInChI=1S/C4H9P/c1-2-3-4-5/h2-3H,4-5H2,1H3InChIKey=QDWBHRYHSODJEG-UHFFFAOYSA-N92.3Ex 92.30(BP est) -85.90(MP est) ----(BP exp) ----(MP exp) C(=C/CP)\C -85.9PredN
C=CCCP239888.0898C4H9Pbut-3-en-1-ylphosphaneN145C=CCCPInChI=1S/C4H9P/c1-2-3-4-5/h2H,1,3-5H2InChIKey=LEXUGYVAEXLJBH-UHFFFAOYSA-N82.9Ex 82.93(BP est) -86.97(MP est) ----(BP exp) ----(MP exp) C=CCCP -87PredN
CC(P)C=C239988.0898C4H9Pbut-3-en-2-ylphosphaneN145CC(P)C=CInChI=1S/C4H9P/c1-3-4(2)5/h3-4H,1,5H2,2H3InChIKey=FOHQNSIGSFSYDB-UHFFFAOYSA-N67.9Ex 67.90(BP est) -98.86(MP est) ----(BP exp) ----(MP exp) CC(P)C=C -98.9PredN
PC1CCC1240088.0898C4H9PcyclobutylphosphaneN145PC1CCC1InChI=1S/C4H9P/c5-4-2-1-3-4/h4H,1-3,5H2InChIKey=BQWISXYMCKRFKS-UHFFFAOYSA-N91.2Ex 91.18(BP est) -76.48(MP est) ----(BP exp) ----(MP exp) PC1CCC1 -76.5PredN
CPC1CC1240188.0898C4H9Pcyclopropyl(methyl)phosphaneN145CPC1CC1InChI=1S/C4H9P/c1-5-4-2-3-4/h4-5H,2-3H2,1H3InChIKey=ZTDHMWJQUHFIGL-UHFFFAOYSA-N67.6Ex 67.61(BP est) -89.78(MP est) ----(BP exp) ----(MP exp) CPC1CC1 -89.8PredN
CP(C)C=C240288.0898C4H9Pdimethyl(vinyl)phosphaneN145CP(C)C=CInChI=1S/C4H9P/c1-4-5(2)3/h4H,1H2,2-3H3InChIKey=DSSXYAGZNBDVGP-UHFFFAOYSA-N69.0Ex 62.43(BP est) -101.83(MP est) ----(BP exp) ----(MP exp) CP(C)C=C -101.8PredN
CCPC=C240388.0898C4H9Pethyl(vinyl)phosphaneN145CCPC=CInChI=1S/C4H9P/c1-3-5-4-2/h3,5H,1,4H2,2H3InChIKey=AIHSIRBHMCWUDZ-UHFFFAOYSA-N61.4Ex 61.41(BP est) -101.44(MP est) ----(BP exp) ----(MP exp) CCPC=C -101.4PredN
C1CCCP1240488.0898C4H9PphospholaneN145C1CCCP1InChI=1S/C4H9P/c1-2-4-5-3-1/h5H,1-4H2InChIKey=GWLJTAJEHRYMCA-UHFFFAOYSA-N77.2Ex 77.16(BP est) -86.63(MP est) ----(BP exp) ----(MP exp) C1CCCP1 -86.6PredN
CC1OC1CO240588.106C4H8O2(3-methyloxiran-2-yl)methanolN146CC1OC1COInChI=1S/C4H8O2/c1-3-4(2-5)6-3/h3-5H,2H2,1H3InChIKey=QQHZNUPEBVRUFO-UHFFFAOYSA-N140.3Ex 140.34(BP est) -34.47(MP est) ----(BP exp) ----(MP exp) CC1OC1CO -34.5PredN
OCOCC=C240688.106C4H8O2(allyloxy)methanolN146OCOCC=CInChI=1S/C4H8O2/c1-2-3-6-4-5/h2,5H,1,3-4H2InChIKey=ILKVDTFYHCTVMA-UHFFFAOYSA-N136.1Ex 136.14(BP est) -45.60(MP est) ----(BP exp) ----(MP exp) OCOCC=C -45.6PredN
OCC(O)(C1)(C1)240788.106C4H8O21-(hydroxymethyl)cyclopropan-1-olN146OCC(O)(C1)(C1)InChI=1S/C4H8O2/c5-3-4(6)1-2-4/h5-6H,1-3H2InChIKey=NAQUXQVIOQVIKV-UHFFFAOYSA-N171.9Ex 171.88(BP est) 5.93(MP est) ----(BP exp) ----(MP exp) OCC(O)(C1)(C1) 5.9PredN
OC(C)C1OC1240888.106C4H8O21-(oxiran-2-yl)ethan-1-olN146OC(C)C1OC1InChI=1S/C4H8O2/c1-3(5)4-2-6-4/h3-5H,2H2,1H3InChIKey=LEJLUUHSOFWJSW-UHFFFAOYSA-N125.9Ex 125.87(BP est) -44.08(MP est) ----(BP exp) ----(MP exp) OC(C)C1OC1 -44.1PredN
O1COCCC1240988.106C4H8O21,3-dioxaneN146O1COCCC1InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2InChIKey=VDFVNEFVBPFDSB-UHFFFAOYSA-N105.1Ex 102.77(BP est) -63.61(MP est) 106.10(BP exp) -45.00(MP exp) O1COCCC1 -45ExptN
O1CCOCC1241088.106C4H8O21,4-dioxaneN146O1CCOCC1InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2InChIKey=RYHBNJHYFVUHQT-UHFFFAOYSA-N101.1Ex 102.77(BP est) -63.61(MP est) 101.50(BP exp) 11.80(MP exp) O1CCOCC1 11.8ExptY(Liebich and Woll 1977)
OCC(CC)=O241188.106C4H8O21-hydroxybutan-2-oneN146OCC(CC)=OInChI=1S/C4H8O2/c1-2-4(6)3-5/h5H,2-3H2,1H3InChIKey=GFAZHVHNLUBROE-UHFFFAOYSA-N160.0Ex 158.08(BP est) -24.46(MP est) 160.00(BP exp) ----(MP exp) OCC(CC)=O -24.5PredY(Wishart et al. 2013)
OC1(OC)CC1241288.106C4H8O21-methoxycyclopropan-1-olN146OC1(OC)CC1InChI=1S/C4H8O2/c1-6-4(5)2-3-4/h5H,2-3H2,1H3InChIKey=HMVSIAPVFACVKH-UHFFFAOYSA-N111.3Ex 111.34(BP est) -31.04(MP est) ----(BP exp) ----(MP exp) OC1(OC)CC1 -31PredN
OC(OC)C=C241388.106C4H8O21-methoxyprop-2-en-1-olN146OC(OC)C=CInChI=1S/C4H8O2/c1-3-4(5)6-2/h3-5H,1H2,2H3InChIKey=DIWQCPZQEPEQGB-UHFFFAOYSA-N114.8Ex 114.80(BP est) -59.33(MP est) ----(BP exp) ----(MP exp) OC(OC)C=C -59.3PredN
CC(COC)=O241488.106C4H8O21-methoxypropan-2-oneN146CC(COC)=OInChI=1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3InChIKey=CUZLJOLBIRPEFB-UHFFFAOYSA-N115.5Ex 95.97(BP est) -61.89(MP est) 116.00(BP exp) ----(MP exp) CC(COC)=O -61.9PredN
COCC1OC1241588.106C4H8O22-(methoxymethyl)oxiraneN146COCC1OC1InChI=1S/C4H8O2/c1-5-2-4-3-6-4/h4H,2-3H2,1H3InChIKey=LKMJVFRMDSNFRT-UHFFFAOYSA-N113.0Ex 83.44(BP est) -68.26(MP est) 113.00(BP exp) ----(MP exp) COCC1OC1 -68.3PredN
OCCOC=C241688.106C4H8O22-(vinyloxy)ethan-1-olN146OCCOC=CInChI=1S/C4H8O2/c1-2-6-4-3-5/h2,5H,1,3-4H2InChIKey=VUIWJRYTWUGOOF-UHFFFAOYSA-N140.0Ex 136.14(BP est) -45.60(MP est) 141.60(BP exp) ----(MP exp) OCCOC=C -45.6PredN
CCOCC=O241788.106C4H8O22-ethoxyacetaldehydeN146CCOCC=OInChI=1S/C4H8O2/c1-2-6-4-3-5/h3H,2,4H2,1H3InChIKey=IAHZBRPNDIVNNR-UHFFFAOYSA-N109.9Ex 109.88(BP est) -61.80(MP est) ----(BP exp) ----(MP exp) CCOCC=O -61.8PredN
OC(C)(C=O)C241888.106C4H8O22-hydroxy-2-methylpropanalN146OC(C)(C=O)CInChI=1S/C4H8O2/c1-4(2,6)3-5/h3,6H,1-2H3InChIKey=HNVAGBIANFAIIL-UHFFFAOYSA-N137.0Ex 131.18(BP est) -35.07(MP est) ----(BP exp) ----(MP exp) OC(C)(C=O)C -35.1PredN
CC1OCCO1241988.106C4H8O22-methyl-1,3-dioxolaneN146CC1OCCO1InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3InChIKey=HTWIZMNMTWYQRN-UHFFFAOYSA-N81.9Ex 93.58(BP est) -66.65(MP est) 81.50(BP exp) ----(MP exp) CC1OCCO1 -66.7PredY(Duque et al. 2001)
OCC(CO)=C242088.106C4H8O22-methylenepropane-1,3-diolN146OCC(CO)=CInChI=1S/C4H8O2/c1-4(2-5)3-6/h5-6H,1-3H2InChIKey=JFFYKITVXPZLQS-UHFFFAOYSA-N188.5Ex 188.52(BP est) -17.99(MP est) ----(BP exp) ----(MP exp) OCC(CO)=C -18PredN
O=CC(C)CO242188.106C4H8O23-hydroxy-2-methylpropanalN146O=CC(C)COInChI=1S/C4H8O2/c1-4(2-5)3-6/h2,4,6H,3H2,1H3InChIKey=JTMCAHGCWBGWRV-UHFFFAOYSA-N166.0Ex 157.62(BP est) -36.06(MP est) ----(BP exp) ----(MP exp) O=CC(C)CO -36.1PredN
CC(C(O)C)=O242288.106C4H8O23-hydroxybutan-2-oneN146CC(C(O)C)=OInChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3InChIKey=ROWKJAVDOGWPAT-UHFFFAOYSA-N146.0Ex 137.57(BP est) -37.95(MP est) 143.00(BP exp) 15.00(MP exp) CC(C(O)C)=O 15ExptY(Glogowski et al. 2006, Ciolfe et al. 2012, Irwin et al. 2012)
CC(CC=O)O242388.106C4H8O23-hydroxybutanalN146CC(CC=O)OInChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3InChIKey=HSJKGGMUJITCBW-UHFFFAOYSA-N170.0Ex 150.55(BP est) -38.13(MP est) ----(BP exp) ----(MP exp) CC(CC=O)O -38.1PredY(Barker et al. 1983, Diaz et al. 2002, Gu et al. 2013)
COC1COC1242488.106C4H8O23-methoxyoxetaneN146COC1COC1InChI=1S/C4H8O2/c1-5-4-2-6-3-4/h4H,2-3H2,1H3InChIKey=WCPLWTYNTSHPIU-UHFFFAOYSA-N85.7Ex 85.69(BP est) -69.36(MP est) ----(BP exp) ----(MP exp) COC1COC1 -69.4PredN
O=CCCOC242588.106C4H8O23-methoxypropanalN146O=CCCOCInChI=1S/C4H8O2/c1-6-4-2-3-5/h3H,2,4H2,1H3InChIKey=OXGJKCALURPRCN-UHFFFAOYSA-N109.9Ex 109.88(BP est) -61.80(MP est) ----(BP exp) ----(MP exp) O=CCCOC -61.8PredN
OC1(C)COC1242688.106C4H8O23-methyloxetan-3-olN146OC1(C)COC1InChI=1S/C4H8O2/c1-4(5)2-6-3-4/h5H,2-3H2,1H3InChIKey=DHDPUVPGALXWOL-UHFFFAOYSA-N118.9Ex 118.91(BP est) -28.42(MP est) ----(BP exp) ----(MP exp) OC1(C)COC1 -28.4PredN
OCCC(C)=O242788.106C4H8O24-hydroxybutan-2-oneN146OCCC(C)=OInChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3InChIKey=LVSQXDHWDCMMRJ-UHFFFAOYSA-N158.1Ex 158.08(BP est) -24.46(MP est) ----(BP exp) ----(MP exp) OCCC(C)=O -24.5PredY(The Good Scents Company)
O=CCCCO242888.106C4H8O24-hydroxybutanalN146O=CCCCOInChI=1S/C4H8O2/c5-3-1-2-4-6/h3,6H,1-2,4H2InChIKey=PIAOXUVIBAKVSP-UHFFFAOYSA-N159.0Ex 170.57(BP est) -24.78(MP est) ----(BP exp) ----(MP exp) O=CCCCO -24.8PredY(Schomburg et al. 2002)
CC1OCOC1242988.106C4H8O24-methyl-1,3-dioxolaneN146CC1OCOC1InChI=1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3InChIKey=SBUOHGKIOVRDKY-UHFFFAOYSA-N82.5Ex 93.58(BP est) -66.65(MP est) ----(BP exp) ----(MP exp) CC1OCOC1 -66.7PredN
OC/C=C/CO243088.106C4H8O2but-2-ene-1,4-diolN146OC/C=C/COInChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2InChIKey=ORTVZLZNOYNASJ-UHFFFAOYSA-N231.2Ex 201.71(BP est) -8.82(MP est) 235.00(BP exp) 4.00(MP exp) OC/C=C/CO 4ExptY(DNP 2017)
OCC(O)(C=C)243188.106C4H8O2but-3-ene-1,2-diolN146OCC(O)(C=C)InChI=1S/C4H8O2/c1-2-4(6)3-5/h2,4-6H,1,3H2InChIKey=ITMIAZBRRZANGB-UHFFFAOYSA-N196.5Ex 174.98(BP est) -22.47(MP est) 196.50(BP exp) ----(MP exp) OCC(O)(C=C) -22.5PredN
OC(=O)C(CC)243288.106C4H8O2butyric acidN146OC(=O)C(CC)InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)InChIKey=FERIUCNNQQJTOY-UHFFFAOYSA-N163.0Ex 166.84(BP est) 3.02(MP est) 163.70(BP exp) -5.70(MP exp) OC(=O)C(CC) -5.7ExptY(Ciolfe et al. 2012, Irwin et al. 2012, ExPaSy 2015)
OC(C1)C(O)(C1)243388.106C4H8O2cyclobutane-1,2-diolN146OC(C1)C(O)(C1)InChI=1S/C4H8O2/c5-3-1-2-4(3)6/h3-6H,1-2H2InChIKey=MHPMXFUDCYMCOE-UHFFFAOYSA-N181.8Ex 181.79(BP est) -7.01(MP est) ----(BP exp) ----(MP exp) OC(C1)C(O)(C1) -7PredN
OCOC1CC1243488.106C4H8O2cyclopropoxymethanolN146OCOC1CC1InChI=1S/C4H8O2/c5-3-6-4-1-2-4/h4-5H,1-3H2InChIKey=OOYRBLVPWUUMOC-UHFFFAOYSA-N141.7Ex 141.65(BP est) -34.14(MP est) ----(BP exp) ----(MP exp) OCOC1CC1 -34.1PredN
CCOC(C)=O243588.106C4H8O2ethyl acetateN146CCOC(C)=OInChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3InChIKey=XEKOWRVHYACXOJ-UHFFFAOYSA-N76.6Ex 77.91(BP est) -82.08(MP est) 77.10(BP exp) -83.60(MP exp) CCOC(C)=O -83.6ExptY(Diaz et al. 2002, Hansen and Schieberle 2005, Irwin et al. 2012, DNP 2017)
OC(C(C)C)=O243688.106C4H8O2isobutyric acidN146OC(C(C)C)=OInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)InChIKey=KQNPFQTWMSNSAP-UHFFFAOYSA-N153.9Ex 153.79(BP est) -8.29(MP est) 154.40(BP exp) -46.00(MP exp) OC(C(C)C)=O -46ExptY(Braja et al. 1993, Jollivet et al. 1993, Irwin et al. 2012, DNP 2017)
O=COC(C)C243788.106C4H8O2isopropyl formateN146O=COC(C)CInChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3InChIKey=RMOUBSOVHSONPZ-UHFFFAOYSA-N68.2Ex 65.12(BP est) -85.13(MP est) 68.20(BP exp) -80.00(MP exp) O=COC(C)C -80ExptY(Wishart et al. 2013)
COC(CC)=O243888.106C4H8O2methyl propionateN146COC(CC)=OInChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3InChIKey=RJUFJBKOKNCXHH-UHFFFAOYSA-N79.1Ex 77.91(BP est) -82.08(MP est) 79.80(BP exp) -87.50(MP exp) COC(CC)=O -87.5ExptY(Leejeerajumnean et al. 2001, Leejeerajumnean et al. 2001)
OCC1OCC1243988.106C4H8O2oxetan-2-ylmethanolN146OCC1OCC1InChI=1S/C4H8O2/c5-3-4-1-2-6-4/h4-5H,1-3H2InChIKey=PQZJTHGEFIQMCO-UHFFFAOYSA-N148.8Ex 148.84(BP est) -31.63(MP est) ----(BP exp) ----(MP exp) OCC1OCC1 -31.6PredN
OCC1COC1244088.106C4H8O2oxetan-3-ylmethanolN146OCC1COC1InChI=1S/C4H8O2/c5-1-4-2-6-3-4/h4-5H,1-3H2InChIKey=SWYHWLFHDVMLHO-UHFFFAOYSA-N148.8Ex 148.84(BP est) -31.63(MP est) ----(BP exp) ----(MP exp) OCC1COC1 -31.6PredN
O=COCCC244188.106C4H8O2propyl formateN146O=COCCCInChI=1S/C4H8O2/c1-2-3-6-4-5/h4H,2-3H2,1H3InChIKey=KFNNIILCVOLYIR-UHFFFAOYSA-N81.0Ex 80.21(BP est) -73.22(MP est) 80.90(BP exp) -92.90(MP exp) O=COCCC -92.9ExptY(The Good Scents Company , Burdock and Fenaroli 2010)
OC1CCCO1244288.106C4H8O2tetrahydrofuran-2-olN146OC1CCCO1InChI=1S/C4H8O2/c5-4-2-1-3-6-4/h4-5H,1-3H2InChIKey=JNODDICFTDYODH-UHFFFAOYSA-N143.7Ex 143.69(BP est) -34.89(MP est) ----(BP exp) ----(MP exp) OC1CCCO1 -34.9PredN
OC1COCC1244388.106C4H8O2tetrahydrofuran-3-olN146OC1COCC1InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2InChIKey=XDPCNPCKDGQBAN-UHFFFAOYSA-N181.0Ex 143.69(BP est) -34.89(MP est) 181.00(BP exp) ----(MP exp) OC1COCC1 -34.9PredN
ONC(N)=CC244488.11C3H8N2O1-(hydroxyamino)prop-1-en-1-amineN146ONC(N)=CCInChI=1S/C3H8N2O/c1-2-3(4)5-6/h2,5-6H,4H2,1H3InChIKey=DJMDFLMNIBZMDQ-UHFFFAOYSA-N206.4Ex 206.42(BP est) 17.49(MP est) ----(BP exp) ----(MP exp) ONC(N)=CC 17.5PredN
NC(C(C)=O)N244588.11C3H8N2O1,1-diaminopropan-2-oneN146NC(C(C)=O)NInChI=1S/C3H8N2O/c1-2(6)3(4)5/h3H,4-5H2,1H3InChIKey=HTVWFMUWWPKVJJ-UHFFFAOYSA-N157.1Ex 157.11(BP est) 14.97(MP est) ----(BP exp) ----(MP exp) NC(C(C)=O)N 15PredN
NC(N(C)C)=O244688.11C3H8N2O1,1-dimethylureaN146NC(N(C)C)=OInChI=1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)InChIKey=YBBLOADPFWKNGS-UHFFFAOYSA-N196.0Ex 196.02(BP est) 23.58(MP est) ----(BP exp) 183.50(MP exp) NC(N(C)C)=O 183.5ExptY(de Lacy Costello et al. 2014)
CNC(NC)=O244788.11C3H8N2O1,3-dimethylureaN146CNC(NC)=OInChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)InChIKey=MGJKQDOBUOMPEZ-UHFFFAOYSA-N268.5Ex 191.60(BP est) 20.19(MP est) 269.00(BP exp) 108.00(MP exp) CNC(NC)=O 108ExptN
NC(NCC)=O244888.11C3H8N2O1-ethylureaN146NC(NCC)=OInChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)InChIKey=RYECOJGRJDOGPP-UHFFFAOYSA-N197.9Ex 197.87(BP est) 22.78(MP est) ----(BP exp) 92.50(MP exp) NC(NCC)=O 92.5ExptN
NC(CC)N=O244988.11C3H8N2O1-nitrosopropan-1-amineN146NC(CC)N=OInChI=1S/C3H8N2O/c1-2-3(4)5-6/h3H,2,4H2,1H3InChIKey=YXVGTXDOLCHDTO-UHFFFAOYSA-N81.9Ex 81.92(BP est) -17.89(MP est) ----(BP exp) ----(MP exp) NC(CC)N=O -17.9PredN
O=C(N)CNC245088.11C3H8N2O2-(methylamino)acetamideN146O=C(N)CNCInChI=1S/C3H8N2O/c1-5-2-3(4)6/h5H,2H2,1H3,(H2,4,6)InChIKey=CBBFWSMELCDMPZ-UHFFFAOYSA-N233.7Ex 233.70(BP est) 51.64(MP est) ----(BP exp) ----(MP exp) O=C(N)CNC 51.6PredN
CNC(CN)=O245188.11C3H8N2O2-amino-N-methylacetamideN146CNC(CN)=OInChI=1S/C3H8N2O/c1-5-3(6)2-4/h2,4H2,1H3,(H,5,6)InChIKey=UUYDPHCMCYSNAY-UHFFFAOYSA-N242.2Ex 242.22(BP est) 57.68(MP est) ----(BP exp) ----(MP exp) CNC(CN)=O 57.7PredN
NC(C(N)=O)C245288.11C3H8N2O2-aminopropanamideN146NC(C(N)=O)CInChI=1S/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)InChIKey=HQMLIDZJXVVKCW-UHFFFAOYSA-N237.0Ex 236.97(BP est) 56.97(MP est) ----(BP exp) ----(MP exp) NC(C(N)=O)C 57PredN
NC(N)=COC245388.11C3H8N2O2-methoxyethene-1,1-diamineN146NC(N)=COCInChI=1S/C3H8N2O/c1-6-2-3(4)5/h2H,4-5H2,1H3InChIKey=BEXSTKPHVHPXMK-UHFFFAOYSA-N151.1Ex 151.05(BP est) -2.67(MP est) ----(BP exp) ----(MP exp) NC(N)=COC -2.7PredN
NC(N)=CCO245488.11C3H8N2O3,3-diaminoprop-2-en-1-olN146NC(N)=CCOInChI=1S/C3H8N2O/c4-3(5)1-2-6/h1,6H,2,4-5H2InChIKey=FLZGOVYSIMMLPR-UHFFFAOYSA-N207.3Ex 207.34(BP est) 24.50(MP est) ----(BP exp) ----(MP exp) NC(N)=CCO 24.5PredN
NCCC(N)=O245588.11C3H8N2O3-aminopropanamideN146NCCC(N)=OInChI=1S/C3H8N2O/c4-2-1-3(5)6/h1-2,4H2,(H2,5,6)InChIKey=RSDOASZYYCOXIB-UHFFFAOYSA-N247.8Ex 247.75(BP est) 65.44(MP est) ----(BP exp) ----(MP exp) NCCC(N)=O 65.4PredY(Granvogl et al. 2004, Wishart et al. 2013)
NCCNC=O245688.11C3H8N2ON-(2-aminoethyl)formamideN146NCCNC=OInChI=1S/C3H8N2O/c4-1-2-5-3-6/h3H,1-2,4H2,(H,5,6)InChIKey=VAFIWTIWOOZYCZ-UHFFFAOYSA-N243.9Ex 243.87(BP est) 62.49(MP est) ----(BP exp) ----(MP exp) NCCNC=O 62.5PredN
O=CNN(C)C245788.11C3H8N2ON',N'-dimethylformohydrazideN146O=CNN(C)CInChI=1S/C3H8N2O/c1-5(2)4-3-6/h3H,1-2H3,(H,4,6)InChIKey=ALTGURJQVWBILJ-UHFFFAOYSA-N212.7Ex 212.68(BP est) 36.14(MP est) ----(BP exp) ----(MP exp) O=CNN(C)C 36.1PredN
NNC1COC1245888.11C3H8N2Ooxetan-3-ylhydrazineN146NNC1COC1InChI=1S/C3H8N2O/c4-5-3-1-6-2-3/h3,5H,1-2,4H2InChIKey=QXQOUOWBVTUODX-UHFFFAOYSA-N143.9Ex 143.87(BP est) -1.17(MP est) ----(BP exp) ----(MP exp) NNC1COC1 -1.2PredN
NNC(CC)=O245988.11C3H8N2OpropionohydrazideN146NNC(CC)=OInChI=1S/C3H8N2O/c1-2-3(6)5-4/h2,4H2,1H3,(H,5,6)InChIKey=DXGIRFAFSFKYCF-UHFFFAOYSA-N242.2Ex 242.22(BP est) 57.68(MP est) ----(BP exp) ----(MP exp) NNC(CC)=O 57.7PredN
OC1CNNC1246088.11C3H8N2Opyrazolidin-4-olN146OC1CNNC1InChI=1S/C3H8N2O/c6-3-1-4-5-2-3/h3-6H,1-2H2InChIKey=RPHNCVUQQDZKLE-UHFFFAOYSA-N205.7Ex 205.72(BP est) 37.89(MP est) ----(BP exp) ----(MP exp) OC1CNNC1 37.9PredN
[N@H]=C(N)N(N)C246188.114C2H8N41-methylhydrazine-1-carboximidamideN146[N@H]=C(N)N(N)CInChI=1S/C2H8N4/c1-6(5)2(3)4/h5H2,1H3,(H3,3,4)InChIKey=FQWDTSZAFLNHAT-UHFFFAOYSA-N191.3Ex 191.31(BP est) 25.26(MP est) ----(BP exp) ----(MP exp) [N@H]=C(N)N(N)C 25.3PredN
CNC(=N)NN246288.114C2H8N4N-methylhydrazinecarboximidamideN146CNC(=N)NNInChI=1S/C2H8N4/c1-5-2(3)6-4/h4H2,1H3,(H3,3,5,6)InChIKey=QAUFIQWONOAGSU-UHFFFAOYSA-N193.7Ex 193.65(BP est) 23.68(MP est) ----(BP exp) ----(MP exp) CNC(=N)NN 23.7PredN
C1OC=CS1246388.124C3H4OS1,3-oxathioleN95C1OC=CS1InChI=1S/C3H4OS/c1-2-5-3-4-1/h1-2H,3H2InChIKey=OHOXMCCFSFSRMD-UHFFFAOYSA-N115.3Ex 115.25(BP est) -38.02(MP est) ----(BP exp) ----(MP exp) C1OC=CS1 -38PredN
C1\C=C/OS1246488.124C3H4OS3H-1,2-oxathioleN95C1\C=C/OS1InChI=1S/C3H4OS/c1-2-4-5-3-1/h1-2H,3H2InChIKey=RELAJOWOFXGXHI-UHFFFAOYSA-N115.3Ex 115.25(BP est) -38.02(MP est) ----(BP exp) ----(MP exp) C1\C=C/OS1 -38PredN
O=CCC=S246588.124C3H4OS3-thioxopropanalN95O=CCC=SInChI=1S/C3H4OS/c4-2-1-3-5/h2-3H,1H2InChIKey=FWSRAGKXTNZFDH-UHFFFAOYSA-N66.0Ex 66.04(BP est) -84.43(MP est) ----(BP exp) ----(MP exp) O=CCC=S -84.4PredN
O=S=CC=C246688.124C3H4OSallylidene-lambda4-sulfanoneN95O=S=CC=CInChI=1S/C3H4OS/c1-2-3-5-4/h2-3H,1H2InChIKey=BUJKIAZCTPEQSJ-UHFFFAOYSA-N154.9Ex 154.87(BP est) -30.38(MP est) ----(BP exp) ----(MP exp) O=S=CC=C -30.4PredN
C=CC(=O)S246788.124C3H4OSprop-2-enethioic S-acidN95C=CC(=O)SInChI=1S/C3H4OS/c1-2-3(4)5/h2H,1H2,(H,4,5)InChIKey=WRIQZMMFAMFZSM-UHFFFAOYSA-N127.8Ex 127.84(BP est) -51.99(MP est) ----(BP exp) ----(MP exp) C=CC(=O)S -52PredY(Schomburg et al. 2002)
O=C1SCC1246888.124C3H4OSthietan-2-oneN95O=C1SCC1InChI=1S/C3H4OS/c4-3-1-2-5-3/h1-2H2InChIKey=KYSLXZJXRBTXDF-UHFFFAOYSA-N145.6Ex 145.58(BP est) -6.96(MP est) ----(BP exp) ----(MP exp) O=C1SCC1 -7PredN
O=C1CSC1246988.124C3H4OSthietan-3-oneN95O=C1CSC1InChI=1S/C3H4OS/c4-3-1-5-2-3/h1-2H2InChIKey=DQOHDRDDPZNSQI-UHFFFAOYSA-N145.6Ex 145.58(BP est) -6.96(MP est) ----(BP exp) ----(MP exp) O=C1CSC1 -7PredN
C(C1)(C1)(C(F)C)247088.1254C5H9F(1-fluoroethyl)cyclopropaneN156C(C1)(C1)(C(F)C)InChI=1S/C5H9F/c1-4(6)5-2-3-5/h4-5H,2-3H2,1H3InChIKey=HDGGACUUOSAWJS-UHFFFAOYSA-N37.3Ex 37.26(BP est) -107.71(MP est) ----(BP exp) ----(MP exp) C(C1)(C1)(C(F)C) -107.7PredN
C(C1)(C1)(CCF)247188.1254C5H9F(2-fluoroethyl)cyclopropaneN156C(C1)(C1)(CCF)InChI=1S/C5H9F/c6-4-3-5-1-2-5/h5H,1-4H2InChIKey=DAGWSDFKLAQZJR-UHFFFAOYSA-N52.9Ex 52.94(BP est) -95.64(MP est) ----(BP exp) ----(MP exp) C(C1)(C1)(CCF) -95.6PredN
C(CF)(C1)(CC1)247288.1254C5H9F(fluoromethyl)cyclobutaneN156C(CF)(C1)(CC1)InChI=1S/C5H9F/c6-4-5-2-1-3-5/h5H,1-4H2InChIKey=DVWNEKRVAURHBQ-UHFFFAOYSA-N55.3Ex 55.29(BP est) -96.71(MP est) ----(BP exp) ----(MP exp) C(CF)(C1)(CC1) -96.7PredN
C(C)(CF)(C1)(C1)247388.1254C5H9F1-(fluoromethyl)-1-methylcyclopropaneN156C(C)(CF)(C1)(C1)InChI=1S/C5H9F/c1-5(4-6)2-3-5/h2-4H2,1H3InChIKey=RBRBGSGTTGYKKT-UHFFFAOYSA-N39.2Ex 39.23(BP est) -87.69(MP est) ----(BP exp) ----(MP exp) C(C)(CF)(C1)(C1) -87.7PredN
CC1CC1CF247488.1254C5H9F1-(fluoromethyl)-2-methylcyclopropaneN156CC1CC1CFInChI=1S/C5H9F/c1-4-2-5(4)3-6/h4-5H,2-3H2,1H3InChIKey=XIBXZMBFIUQURO-UHFFFAOYSA-N45.4Ex 45.44(BP est) -99.94(MP est) ----(BP exp) ----(MP exp) CC1CC1CF -99.9PredN
C(F)(C1)(C1)(CC)247588.1254C5H9F1-ethyl-1-fluorocyclopropaneN156C(F)(C1)(C1)(CC)InChI=1S/C5H9F/c1-2-5(6)3-4-5/h2-4H2,1H3InChIKey=IYPJIFIEFDIOEM-UHFFFAOYSA-N39.2Ex 39.23(BP est) -87.69(MP est) ----(BP exp) ----(MP exp) C(F)(C1)(C1)(CC) -87.7PredN
C(C1)(C1F)(CC)247688.1254C5H9F1-ethyl-2-fluorocyclopropaneN156C(C1)(C1F)(CC)InChI=1S/C5H9F/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=PDUJPCBHGQMGIR-UHFFFAOYSA-N45.4Ex 45.44(BP est) -99.94(MP est) ----(BP exp) ----(MP exp) C(C1)(C1F)(CC) -99.9PredN
CC1CC1(C)F247788.1254C5H9F1-fluoro-1,2-dimethylcyclopropaneN156CC1CC1(C)FInChI=1S/C5H9F/c1-4-3-5(4,2)6/h4H,3H2,1-2H3InChIKey=GZUVNBWHRBZUMN-UHFFFAOYSA-N31.6Ex 31.60(BP est) -92.04(MP est) ----(BP exp) ----(MP exp) CC1CC1(C)F -92PredN
C(F)(C)(C1)(CC1)247888.1254C5H9F1-fluoro-1-methylcyclobutaneN156C(F)(C)(C1)(CC1)InChI=1S/C5H9F/c1-5(6)3-2-4-5/h2-4H2,1H3InChIKey=QXNDYAQIYCLBJC-UHFFFAOYSA-N41.6Ex 41.63(BP est) -88.75(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C1)(CC1) -88.8PredN
FC1C(C)C1C247988.1254C5H9F1-fluoro-2,3-dimethylcyclopropaneN156FC1C(C)C1CInChI=1S/C5H9F/c1-3-4(2)5(3)6/h3-5H,1-2H3InChIKey=REYLNXBSMHOQSQ-UHFFFAOYSA-N37.9Ex 37.87(BP est) -104.28(MP est) ----(BP exp) ----(MP exp) FC1C(C)C1C -104.3PredN
C(F)=C(C)(CC)248088.1254C5H9F1-fluoro-2-methylbut-1-eneN156C(F)=C(C)(CC)InChI=1S/C5H9F/c1-3-5(2)4-6/h4H,3H2,1-2H3InChIKey=CVAGHOPBSLAOLN-UHFFFAOYSA-N44.0Ex 49.45(BP est) -115.14(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(CC) -115.1PredN
C(C)=C(C)(CF)248188.1254C5H9F1-fluoro-2-methylbut-2-eneN156C(C)=C(C)(CF)InChI=1S/C5H9F/c1-3-5(2)4-6/h3H,4H2,1-2H3InChIKey=ZBPPWQIUYYVBQU-UHFFFAOYSA-N44.0Ex 49.45(BP est) -115.14(MP est) ----(BP exp) ----(MP exp) C(C)=C(C)(CF) -115.1PredN
C(C)(C1)(C(F)C1)248288.1254C5H9F1-fluoro-2-methylcyclobutaneN156C(C)(C1)(C(F)C1)InChI=1S/C5H9F/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=ZDVTWWKORPXWMB-UHFFFAOYSA-N47.8Ex 47.82(BP est) -101.01(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C(F)C1) -101PredN
C(C)(C)(C=CF)248388.1254C5H9F1-fluoro-3-methylbut-1-eneN156C(C)(C)(C=CF)InChI=1S/C5H9F/c1-5(2)3-4-6/h3-5H,1-2H3InChIKey=XBYUYHSJGKUARD-UHFFFAOYSA-N43.6Ex 40.87(BP est) -118.17(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C=CF) -118.2PredN
C(CF)=C(C)(C)248488.1254C5H9F1-fluoro-3-methylbut-2-eneN156C(CF)=C(C)(C)InChI=1S/C5H9F/c1-5(2)3-4-6/h3H,4H2,1-2H3InChIKey=CWGSHJFRUVPYTQ-UHFFFAOYSA-N44.0Ex 49.45(BP est) -115.14(MP est) ----(BP exp) ----(MP exp) C(CF)=C(C)(C) -115.1PredN
C(C)(C1)(CC1F)248588.1254C5H9F1-fluoro-3-methylcyclobutaneN156C(C)(C1)(CC1F)InChI=1S/C5H9F/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3InChIKey=MVPSCFJABIGCOE-UHFFFAOYSA-N47.8Ex 47.82(BP est) -101.01(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(CC1F) -101PredN
C(C)(CC=CF)248688.1254C5H9F1-fluoropent-1-eneN156C(C)(CC=CF)InChI=1S/C5H9F/c1-2-3-4-5-6/h4-5H,2-3H2,1H3InChIKey=RXIBYUVWJMXQDK-UHFFFAOYSA-N44.1Ex 56.48(BP est) -106.11(MP est) ----(BP exp) ----(MP exp) C(C)(CC=CF) -106.1PredN
C(CF)=C(CC)248788.1254C5H9F1-fluoropent-2-eneN156C(CF)=C(CC)InChI=1S/C5H9F/c1-2-3-4-5-6/h3-4H,2,5H2,1H3InChIKey=NNEHUKSSIOGPFD-UHFFFAOYSA-N44.1Ex 56.48(BP est) -106.11(MP est) ----(BP exp) ----(MP exp) C(CF)=C(CC) -106.1PredN
C=C(CF)(CC)248888.1254C5H9F2-(fluoromethyl)but-1-eneN156C=C(CF)(CC)InChI=1S/C5H9F/c1-3-5(2)4-6/h2-4H2,1H3InChIKey=OGZYUTIWWCMENH-UHFFFAOYSA-N36.5Ex 39.49(BP est) -116.39(MP est) ----(BP exp) ----(MP exp) C=C(CF)(CC) -116.4PredN
C(C)(C)(C1)(C1F)248988.1254C5H9F2-fluoro-1,1-dimethylcyclopropaneN156C(C)(C)(C1)(C1F)InChI=1S/C5H9F/c1-5(2)3-4(5)6/h4H,3H2,1-2H3InChIKey=XXVGLXNVQQFQOB-UHFFFAOYSA-N31.6Ex 31.60(BP est) -92.04(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C1)(C1F) -92PredN
C(C)(C)(C(F)=C)249188.1254C5H9F2-fluoro-3-methylbut-1-eneN156C(C)(C)(C(F)=C)InChI=1S/C5H9F/c1-4(2)5(3)6/h4H,3H2,1-2H3InChIKey=NSPSHZZZNJMFNW-UHFFFAOYSA-N36.0Ex 23.53(BP est) -128.55(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C(F)=C) -128.6PredN
C(F)(C)=C(C)(C)249288.1254C5H9F2-fluoro-3-methylbut-2-eneN156C(F)(C)=C(C)(C)InChI=1S/C5H9F/c1-4(2)5(3)6/h1-3H3InChIKey=NOMDHIWJYVRCNL-UHFFFAOYSA-N43.8Ex 42.36(BP est) -124.19(MP est) ----(BP exp) ----(MP exp) C(F)(C)=C(C)(C) -124.2PredN
C(C)(CC(F)=C)249388.1254C5H9F2-fluoropent-1-eneN156C(C)(CC(F)=C)InChI=1S/C5H9F/c1-3-4-5(2)6/h2-4H2,1H3InChIKey=GLJQTKPYRMOZCQ-UHFFFAOYSA-N36.5Ex 39.49(BP est) -116.39(MP est) ----(BP exp) ----(MP exp) C(C)(CC(F)=C) -116.4PredN
C(F)(C)=C(CC)249488.1254C5H9F2-fluoropent-2-eneN156C(F)(C)=C(CC)InChI=1S/C5H9F/c1-3-4-5(2)6/h4H,3H2,1-2H3InChIKey=IGCRFRIDPCUOGM-UHFFFAOYSA-N44.0Ex 49.45(BP est) -115.14(MP est) ----(BP exp) ----(MP exp) C(F)(C)=C(CC) -115.1PredN
C=C(C)(C(F)C)249588.1254C5H9F3-fluoro-2-methylbut-1-eneN156C=C(C)(C(F)C)InChI=1S/C5H9F/c1-4(2)5(3)6/h5H,1H2,2-3H3InChIKey=PDLUPZMLPPSKKB-UHFFFAOYSA-N36.0Ex 23.53(BP est) -128.55(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(F)C) -128.6PredN
C(F)(C)(C)(C=C)249688.1254C5H9F3-fluoro-3-methylbut-1-eneN156C(F)(C)(C)(C=C)InChI=1S/C5H9F/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=VEFUEZBNYXOTDQ-UHFFFAOYSA-N33.4Ex 20.22(BP est) -113.83(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(C=C) -113.8PredN
C(C)(C(F)C=C)249788.1254C5H9F3-fluoropent-1-eneN156C(C)(C(F)C=C)InChI=1S/C5H9F/c1-3-5(6)4-2/h3,5H,1,4H2,2H3InChIKey=OZSQOSMBDJJIIJ-UHFFFAOYSA-N36.2Ex 30.80(BP est) -119.45(MP est) ----(BP exp) ----(MP exp) C(C)(C(F)C=C) -119.5PredN
C(C)=C(F)(CC)249888.1254C5H9F3-fluoropent-2-eneN156C(C)=C(F)(CC)InChI=1S/C5H9F/c1-3-5(6)4-2/h3H,4H2,1-2H3InChIKey=KOUNOBXGDXRSLR-UHFFFAOYSA-N44.0Ex 49.45(BP est) -115.14(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(CC) -115.1PredN
C=C(C)(CCF)249988.1254C5H9F4-fluoro-2-methylbut-1-eneN156C=C(C)(CCF)InChI=1S/C5H9F/c1-5(2)3-4-6/h1,3-4H2,2H3InChIKey=ZNOJMLZHXBZGPS-UHFFFAOYSA-N36.5Ex 39.49(BP est) -116.39(MP est) ----(BP exp) ----(MP exp) C=C(C)(CCF) -116.4PredN
C(C)(CF)(C=C)250088.1254C5H9F4-fluoro-3-methylbut-1-eneN156C(C)(CF)(C=C)InChI=1S/C5H9F/c1-3-5(2)4-6/h3,5H,1,4H2,2H3InChIKey=JMYDKBCTDNYJCG-UHFFFAOYSA-N36.2Ex 30.80(BP est) -119.45(MP est) ----(BP exp) ----(MP exp) C(C)(CF)(C=C) -119.5PredN
C(F)(C)(CC=C)250188.1254C5H9F4-fluoropent-1-eneN156C(F)(C)(CC=C)InChI=1S/C5H9F/c1-3-4-5(2)6/h3,5H,1,4H2,2H3InChIKey=CRUUZSWMWWYYEP-UHFFFAOYSA-N36.2Ex 30.80(BP est) -119.45(MP est) ----(BP exp) ----(MP exp) C(F)(C)(CC=C) -119.5PredN
C(C)=C(C(F)C)250288.1254C5H9F4-fluoropent-2-eneN156C(C)=C(C(F)C)InChI=1S/C5H9F/c1-3-4-5(2)6/h3-5H,1-2H3InChIKey=LZUVXWHJKUVDMO-UHFFFAOYSA-N43.6Ex 40.87(BP est) -118.17(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(F)C) -118.2PredN
C(CF)(CC=C)250388.1254C5H9F5-fluoropent-1-eneN156C(CF)(CC=C)InChI=1S/C5H9F/c1-2-3-4-5-6/h2H,1,3-5H2InChIKey=VIPRHKFYPRGVOD-UHFFFAOYSA-N62.0Ex 46.61(BP est) -107.33(MP est) ----(BP exp) ----(MP exp) C(CF)(CC=C) -107.3PredN
C(C)=C(CCF)250488.1254C5H9F5-fluoropent-2-eneN156C(C)=C(CCF)InChI=1S/C5H9F/c1-2-3-4-5-6/h2-3H,4-5H2,1H3InChIKey=XWJRCNQFQUBEAV-UHFFFAOYSA-N44.1Ex 56.48(BP est) -106.11(MP est) ----(BP exp) ----(MP exp) C(C)=C(CCF) -106.1PredN
C(CC1)(CC1F)250588.1254C5H9FfluorocyclopentaneN156C(CC1)(CC1F)InChI=1S/C5H9F/c6-5-3-1-2-4-5/h5H,1-4H2InChIKey=YHYNFMGKZFOMAG-UHFFFAOYSA-N57.6Ex 57.64(BP est) -97.78(MP est) ----(BP exp) ----(MP exp) C(CC1)(CC1F) -97.8PredN
C(=C=S)=S250688.142C2S2ethene-1,2-dithioneN44C(=C=S)=SInChI=1S/C2S2/c3-1-2-4InChIKey=JFSYYGOHKMDXOA-UHFFFAOYSA-N-32.2Ex -32.21(BP est) -130.43(MP est) ----(BP exp) ----(MP exp) C(=C=S)=S -130.4PredN
CCOCCC250788.15C5H12O1-ethoxypropaneN186CCOCCCInChI=1S/C5H12O/c1-3-5-6-4-2/h3-5H2,1-2H3InChIKey=NVJUHMXYKCUMQA-UHFFFAOYSA-N62.9Ex 72.51(BP est) -88.07(MP est) 63.20(BP exp) -127.50(MP exp) CCOCCC -127.5ExptN
COCC(C)C250888.15C5H12O1-methoxy-2-methylpropaneN186COCC(C)CInChI=1S/C5H12O/c1-5(2)4-6-3/h5H,4H2,1-3H3InChIKey=ZYVYEJXMYBUCMN-UHFFFAOYSA-N68.4Ex 57.25(BP est) -100.03(MP est) 58.60(BP exp) ----(MP exp) COCC(C)C -100PredY(Fiedler et al. 2001)
COCCCC250988.15C5H12O1-methoxybutaneN186COCCCCInChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3InChIKey=CXBDYQVECUFKRK-UHFFFAOYSA-N70.0Ex 72.51(BP est) -88.07(MP est) 70.10(BP exp) -115.50(MP exp) COCCCC -115.5ExptN
OCC(C)(C)C251088.15C5H12O2,2-dimethylpropan-1-olN186OCC(C)(C)CInChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3InChIKey=KPSSIOMAKSHJJG-UHFFFAOYSA-N113.3Ex 113.93(BP est) -55.47(MP est) 113.50(BP exp) 52.50(MP exp) OCC(C)(C)C 52.5ExptY(Fischer et al. 1999)
CCOC(C)C251188.15C5H12O2-ethoxypropaneN186CCOC(C)CInChI=1S/C5H12O/c1-4-6-5(2)3/h5H,4H2,1-3H3InChIKey=XSJVWZAETSBXKU-UHFFFAOYSA-N53.2Ex 57.25(BP est) -100.03(MP est) 54.10(BP exp) ----(MP exp) CCOC(C)C -100PredY (Yang et al. 2012, Abd El-Hady and Shaker 2013, de Lacy Costello et al. 2014, Ama et al. 2015)
COC(C)(C)C251288.15C5H12O2-methoxy-2-methylpropaneN186COC(C)(C)CInChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3InChIKey=BZLVMXJERCGZMT-UHFFFAOYSA-N54.8Ex 47.04(BP est) -94.30(MP est) 55.20(BP exp) -108.60(MP exp) COC(C)(C)C -108.6ExptY(de Lacy Costello et al. 2014)
COC(CC)C251388.15C5H12O2-methoxybutaneN186COC(CC)CInChI=1S/C5H12O/c1-4-5(2)6-3/h5H,4H2,1-3H3InChIKey=FVNIMHIOIXPIQT-UHFFFAOYSA-N59.0Ex 57.25(BP est) -100.03(MP est) 65.00(BP exp) -100.00(MP exp) COC(CC)C -100ExptY(El-Sayed 2014)
OCC(CC)C251488.15C5H12O2-methylbutan-1-olN186OCC(CC)CInChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3InChIKey=QPRQEDXDYOZYLA-UHFFFAOYSA-N128.9Ex 123.17(BP est) -61.49(MP est) 128.00(BP exp) ----(MP exp) OCC(CC)C -61.5PredY(Diaz et al. 2002, Hansen and Schieberle 2005, Irwin et al. 2012)
OC(C)(CC)C251588.15C5H12O2-methylbutan-2-olN186OC(C)(CC)CInChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3InChIKey=MSXVEPNJUHWQHW-UHFFFAOYSA-N102.8Ex 95.08(BP est) -60.98(MP est) 102.40(BP exp) -9.10(MP exp) OC(C)(CC)C -9.1ExptY(Wishart et al. 2013)
OCCC(C)C251688.15C5H12O3-methylbutan-1-olN186OCCC(C)CInChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N131.1Ex 123.17(BP est) -61.49(MP est) 131.10(BP exp) -117.20(MP exp) OCCC(C)C -117.2ExptY(Ron and Louisa 1993, Ciolfe et al. 2012, Irwin et al. 2012, DNP 2017)
OC(C(C)C)C251788.15C5H12O3-methylbutan-2-olN186OC(C(C)C)CInChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3InChIKey=MXLMTQWGSQIYOW-UHFFFAOYSA-N110.9Ex 101.35(BP est) -75.36(MP est) 112.00(BP exp) ----(MP exp) OC(C(C)C)C -75.4PredY(Mozga et al. 2009, Ouzouni et al. 2009)
OCCCCC251888.15C5H12Opentan-1-olN186OCCCCCInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3InChIKey=AMQJEAYHLZJPGS-UHFFFAOYSA-N137.4Ex 136.95(BP est) -49.96(MP est) 137.90(BP exp) -78.90(MP exp) OCCCCC -78.9ExptY(Cha and Cadwallader 1995, Cho et al. 2008, Irwin et al. 2012)
OC(CCC)C251988.15C5H12Opentan-2-olN186OC(CCC)CInChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3InChIKey=JYVLIDXNZAXMDK-UHFFFAOYSA-N118.1Ex 115.64(BP est) -63.68(MP est) 119.30(BP exp) -73.00(MP exp) OC(CCC)C -73ExptY(Jollivet et al. 1993, Cha and Cadwallader 1995)
OC(CC)CC252088.15C5H12Opentan-3-olN186OC(CC)CCInChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3InChIKey=AQIXEPGDORPWBJ-UHFFFAOYSA-N115.5Ex 115.64(BP est) -63.68(MP est) 116.20(BP exp) -69.00(MP exp) OC(CC)CC -69ExptY(Cha and Cadwallader 1995, DNP 2017)
CN(N(C)C)C252188.154C4H12N21,1,2,2-tetramethylhydrazineN186CN(N(C)C)CInChI=1S/C4H12N2/c1-5(2)6(3)4/h1-4H3InChIKey=DHBZRQXIRAEMRO-UHFFFAOYSA-N70.1Ex 70.12(BP est) -73.05(MP est) ----(BP exp) ----(MP exp) CN(N(C)C)C -73.1PredN
CCN(N)CC252288.154C4H12N21,1-diethylhydrazineN186CCN(N)CCInChI=1S/C4H12N2/c1-3-6(5)4-2/h3-5H2,1-2H3InChIKey=IFZHGQSUNAKKSN-UHFFFAOYSA-N98.8Ex 111.05(BP est) -35.70(MP est) 99.00(BP exp) ----(MP exp) CCN(N)CC -35.7PredY(de Lacy Costello et al. 2014)
CCNNCC252388.154C4H12N21,2-diethylhydrazineN186CCNNCCInChI=1S/C4H12N2/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3InChIKey=YCBOYOYVDOUXLH-UHFFFAOYSA-N107.0Ex 113.77(BP est) -40.11(MP est) 85.50(BP exp) ----(MP exp) CCNNCC -40.1PredN
CN(NC)CC252488.154C4H12N21-ethyl-1,2-dimethylhydrazineN186CN(NC)CCInChI=1S/C4H12N2/c1-4-6(3)5-2/h5H,4H2,1-3H3InChIKey=WYPLHOKZQLARTP-UHFFFAOYSA-N92.3Ex 92.31(BP est) -56.48(MP est) ----(BP exp) ----(MP exp) CN(NC)CC -56.5PredN
CN(N)C(C)C252588.154C4H12N21-isopropyl-1-methylhydrazineN186CN(N)C(C)CInChI=1S/C4H12N2/c1-4(2)6(3)5/h4H,5H2,1-3H3InChIKey=XYQCAFWEBBSSKS-UHFFFAOYSA-N101.5Ex 96.66(BP est) -47.41(MP est) ----(BP exp) ----(MP exp) CN(N)C(C)C -47.4PredN
CNNC(C)C252688.154C4H12N21-isopropyl-2-methylhydrazineN186CNNC(C)CInChI=1S/C4H12N2/c1-4(2)6-5-3/h4-6H,1-3H3InChIKey=ANLRYZKIYUPHRY-UHFFFAOYSA-N99.4Ex 99.44(BP est) -51.80(MP est) ----(BP exp) ----(MP exp) CNNC(C)C -51.8PredN
CN(N)CCC252788.154C4H12N21-methyl-1-propylhydrazineN186CN(N)CCCInChI=1S/C4H12N2/c1-3-4-6(2)5/h3-5H2,1-2H3InChIKey=JOFQXPUKJJQCPW-UHFFFAOYSA-N103.5Ex 111.05(BP est) -35.70(MP est) ----(BP exp) ----(MP exp) CN(N)CCC -35.7PredN
CNNCCC252888.154C4H12N21-methyl-2-propylhydrazineN186CNNCCCInChI=1S/C4H12N2/c1-3-4-6-5-2/h5-6H,3-4H2,1-2H3InChIKey=BFIMWLBHXWBHBQ-UHFFFAOYSA-N113.8Ex 113.77(BP est) -40.11(MP est) ----(BP exp) ----(MP exp) CNNCCC -40.1PredN
CN(NCC)C252988.154C4H12N22-ethyl-1,1-dimethylhydrazineN186CN(NCC)CInChI=1S/C4H12N2/c1-4-5-6(2)3/h5H,4H2,1-3H3InChIKey=TWWCBLSUGOSDIY-UHFFFAOYSA-N74.5Ex 92.31(BP est) -56.48(MP est) ----(BP exp) ----(MP exp) CN(NCC)C -56.5PredN
CC(N)(C)CN253088.154C4H12N22-methylpropane-1,2-diamineN186CC(N)(C)CNInChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3InChIKey=OPCJOXGBLDJWRM-UHFFFAOYSA-N123.0Ex 126.90(BP est) -4.47(MP est) ----(BP exp) ----(MP exp) CC(N)(C)CN -4.5PredN
NCC(C)CN253188.154C4H12N22-methylpropane-1,3-diamineN186NCC(C)CNInChI=1S/C4H12N2/c1-4(2-5)3-6/h4H,2-3,5-6H2,1H3InChIKey=BDXGMDGYOIWKIF-UHFFFAOYSA-N136.0Ex 135.95(BP est) -10.54(MP est) ----(BP exp) ----(MP exp) NCC(C)CN -10.5PredN
NC(CC)CN253288.154C4H12N2butane-1,2-diamineN186NC(CC)CNInChI=1S/C4H12N2/c1-2-4(6)3-5/h4H,2-3,5-6H2,1H3InChIKey=ULEAQRIQMIQDPJ-UHFFFAOYSA-N140.5Ex 135.95(BP est) -10.54(MP est) ----(BP exp) ----(MP exp) NC(CC)CN -10.5PredN
CC(N)CCN253388.154C4H12N2butane-1,3-diamineN186CC(N)CCNInChI=1S/C4H12N2/c1-4(6)2-3-5/h4H,2-3,5-6H2,1H3InChIKey=RGTXVXDNHPWPHH-UHFFFAOYSA-N142.7Ex 135.95(BP est) -10.54(MP est) 138.00(BP exp) ----(MP exp) CC(N)CCN -10.5PredY(Ulrich 2006, de Lacy Costello et al. 2014)
NCCCCN253488.154C4H12N2butane-1,4-diamineN186NCCCCNInChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2InChIKey=KIDHWZJUCRJVML-UHFFFAOYSA-N158.4Ex 149.42(BP est) 0.89(MP est) 158.50(BP exp) 27.50(MP exp) NCCCCN 27.5ExptY(Fox and Wallace. 1997, Irwin et al. 2012, DNP 2017)
C[C@@H](N)[C@H](N)C253588.154C4H12N2butane-2,3-diamineN186C[C@@H](N)[C@H](N)CInChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3InChIKey=GHWVXCQZPNWFRO-UHFFFAOYSA-N122.9Ex 122.14(BP est) -22.07(MP est) ----(BP exp) ----(MP exp) C[C@@H](N)[C@H](N)C -22.1PredN
NNCCCC253688.154C4H12N2butylhydrazineN186NNCCCCInChI=1S/C4H12N2/c1-2-3-4-6-5/h6H,2-5H2,1H3InChIKey=XKLVLDXNZDIDKQ-UHFFFAOYSA-N141.5Ex 131.88(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) NNCCCC -19.5PredN
NNCC(C)C253788.154C4H12N2isobutylhydrazineN186NNCC(C)CInChI=1S/C4H12N2/c1-4(2)3-6-5/h4,6H,3,5H2,1-2H3InChIKey=NGSOWKPBNFOQCR-UHFFFAOYSA-N118.0Ex 117.97(BP est) -31.09(MP est) ----(BP exp) ----(MP exp) NNCC(C)C -31.1PredN
NCCN(C)C253888.154C4H12N2N1,N1-dimethylethane-1,2-diamineN186NCCN(C)CInChI=1S/C4H12N2/c1-6(2)4-3-5/h3-5H2,1-2H3InChIKey=DILRJUIACXKSQE-UHFFFAOYSA-N105.3Ex 111.05(BP est) -35.70(MP est) 104.00(BP exp) ----(MP exp) NCCN(C)C -35.7PredY(de Lacy Costello et al. 2014)
CNCCNC253988.154C4H12N2N1,N2-dimethylethane-1,2-diamineN186CNCCNCInChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3InChIKey=KVKFRMCSXWQSNT-UHFFFAOYSA-N119.5Ex 113.77(BP est) -40.11(MP est) 120.00(BP exp) ----(MP exp) CNCCNC -40.1PredN
NCCNCC254088.154C4H12N2N1-ethylethane-1,2-diamineN186NCCNCCInChI=1S/C4H12N2/c1-2-6-4-3-5/h6H,2-5H2,1H3InChIKey=SCZVXVGZMZRGRU-UHFFFAOYSA-N129.0Ex 131.88(BP est) -19.53(MP est) 129.00(BP exp) ----(MP exp) NCCNCC -19.5PredN
NC(C)CNC254188.154C4H12N2N1-methylpropane-1,2-diamineN186NC(C)CNCInChI=1S/C4H12N2/c1-4(5)3-6-2/h4,6H,3,5H2,1-2H3InChIKey=WJVAPEMLIPHCJB-UHFFFAOYSA-N118.0Ex 117.97(BP est) -31.09(MP est) ----(BP exp) ----(MP exp) NC(C)CNC -31.1PredN
NCCCNC254288.154C4H12N2N1-methylpropane-1,3-diamineN186NCCCNCInChI=1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3InChIKey=QHJABUZHRJTCAR-UHFFFAOYSA-N139.5Ex 131.88(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) NCCCNC -19.5PredY(Bhardwaj et al. 2014)
NCC(C)NC254388.154C4H12N2N2-methylpropane-1,2-diamineN186NCC(C)NCInChI=1S/C4H12N2/c1-4(3-5)6-2/h4,6H,3,5H2,1-2H3InChIKey=GINJNNGWMNSBIG-UHFFFAOYSA-N118.0Ex 117.97(BP est) -31.09(MP est) ----(BP exp) ----(MP exp) NCC(C)NC -31.1PredN
NNC(CC)C254488.154C4H12N2sec-butylhydrazineN186NNC(CC)CInChI=1S/C4H12N2/c1-3-4(2)6-5/h4,6H,3,5H2,1-2H3InChIKey=SFSUYFSIKDDLOL-UHFFFAOYSA-N105.5Ex 117.97(BP est) -31.09(MP est) ----(BP exp) ----(MP exp) NNC(CC)C -31.1PredN
NNC(C)(C)C254588.154C4H12N2tert-butylhydrazineN186NNC(C)(C)CInChI=1S/C4H12N2/c1-4(2,3)6-5/h6H,5H2,1-3H3InChIKey=MUQNAPSBHXFMHT-UHFFFAOYSA-N117.0Ex 108.65(BP est) -25.10(MP est) ----(BP exp) ----(MP exp) NNC(C)(C)C -25.1PredN
SC1(CC1)C254688.168C4H8S1-methylcyclopropane-1-thiolN135SC1(CC1)CInChI=1S/C4H8S/c1-4(5)2-3-4/h5H,2-3H2,1H3InChIKey=SLQHOXCRMPGSKK-UHFFFAOYSA-N98.8Ex 98.78(BP est) -58.00(MP est) ----(BP exp) ----(MP exp) SC1(CC1)C -58PredN
CC1(C)CS1254788.168C4H8S2,2-dimethylthiiraneN135CC1(C)CS1InChI=1S/C4H8S/c1-4(2)3-5-4/h3H2,1-2H3InChIKey=HGJOFJDIHKHKAU-UHFFFAOYSA-N86.5Ex 81.48(BP est) -42.56(MP est) ----(BP exp) ----(MP exp) CC1(C)CS1 -42.6PredN
CC1C(C)S1254888.168C4H8S2,3-dimethylthiiraneN135CC1C(C)S1InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3InChIKey=ZMJBHCIEMIVIFZ-UHFFFAOYSA-N67.7Ex 87.34(BP est) -54.92(MP est) ----(BP exp) ----(MP exp) CC1C(C)S1 -54.9PredN
CCC1CS1254988.168C4H8S2-ethylthiiraneN135CCC1CS1InChI=1S/C4H8S/c1-2-4-3-5-4/h4H,2-3H2,1H3InChIKey=ZXKFFOMHVCMTEV-UHFFFAOYSA-N105.0Ex 94.40(BP est) -50.74(MP est) ----(BP exp) ----(MP exp) CCC1CS1 -50.7PredN
C/C(C)=C\S255088.168C4H8S2-methylprop-1-ene-1-thiolN135C/C(C)=C\SInChI=1S/C4H8S/c1-4(2)3-5/h3,5H,1-2H3InChIKey=FIEMNCUPUKWJBC-UHFFFAOYSA-N108.2Ex 108.16(BP est) -85.70(MP est) ----(BP exp) ----(MP exp) C/C(C)=C\S -85.7PredY(DNP 2017)
SCC(C)=C255188.168C4H8S2-methylprop-2-ene-1-thiolN135SCC(C)=CInChI=1S/C4H8S/c1-4(2)3-5/h5H,1,3H2,2H3InChIKey=UFJYVTQALAAQEQ-UHFFFAOYSA-N99.0Ex 99.01(BP est) -86.71(MP est) ----(BP exp) ----(MP exp) SCC(C)=C -86.7PredN
CC1SCC1255288.168C4H8S2-methylthietaneN135CC1SCC1InChI=1S/C4H8S/c1-4-2-3-5-4/h4H,2-3H2,1H3InChIKey=DUTRXPYVMIFJQZ-UHFFFAOYSA-N107.0Ex 96.62(BP est) -51.85(MP est) 107.00(BP exp) ----(MP exp) CC1SCC1 -51.9PredY(El-Sayed 2014)
CC1CSC1255388.168C4H8S3-methylthietaneN135CC1CSC1InChI=1S/C4H8S/c1-4-2-5-3-4/h4H,2-3H2,1H3InChIKey=AICMILUQCQAHLV-UHFFFAOYSA-N96.6Ex 96.62(BP est) -51.85(MP est) ----(BP exp) ----(MP exp) CC1CSC1 -51.9PredY(de Lacy Costello et al. 2014)
CSCC=C255488.168C4H8Sallyl(methyl)sulfaneN135CSCC=CInChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3InChIKey=NVLPQIPTCCLBEU-UHFFFAOYSA-N91.0Ex 91.10(BP est) -83.08(MP est) 92.00(BP exp) ----(MP exp) CSCC=C -83.1PredY(Irwin et al. 2012, DNP 2017)
SC/C=C/C255588.168C4H8Sbut-2-ene-1-thiolN135SC/C=C/CInChI=1S/C4H8S/c1-2-3-4-5/h2-3,5H,4H2,1H3InChIKey=PSKWBKFCLVNPMT-UHFFFAOYSA-N114.6Ex 114.60(BP est) -76.84(MP est) ----(BP exp) ----(MP exp) SC/C=C/C -76.8PredY(Kjaer 1977, Irwin et al. 2012)
S\C(=C/C)C255688.168C4H8Sbut-2-ene-2-thiolN135S\C(=C/C)CInChI=1S/C4H8S/c1-3-4(2)5/h3,5H,1-2H3InChIKey=LQBYMQRGPKLTII-UHFFFAOYSA-N108.2Ex 108.16(BP est) -85.70(MP est) ----(BP exp) ----(MP exp) S\C(=C/C)C -85.7PredN
SCCC=C255788.168C4H8Sbut-3-ene-1-thiolN135SCCC=CInChI=1S/C4H8S/c1-2-3-4-5/h2,5H,1,3-4H2InChIKey=MMALMXBEMBYJSC-UHFFFAOYSA-N105.6Ex 105.55(BP est) -77.83(MP est) ----(BP exp) ----(MP exp) SCCC=C -77.8PredYref
SC(C=C)C255888.168C4H8Sbut-3-ene-2-thiolN135SC(C=C)CInChI=1S/C4H8S/c1-3-4(2)5/h3-5H,1H2,2H3InChIKey=FRBFUAKXOIGPDP-UHFFFAOYSA-N91.0Ex 91.03(BP est) -89.57(MP est) ----(BP exp) ----(MP exp) SC(C=C)C -89.6PredN
S=C(C)CC255988.168C4H8Sbutane-2-thioneN135S=C(C)CCInChI=1S/C4H8S/c1-3-4(2)5/h3H2,1-2H3InChIKey=OMNLPAKGAQSUGE-UHFFFAOYSA-N122.0Ex 105.39(BP est) -55.86(MP est) ----(BP exp) ----(MP exp) S=C(C)CC -55.9PredN
SC1CCC1256088.168C4H8ScyclobutanethiolN135SC1CCC1InChI=1S/C4H8S/c5-4-2-1-3-4/h4-5H,1-3H2InChIKey=WEMTXCOQGNENQZ-UHFFFAOYSA-N102.0Ex 113.51(BP est) -67.41(MP est) ----(BP exp) ----(MP exp) SC1CCC1 -67.4PredN
CSC1CC1256188.168C4H8Scyclopropyl(methyl)sulfaneN135CSC1CC1InChI=1S/C4H8S/c1-5-4-2-3-4/h4H,2-3H2,1H3InChIKey=MPUGYVQTBLFANQ-UHFFFAOYSA-N97.0Ex 97.03(BP est) -71.49(MP est) ----(BP exp) ----(MP exp) CSC1CC1 -71.5PredN
SCC1CC1256288.168C4H8ScyclopropylmethanethiolN135SCC1CC1InChI=1S/C4H8S/c5-3-4-1-2-4/h4-5H,1-3H2InChIKey=JDMINEJTNOBFFD-UHFFFAOYSA-N111.4Ex 111.35(BP est) -66.28(MP est) ----(BP exp) ----(MP exp) SCC1CC1 -66.3PredN
CCSC=C256388.168C4H8Sethyl(vinyl)sulfaneN135CCSC=CInChI=1S/C4H8S/c1-3-5-4-2/h3H,1,4H2,2H3InChIKey=AFGACPRTZOCNIW-UHFFFAOYSA-N91.8Ex 91.10(BP est) -83.08(MP est) ----(BP exp) ----(MP exp) CCSC=C -83.1PredN
CSC=CC256488.168C4H8Smethyl(prop-1-en-1-yl)sulfaneN135CSC=CCInChI=1S/C4H8S/c1-3-4-5-2/h3-4H,1-2H3InChIKey=YJOGCMRDEUBRJD-UHFFFAOYSA-N96.0Ex 100.35(BP est) -82.03(MP est) ----(BP exp) ----(MP exp) CSC=CC -82PredY(The Good Scents Company , Shivashankar 2012, Wishart et al. 2013, de Lacy Costello et al. 2014)
CSC(C)=C256588.168C4H8Smethyl(prop-1-en-2-yl)sulfaneN135CSC(C)=CInChI=1S/C4H8S/c1-4(2)5-3/h1H2,2-3H3InChIKey=ITKBWZPRAFZVNW-UHFFFAOYSA-N84.4Ex 84.42(BP est) -92.01(MP est) ----(BP exp) ----(MP exp) CSC(C)=C -92PredN
C(C1)SC(C1)256688.168C4H8StetrahydrothiopheneN135C(C1)SC(C1)InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2InChIKey=RAOIDOHSFRTOEL-UHFFFAOYSA-N120.2Ex 105.76(BP est) -48.82(MP est) 121.00(BP exp) -96.10(MP exp) C(C1)SC(C1) -96.1ExptY(Iranshahi 2012)
C[Si]1(O)CC1256788.181C3H8OSi1-methylsiliran-1-olN135C[Si]1(O)CC1InChI=1S/C3H8OSi/c1-5(4)2-3-5/h4H,2-3H2,1H3InChIKey=NEDUZHDZLDIVBY-UHFFFAOYSA-N102.0Ex 101.98(BP est) -14.17(MP est) ----(BP exp) ----(MP exp) C[Si]1(O)CC1 -14.2PredN
C[Si](C)(C)C256888.225C4H12SitetramethylsilaneN175C[Si](C)(C)CInChI=1S/C4H12Si/c1-5(2,3)4/h1-4H3InChIKey=CZDYPVPMEAXLPK-UHFFFAOYSA-N26.4Ex 18.96(BP est) -116.52(MP est) 26.60(BP exp) -99.00(MP exp) C[Si](C)(C)C -99ExptN
O=CC#CCl257088.49C3HClO3-chloropropiolaldehydeN65O=CC#CClInChI=1S/C3HClO/c4-2-1-3-5/h3HInChIKey=KSLQGRKDVSKAHA-UHFFFAOYSA-N114.2Ex 114.24(BP est) -9.26(MP est) ----(BP exp) ----(MP exp) O=CC#CCl -9.3PredN
ClC=C1CC1257188.534C4H5Cl(chloromethylene)cyclopropaneN105ClC=C1CC1InChI=1S/C4H5Cl/c5-3-4-1-2-4/h3H,1-2H2InChIKey=ANWBXURIIGHADI-UHFFFAOYSA-N73.9Ex 73.87(BP est) -73.19(MP est) ----(BP exp) ----(MP exp) ClC=C1CC1 -73.2PredN
ClCC1=CC1257288.534C4H5Cl1-(chloromethyl)cycloprop-1-eneN105ClCC1=CC1InChI=1S/C4H5Cl/c5-3-4-1-2-4/h1H,2-3H2InChIKey=DYEBZPJJEKUYFK-UHFFFAOYSA-N100.6Ex 100.58(BP est) -63.94(MP est) ----(BP exp) ----(MP exp) ClCC1=CC1 -63.9PredN
ClC(C1)=C1C257388.534C4H5Cl1-chloro-2-methylcycloprop-1-eneN105ClC(C1)=C1CInChI=1S/C4H5Cl/c1-3-2-4(3)5/h2H2,1H3InChIKey=BNSGXJQGWFLGQK-UHFFFAOYSA-N69.5Ex 69.50(BP est) -66.75(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1C -66.8PredN
C=C1CC1Cl257488.534C4H5Cl1-chloro-2-methylenecyclopropaneN105C=C1CC1ClInChI=1S/C4H5Cl/c1-3-2-4(3)5/h4H,1-2H2InChIKey=YCXMOBXHPCTQKC-UHFFFAOYSA-N72.9Ex 72.88(BP est) -73.94(MP est) ----(BP exp) ----(MP exp) C=C1CC1Cl -73.9PredN
ClC1=CC1C257588.534C4H5Cl1-chloro-3-methylcycloprop-1-eneN105ClC1=CC1CInChI=1S/C4H5Cl/c1-3-2-4(3)5/h2-3H,1H3InChIKey=HDLVIVWHLWACSU-UHFFFAOYSA-N64.4Ex 64.35(BP est) -76.63(MP est) ----(BP exp) ----(MP exp) ClC1=CC1C -76.6PredN
CCC#CCl257688.534C4H5Cl1-chlorobut-1-yneN105CCC#CClInChI=1S/C4H5Cl/c1-2-3-4-5/h2H2,1H3InChIKey=QMCVJHYLJSSYQF-UHFFFAOYSA-N77.1Ex 77.12(BP est) -35.46(MP est) ----(BP exp) ----(MP exp) CCC#CCl -35.5PredN
CC#CCCl257788.534C4H5Cl1-chlorobut-2-yneN105CC#CCClInChI=1S/C4H5Cl/c1-2-3-4-5/h4H2,1H3InChIKey=OKWUYBGGPXXFLS-UHFFFAOYSA-N104.5Ex 105.81(BP est) -27.09(MP est) ----(BP exp) ----(MP exp) CC#CCCl -27.1PredN
C=CC=CCl257888.534C4H5Cl1-chlorobuta-1,3-dieneN105C=CC=CClInChI=1S/C4H5Cl/c1-2-3-4-5/h2-4H,1H2InChIKey=PCPYTNCQOSFKGG-UHFFFAOYSA-N67.6Ex 64.80(BP est) -95.53(MP est) 68.00(BP exp) ----(MP exp) C=CC=CCl -95.5PredN
ClC1=CCC1257988.534C4H5Cl1-chlorocyclobut-1-eneN105ClC1=CCC1InChI=1S/C4H5Cl/c5-4-2-1-3-4/h2H,1,3H2InChIKey=KFDYVJZZXORXMP-UHFFFAOYSA-N74.0Ex 73.95(BP est) -73.47(MP est) ----(BP exp) ----(MP exp) ClC1=CCC1 -73.5PredN
C=CC(Cl)=C258088.534C4H5Cl2-chlorobuta-1,3-dieneN105C=CC(Cl)=CInChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2InChIKey=YACLQRRMGMJLJV-UHFFFAOYSA-N59.0Ex 48.01(BP est) -105.75(MP est) 59.40(BP exp) -130.00(MP exp) C=CC(Cl)=C -130ExptN
ClCC1C=C1258188.534C4H5Cl3-(chloromethyl)cycloprop-1-eneN105ClCC1C=C1InChI=1S/C4H5Cl/c5-3-4-1-2-4/h1-2,4H,3H2InChIKey=HFVJTSRKRFCTMR-UHFFFAOYSA-N95.7Ex 95.67(BP est) -73.75(MP est) ----(BP exp) ----(MP exp) ClCC1C=C1 -73.8PredN
CC1=CC1Cl258288.534C4H5Cl3-chloro-1-methylcycloprop-1-eneN105CC1=CC1ClInChI=1S/C4H5Cl/c1-3-2-4(3)5/h2,4H,1H3InChIKey=LRKORNJGKZPNOP-UHFFFAOYSA-N80.2Ex 80.21(BP est) -72.00(MP est) ----(BP exp) ----(MP exp) CC1=CC1Cl -72PredN
ClC1(C)C=C1258388.534C4H5Cl3-chloro-3-methylcycloprop-1-eneN105ClC1(C)C=C1InChI=1S/C4H5Cl/c1-4(5)2-3-4/h2-3H,1H3InChIKey=OQPAJRREURGRJR-UHFFFAOYSA-N55.4Ex 55.36(BP est) -73.57(MP est) ----(BP exp) ----(MP exp) ClC1(C)C=C1 -73.6PredN
CC(C#C)Cl258488.534C4H5Cl3-chlorobut-1-yneN105CC(C#C)ClInChI=1S/C4H5Cl/c1-3-4(2)5/h1,4H,2H3InChIKey=PZFBULOUMNPBFA-UHFFFAOYSA-N68.3Ex 68.54(BP est) -75.04(MP est) 68.50(BP exp) ----(MP exp) CC(C#C)Cl -75PredN
ClC1CC=C1258588.534C4H5Cl3-chlorocyclobut-1-eneN105ClC1CC=C1InChI=1S/C4H5Cl/c5-4-2-1-3-4/h1-2,4H,3H2InChIKey=NGDXTAVUVLANKC-UHFFFAOYSA-N84.6Ex 84.59(BP est) -78.75(MP est) ----(BP exp) ----(MP exp) ClC1CC=C1 -78.8PredN
ClCCC#C258688.534C4H5Cl4-chlorobut-1-yneN105ClCCC#CInChI=1S/C4H5Cl/c1-2-3-4-5/h1H,3-4H2InChIKey=SCALDUUTBUBDKM-UHFFFAOYSA-N86.0Ex 96.86(BP est) -59.27(MP est) ----(BP exp) ----(MP exp) ClCCC#C -59.3PredN
FB(N(C)C)C258788.9204C3H9BFN1-fluoro-N,N,1-trimethylboranamineN156FB(N(C)C)CInChI=1S/C3H9BFN/c1-4(5)6(2)3/h1-3H3InChIKey=ZRZJLCYSBZMWSC-UHFFFAOYSA-N20.1Ex 20.08(BP est) -114.92(MP est) ----(BP exp) ----(MP exp) FB(N(C)C)C -114.9PredN
C1C=NPO1258889.0338C2H4NOP2,5-dihydro-1,3,2-oxazaphospholeN95C1C=NPO1InChI=1S/C2H4NOP/c1-2-4-5-3-1/h1,5H,2H2InChIKey=MEGSSYDTGZGMGW-UHFFFAOYSA-N102.6Ex 102.58(BP est) -41.05(MP est) ----(BP exp) ----(MP exp) C1C=NPO1 -41.1PredN
O=C(O)C=NO258989.05C2H3NO32-(hydroxyimino)acetic acidN96O=C(O)C=NOInChI=1S/C2H3NO3/c4-2(5)1-3-6/h1,6H,(H,4,5)InChIKey=PBZUAIHRZUBBAJ-UHFFFAOYSA-N243.8Ex 243.77(BP est) 43.35(MP est) ----(BP exp) ----(MP exp) O=C(O)C=NO 43.4PredY(DNP 2017)
NC(C(O)=O)=O259089.05C2H3NO32-amino-2-oxoacetic acidN96NC(C(O)=O)=OInChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)InChIKey=SOWBFZRMHSNYGE-UHFFFAOYSA-N288.2Ex 288.23(BP est) 99.68(MP est) ----(BP exp) 210.00(MP exp) NC(C(O)=O)=O 210ExptN
C=CO[N+](=O)[O-]259289.05C2H3NO3vinyl nitrateN96C=CON(=O)=OInChI=1S/C2H3NO3/c1-2-6-3(4)5/h2H,1H2InChIKey=HSOOVEKLGOIEFF-UHFFFAOYSA-N85.4Ex 85.42(BP est) -77.52(MP est) ----(BP exp) ----(MP exp) C=CON(=O)=O -77.5PredN
O=C(N)NN=O259389.054CH3N3O21-nitrosoureaN96O=C(N)NN=OInChI=1S/CH3N3O2/c2-1(5)3-4-6/h(H3,2,3,5,6)InChIKey=OSTGTTZJOCZWJG-UHFFFAOYSA-N185.1Ex 185.06(BP est) 39.38(MP est) ----(BP exp) ----(MP exp) O=C(N)NN=O 39.4PredN
FC1N(O)C=C1259889.0694C3H4FNO2-fluoroazet-1(2H)-olN106FC1N(O)C=C1InChI=1S/C3H4FNO/c4-3-1-2-5(3)6/h1-3,6HInChIKey=SZGTUFQMEAIOTL-UHFFFAOYSA-N208.0Ex 208.00(BP est) 8.47(MP est) ----(BP exp) ----(MP exp) FC1N(O)C=C1 8.5PredN
FC1NOC=C1259989.0694C3H4FNO3-fluoro-2,3-dihydroisoxazoleN106FC1NOC=C1InChI=1S/C3H4FNO/c4-3-1-2-6-5-3/h1-3,5HInChIKey=ZSTGKPXHYBKDQL-UHFFFAOYSA-N107.3Ex 107.31(BP est) -28.37(MP est) ----(BP exp) ----(MP exp) FC1NOC=C1 -28.4PredN
FC1=CCON1260089.0694C3H4FNO3-fluoro-2,5-dihydroisoxazoleN106FC1=CCON1InChI=1S/C3H4FNO/c4-3-1-2-6-5-3/h1,5H,2H2InChIKey=KXAYKMUKUVEMDE-UHFFFAOYSA-N112.1Ex 112.13(BP est) -18.58(MP est) ----(BP exp) ----(MP exp) FC1=CCON1 -18.6PredN
FC1=CN(O)C1260189.0694C3H4FNO3-fluoroazet-1(2H)-olN106FC1=CN(O)C1InChI=1S/C3H4FNO/c4-3-1-5(6)2-3/h1,6H,2H2InChIKey=BMZPSBFTWMYIEJ-UHFFFAOYSA-N212.0Ex 211.97(BP est) 18.01(MP est) ----(BP exp) ----(MP exp) FC1=CN(O)C1 18PredN
FC1CNC1=O260289.0694C3H4FNO3-fluoroazetidin-2-oneN106FC1CNC1=OInChI=1S/C3H4FNO/c4-2-1-5-3(2)6/h2H,1H2,(H,5,6)InChIKey=AINOTODHGHVTEE-UHFFFAOYSA-N212.3Ex 212.31(BP est) 33.03(MP est) ----(BP exp) ----(MP exp) FC1CNC1=O 33PredN
FC1=CONC1260389.0694C3H4FNO4-fluoro-2,3-dihydroisoxazoleN106FC1=CONC1InChI=1S/C3H4FNO/c4-3-1-5-6-2-3/h2,5H,1H2InChIKey=GZVCGEFEJHOXPS-UHFFFAOYSA-N112.1Ex 112.13(BP est) -18.58(MP est) ----(BP exp) ----(MP exp) FC1=CONC1 -18.6PredN
FC1=CNOC1260489.0694C3H4FNO4-fluoro-2,5-dihydroisoxazoleN106FC1=CNOC1InChI=1S/C3H4FNO/c4-3-1-5-6-2-3/h1,5H,2H2InChIKey=XNKFQJAUVLIOAE-UHFFFAOYSA-N112.1Ex 112.13(BP est) -18.58(MP est) ----(BP exp) ----(MP exp) FC1=CNOC1 -18.6PredN
FC1=CCN1O260589.0694C3H4FNO4-fluoroazet-1(2H)-olN106FC1=CCN1OInChI=1S/C3H4FNO/c4-3-1-2-5(3)6/h1,6H,2H2InChIKey=GWYQKJGUGJROBB-UHFFFAOYSA-N212.0Ex 211.97(BP est) 18.01(MP est) ----(BP exp) ----(MP exp) FC1=CCN1O 18PredN
O=C1CC(F)N1260689.0694C3H4FNO4-fluoroazetidin-2-oneN106O=C1CC(F)N1InChI=1S/C3H4FNO/c4-2-1-3(6)5-2/h2H,1H2,(H,5,6)InChIKey=RFGZYLNEARMOGP-UHFFFAOYSA-N212.3Ex 212.31(BP est) 33.03(MP est) ----(BP exp) ----(MP exp) O=C1CC(F)N1 33PredN
FC1=CCNO1260789.0694C3H4FNO5-fluoro-2,3-dihydroisoxazoleN106FC1=CCNO1InChI=1S/C3H4FNO/c4-3-1-2-5-6-3/h1,5H,2H2InChIKey=VKRMOQPEEVJJBT-UHFFFAOYSA-N112.1Ex 112.13(BP est) -18.58(MP est) ----(BP exp) ----(MP exp) FC1=CCNO1 -18.6PredN
FC1C=CNO1260889.0694C3H4FNO5-fluoro-2,5-dihydroisoxazoleN106FC1C=CNO1InChI=1S/C3H4FNO/c4-3-1-2-5-6-3/h1-3,5HInChIKey=JJVWZYURJYDTIR-UHFFFAOYSA-N107.3Ex 107.31(BP est) -28.37(MP est) ----(BP exp) ----(MP exp) FC1C=CNO1 -28.4PredN
NOC(C#C)F261489.0694C3H4FNOO-(1-fluoroprop-2-yn-1-yl)hydroxylamineN106NOC(C#C)FInChI=1S/C3H4FNO/c1-2-3(4)6-5/h1,3H,5H2InChIKey=MQRQUMSRPCLYBV-UHFFFAOYSA-N84.9Ex 84.85(BP est) -37.83(MP est) ----(BP exp) ----(MP exp) NOC(C#C)F -37.8PredN
NOCC#CF261589.0694C3H4FNOO-(3-fluoroprop-2-yn-1-yl)hydroxylamineN106NOCC#CFInChI=1S/C3H4FNO/c4-2-1-3-6-5/h3,5H2InChIKey=OLNLXHWHGROYBB-UHFFFAOYSA-N108.4Ex 108.42(BP est) 6.12(MP est) ----(BP exp) ----(MP exp) NOCC#CF 6.1PredN
CCC[N+]([O-])=O261889.094C3H7NO21-nitropropaneN136CCC[N+]([O-])=OInChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3InChIKey=JSZOAYXJRCEYSX-UHFFFAOYSA-N146.5Ex 115.18(BP est) -26.19(MP est) 131.10(BP exp) -108.00(MP exp) CCC[N+]([O-])=O -108ExptN
CNC(CO)=O261989.094C3H7NO22-hydroxy-N-methylacetamideN136CNC(CO)=OInChI=1S/C3H7NO2/c1-4-3(6)2-5/h5H,2H2,1H3,(H,4,6)InChIKey=WFAFGNCZWMJZCK-UHFFFAOYSA-N261.2Ex 261.24(BP est) 60.40(MP est) ----(BP exp) ----(MP exp) CNC(CO)=O 60.4PredN
NC(C(C)O)=O262089.094C3H7NO22-hydroxypropanamideN136NC(C(C)O)=OInChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)InChIKey=SXQFCVDSOLSHOQ-UHFFFAOYSA-N250.7Ex 250.68(BP est) 57.36(MP est) ----(BP exp) ----(MP exp) NC(C(C)O)=O 57.4PredY(de Lacy Costello et al. 2014)
NC(COC)=O262189.094C3H7NO22-methoxyacetamideN136NC(COC)=OInChI=1S/C3H7NO2/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)InChIKey=MTEZLAATISORQK-UHFFFAOYSA-N218.2Ex 218.17(BP est) 37.23(MP est) ----(BP exp) ----(MP exp) NC(COC)=O 37.2PredN
CC([N+]([O-])=O)C262289.094C3H7NO22-nitropropaneN136CC([N+]([O-])=O)CInChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3InChIKey=FGLBSLMDCBOPQK-UHFFFAOYSA-N120.2Ex 100.88(BP est) -37.87(MP est) 120.20(BP exp) -91.30(MP exp) CC([N+]([O-])=O)C -91.3ExptN
NCCC(O)=O262389.094C3H7NO23-aminopropanoic acidN136NCCC(O)=OInChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)InChIKey=UCMIRNVEIXFBKS-UHFFFAOYSA-N387.3Ex 387.28(BP est) 256.32(MP est) ----(BP exp) 200.00(MP exp) NCCC(O)=O 200ExptY(Irwin et al. 2012, ExPaSy 2015)
NC(CCO)=O262489.094C3H7NO23-hydroxypropanamideN136NC(CCO)=OInChI=1S/C3H7NO2/c4-3(6)1-2-5/h5H,1-2H2,(H2,4,6)InChIKey=SMGLHFBQMBVRCP-UHFFFAOYSA-N266.5Ex 266.46(BP est) 68.03(MP est) ----(BP exp) ----(MP exp) NC(CCO)=O 68PredN
N[C@@](C)(C(O)=O)[H]262589.094C3H7NO2alanineN136N[C@@](C)(C(O)=O)[H]InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)InChIKey=QNAYBMKLOCPYGJ-UHFFFAOYSA-N380.3Ex 380.28(BP est) 244.05(MP est) ----(BP exp) 292.00(MP exp) N[C@@](C)(C(O)=O)[H] 292ExptY(Irwin et al. 2012, ExPaSy 2015)
NC(OCC)=O262789.094C3H7NO2ethyl carbamateN136NC(OCC)=OInChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)InChIKey=JOYRKODLDBILNP-UHFFFAOYSA-N181.7Ex 117.71(BP est) -34.47(MP est) 185.00(BP exp) 49.00(MP exp) NC(OCC)=O 49ExptY(de Lacy Costello et al. 2014)
OC1CONC1262989.094C3H7NO2isoxazolidin-4-olN136OC1CONC1InChI=1S/C3H7NO2/c5-3-1-4-6-2-3/h3-5H,1-2H2InChIKey=BBWJIHMTJCJDKJ-UHFFFAOYSA-N178.5Ex 178.52(BP est) 22.15(MP est) ----(BP exp) ----(MP exp) OC1CONC1 22.2PredN
NCC(OC)=O263089.094C3H7NO2methyl glycinateN136NCC(OC)=OInChI=1S/C3H7NO2/c1-6-3(5)2-4/h2,4H2,1H3InChIKey=KQSSATDQUYCRGS-UHFFFAOYSA-N117.7Ex 117.71(BP est) -34.47(MP est) ----(BP exp) ----(MP exp) NCC(OC)=O -34.5PredN
O=C(O)CNC263189.094C3H7NO2methylglycineN136O=C(O)CNCInChI=1S/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)InChIKey=FSYKKLYZXJSNPZ-UHFFFAOYSA-N378.2Ex 378.20(BP est) 232.05(MP est) ----(BP exp) 212.50(MP exp) O=C(O)CNC 212.5ExptY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
OCCNC=O263289.094C3H7NO2N-(2-hydroxyethyl)formamideN136OCCNC=OInChI=1S/C3H7NO2/c5-2-1-4-3-6/h3,5H,1-2H2,(H,4,6)InChIKey=BAMUPQJDKBGDPU-UHFFFAOYSA-N262.8Ex 262.80(BP est) 65.17(MP est) ----(BP exp) ----(MP exp) OCCNC=O 65.2PredN
OCNC(C)=O263389.094C3H7NO2N-(hydroxymethyl)acetamideN136OCNC(C)=OInChI=1S/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)InChIKey=HWJHZLJIIWOTGZ-UHFFFAOYSA-N261.2Ex 261.24(BP est) 60.40(MP est) ----(BP exp) ----(MP exp) OCNC(C)=O 60.4PredN
CCONC=O263489.094C3H7NO2N-ethoxyformamideN136CCONC=OInChI=1S/C3H7NO2/c1-2-6-4-3-5/h3H,2H2,1H3,(H,4,5)InChIKey=UOUCOSCMIOFHDV-UHFFFAOYSA-N214.0Ex 213.98(BP est) 34.14(MP est) ----(BP exp) ----(MP exp) CCONC=O 34.1PredN
ONC(CC)=O263589.094C3H7NO2N-hydroxypropionamideN136ONC(CC)=OInChI=1S/C3H7NO2/c1-2-3(5)4-6/h6H,2H2,1H3,(H,4,5)InChIKey=RSIPQHOWTCNEBI-UHFFFAOYSA-N273.4Ex 273.43(BP est) 72.31(MP est) ----(BP exp) ----(MP exp) ONC(CC)=O 72.3PredN
CONC(C)=O263689.094C3H7NO2N-methoxyacetamideN136CONC(C)=OInChI=1S/C3H7NO2/c1-3(5)4-6-2/h1-2H3,(H,4,5)InChIKey=SOZXKDHEWJXRKV-UHFFFAOYSA-N212.2Ex 212.19(BP est) 35.61(MP est) ----(BP exp) ----(MP exp) CONC(C)=O 35.6PredN
CON(C=O)C263789.094C3H7NO2N-methoxy-N-methylformamideN136CON(C=O)CInChI=1S/C3H7NO2/c1-4(3-5)6-2/h3H,1-2H3InChIKey=WHWRXFLOPJUZDK-UHFFFAOYSA-N141.2Ex 141.20(BP est) -13.92(MP est) ----(BP exp) ----(MP exp) CON(C=O)C -13.9PredN
NOC1COC1263889.094C3H7NO2O-(oxetan-3-yl)hydroxylamineN136NOC1COC1InChI=1S/C3H7NO2/c4-6-3-1-5-2-3/h3H,1-2,4H2InChIKey=WJDQJMJEIKZFFN-UHFFFAOYSA-N125.0Ex 125.02(BP est) -21.89(MP est) ----(BP exp) ----(MP exp) NOC1COC1 -21.9PredN
NNC(C)N=O263989.098C2H7N3O(1-nitrosoethyl)hydrazineN136NNC(C)N=OInChI=1S/C2H7N3O/c1-2(4-3)5-6/h2,4H,3H2,1H3InChIKey=AKHOZEGGOCOBOH-UHFFFAOYSA-N103.1Ex 103.06(BP est) 8.97(MP est) ----(BP exp) ----(MP exp) NNC(C)N=O 9PredN
NN(C(N)=O)C264089.098C2H7N3O1-methylhydrazine-1-carboxamideN136NN(C(N)=O)CInChI=1S/C2H7N3O/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)InChIKey=DOORGKNGFZOACY-UHFFFAOYSA-N228.0Ex 227.97(BP est) 49.87(MP est) ----(BP exp) ----(MP exp) NN(C(N)=O)C 49.9PredN
NNC(NC)=O264189.098C2H7N3ON-methylhydrazinecarboxamideN136NNC(NC)=OInChI=1S/C2H7N3O/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)InChIKey=LHYKTQVFLKHQSR-UHFFFAOYSA-N223.9Ex 223.88(BP est) 46.83(MP est) ----(BP exp) ----(MP exp) NNC(NC)=O 46.8PredN
NNC(NN)=N264289.102CH7N5hydrazinecarboximidhydrazideN136NNC(NN)=NInChI=1S/CH7N5/c2-1(5-3)6-4/h3-4H2,(H3,2,5,6)InChIKey=JGGFDEJXWLAQKR-UHFFFAOYSA-N225.8Ex 225.77(BP est) 55.75(MP est) ----(BP exp) ----(MP exp) NNC(NN)=N 55.8PredN
C\1=N\OCS/1264389.112C2H3NOS1,4,2-oxathiazoleN85C\1=N\OCS/1InChI=1S/C2H3NOS/c1-3-4-2-5-1/h1H,2H2InChIKey=CEBAFUFWRQAHJL-UHFFFAOYSA-N130.1Ex 130.07(BP est) -3.56(MP est) ----(BP exp) ----(MP exp) C\1=N\OCS/1 -3.6PredN
NCC(F)(C1)(C1)264589.1134C4H8FN(1-fluorocyclopropyl)methanamineN146NCC(F)(C1)(C1)InChI=1S/C4H8FN/c5-4(3-6)1-2-4/h1-3,6H2InChIKey=RGPSNMVRDPZUDL-UHFFFAOYSA-N81.3Ex 81.29(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) NCC(F)(C1)(C1) -39.4PredN
NCC(C1)(C1F)264689.1134C4H8FN(2-fluorocyclopropyl)methanamineN146NCC(C1)(C1F)InChI=1S/C4H8FN/c5-4-1-3(4)2-6/h3-4H,1-2,6H2InChIKey=FJMDPUBWXXHDEU-UHFFFAOYSA-N87.1Ex 87.14(BP est) -51.77(MP est) ----(BP exp) ----(MP exp) NCC(C1)(C1F) -51.8PredN
NC(CF)(C1)(C1)264789.1134C4H8FN1-(fluoromethyl)cyclopropan-1-amineN146NC(CF)(C1)(C1)InChI=1S/C4H8FN/c5-3-4(6)1-2-4/h1-3,6H2InChIKey=VCNKCWHQFSVVPH-UHFFFAOYSA-N81.3Ex 81.29(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) NC(CF)(C1)(C1) -39.4PredN
NC(F)(CC=C)264889.1134C4H8FN1-fluorobut-3-en-1-amineN146NC(F)(CC=C)InChI=1S/C4H8FN/c1-2-3-4(5)6/h2,4H,1,3,6H2InChIKey=BXQYEPYCNOUFTM-UHFFFAOYSA-N73.3Ex 73.33(BP est) -71.04(MP est) ----(BP exp) ----(MP exp) NC(F)(CC=C) -71PredN
NC(CF)(C=C)264989.1134C4H8FN1-fluorobut-3-en-2-amineN146NC(CF)(C=C)InChI=1S/C4H8FN/c1-2-4(6)3-5/h2,4H,1,3,6H2InChIKey=DDMNKCNXQGQSSZ-UHFFFAOYSA-N73.3Ex 73.33(BP est) -71.04(MP est) ----(BP exp) ----(MP exp) NC(CF)(C=C) -71PredN
NC(F)(C1)(CC1)265089.1134C4H8FN1-fluorocyclobutan-1-amineN146NC(F)(C1)(CC1)InChI=1S/C4H8FN/c5-4(6)2-1-3-4/h1-3,6H2InChIKey=SJEUJMREAYTVSG-UHFFFAOYSA-N83.6Ex 83.55(BP est) -40.51(MP est) ----(BP exp) ----(MP exp) NC(F)(C1)(CC1) -40.5PredN
CNC(F)(C1)(C1)265189.1134C4H8FN1-fluoro-N-methylcyclopropan-1-amineN146CNC(F)(C1)(C1)InChI=1S/C4H8FN/c1-6-4(5)2-3-4/h6H,2-3H2,1H3InChIKey=LGADMSRSYPZPCX-UHFFFAOYSA-N61.7Ex 61.68(BP est) -60.44(MP est) ----(BP exp) ----(MP exp) CNC(F)(C1)(C1) -60.4PredN
CNC(F)(C=C)265289.1134C4H8FN1-fluoro-N-methylprop-2-en-1-amineN146CNC(F)(C=C)InChI=1S/C4H8FN/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=OJKRQYROHABGRV-UHFFFAOYSA-N53.5Ex 53.50(BP est) -92.13(MP est) ----(BP exp) ----(MP exp) CNC(F)(C=C) -92.1PredN
FC(C)C1CN1265389.1134C4H8FN2-(1-fluoroethyl)aziridineN146FC(C)C1CN1InChI=1S/C4H8FN/c1-3(5)4-2-6-4/h3-4,6H,2H2,1H3InChIKey=IRLWGSMVLUSZEI-UHFFFAOYSA-N78.5Ex 78.47(BP est) -48.80(MP est) ----(BP exp) ----(MP exp) FC(C)C1CN1 -48.8PredN
FCCC1CN1265489.1134C4H8FN2-(2-fluoroethyl)aziridineN146FCCC1CN1InChI=1S/C4H8FN/c5-2-1-4-3-6-4/h4,6H,1-3H2InChIKey=VVYDCILSLAXIIM-UHFFFAOYSA-N93.3Ex 93.27(BP est) -36.98(MP est) ----(BP exp) ----(MP exp) FCCC1CN1 -37PredN
CC1(CF)CN1265589.1134C4H8FN2-(fluoromethyl)-2-methylaziridineN146CC1(CF)CN1InChI=1S/C4H8FN/c1-4(2-5)3-6-4/h6H,2-3H2,1H3InChIKey=UEDMTUHSXQKHLL-UHFFFAOYSA-N80.3Ex 80.33(BP est) -28.81(MP est) ----(BP exp) ----(MP exp) CC1(CF)CN1 -28.8PredN
CC1C(CF)N1265689.1134C4H8FN2-(fluoromethyl)-3-methylaziridineN146CC1C(CF)N1InChI=1S/C4H8FN/c1-3-4(2-5)6-3/h3-4,6H,2H2,1H3InChIKey=HJOUKWLOCMCFBY-UHFFFAOYSA-N86.2Ex 86.19(BP est) -41.17(MP est) ----(BP exp) ----(MP exp) CC1C(CF)N1 -41.2PredN
FCC1NCC1265789.1134C4H8FN2-(fluoromethyl)azetidineN146FCC1NCC1InChI=1S/C4H8FN/c5-3-4-1-2-6-4/h4,6H,1-3H2InChIKey=FJEHOKRORRMMCC-UHFFFAOYSA-N95.5Ex 95.49(BP est) -38.09(MP est) ----(BP exp) ----(MP exp) FCC1NCC1 -38.1PredN
FC1(CC)CN1265889.1134C4H8FN2-ethyl-2-fluoroaziridineN146FC1(CC)CN1InChI=1S/C4H8FN/c1-2-4(5)3-6-4/h6H,2-3H2,1H3InChIKey=JOUCKLKTWALGRC-UHFFFAOYSA-N80.3Ex 80.33(BP est) -28.81(MP est) ----(BP exp) ----(MP exp) FC1(CC)CN1 -28.8PredN
FC1C(CC)N1265989.1134C4H8FN2-ethyl-3-fluoroaziridineN146FC1C(CC)N1InChI=1S/C4H8FN/c1-2-3-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=AJLIEQHOPFMGCQ-UHFFFAOYSA-N86.2Ex 86.19(BP est) -41.17(MP est) ----(BP exp) ----(MP exp) FC1C(CC)N1 -41.2PredN
NC(C)(C1)(C1F)266089.1134C4H8FN2-fluoro-1-methylcyclopropan-1-amineN146NC(C)(C1)(C1F)InChI=1S/C4H8FN/c1-4(6)2-3(4)5/h3H,2,6H2,1H3InChIKey=POXPZZKUMFCRIP-UHFFFAOYSA-N74.1Ex 74.09(BP est) -43.64(MP est) ----(BP exp) ----(MP exp) NC(C)(C1)(C1F) -43.6PredN
CC1C(F)(C)N1266189.1134C4H8FN2-fluoro-2,3-dimethylaziridineN146CC1C(F)(C)N1InChI=1S/C4H8FN/c1-3-4(2,5)6-3/h3,6H,1-2H3InChIKey=FWZYOFFHKLYRTC-UHFFFAOYSA-N73.1Ex 73.12(BP est) -33.03(MP est) ----(BP exp) ----(MP exp) CC1C(F)(C)N1 -33PredN
FC1(C)NCC1266289.1134C4H8FN2-fluoro-2-methylazetidineN146FC1(C)NCC1InChI=1S/C4H8FN/c1-4(5)2-3-6-4/h6H,2-3H2,1H3InChIKey=QFSUABAGHVBTMT-UHFFFAOYSA-N82.6Ex 82.59(BP est) -29.91(MP est) ----(BP exp) ----(MP exp) FC1(C)NCC1 -29.9PredN
FC1NCC1C266389.1134C4H8FN2-fluoro-3-methylazetidineN146FC1NCC1CInChI=1S/C4H8FN/c1-3-2-6-4(3)5/h3-4,6H,2H2,1H3InChIKey=KAOCCROEQCERRY-UHFFFAOYSA-N88.4Ex 88.44(BP est) -42.27(MP est) ----(BP exp) ----(MP exp) FC1NCC1C -42.3PredN
FC1CC(C)N1266489.1134C4H8FN2-fluoro-4-methylazetidineN146FC1CC(C)N1InChI=1S/C4H8FN/c1-3-2-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=UCJIPZBINSNRRP-UHFFFAOYSA-N88.4Ex 88.44(BP est) -42.27(MP est) ----(BP exp) ----(MP exp) FC1CC(C)N1 -42.3PredN
NC(C(F)C=C)266589.1134C4H8FN2-fluorobut-3-en-1-amineN146NC(C(F)C=C)InChI=1S/C4H8FN/c1-2-4(5)3-6/h2,4H,1,3,6H2InChIKey=MNIZGWVRAFIZFK-UHFFFAOYSA-N73.3Ex 73.33(BP est) -71.04(MP est) ----(BP exp) ----(MP exp) NC(C(F)C=C) -71PredN
NC(F)(C)(C=C)266689.1134C4H8FN2-fluorobut-3-en-2-amineN146NC(F)(C)(C=C)InChI=1S/C4H8FN/c1-3-4(2,5)6/h3H,1,6H2,2H3InChIKey=LSWJEMTVVADKDX-UHFFFAOYSA-N63.4Ex 63.35(BP est) -65.24(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(C=C) -65.2PredN
NC(C1)(C(F)C1)266789.1134C4H8FN2-fluorocyclobutan-1-amineN146NC(C1)(C(F)C1)InChI=1S/C4H8FN/c5-3-1-2-4(3)6/h3-4H,1-2,6H2InChIKey=BCPCGXVZMKTSKQ-UHFFFAOYSA-N89.4Ex 89.39(BP est) -52.88(MP est) ----(BP exp) ----(MP exp) NC(C1)(C(F)C1) -52.9PredN
CNC(C1)(C1F)266889.1134C4H8FN2-fluoro-N-methylcyclopropan-1-amineN146CNC(C1)(C1F)InChI=1S/C4H8FN/c1-6-4-2-3(4)5/h3-4,6H,2H2,1H3InChIKey=RKUINTQGIJXFKK-UHFFFAOYSA-N67.7Ex 67.70(BP est) -72.75(MP est) ----(BP exp) ----(MP exp) CNC(C1)(C1F) -72.8PredN
CNC(C(F)=C)266989.1134C4H8FN2-fluoro-N-methylprop-2-en-1-amineN146CNC(C(F)=C)InChI=1S/C4H8FN/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=UPZLKJCTFLCRJN-UHFFFAOYSA-N61.9Ex 61.93(BP est) -89.14(MP est) ----(BP exp) ----(MP exp) CNC(C(F)=C) -89.1PredN
C(C1)NC(F)(C1)267089.1134C4H8FN2-fluoropyrrolidineN146C(C1)NC(F)(C1)InChI=1S/C4H8FN/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=OQDXZZHGQBFAKM-UHFFFAOYSA-N97.7Ex 97.70(BP est) -39.21(MP est) ----(BP exp) ----(MP exp) C(C1)NC(F)(C1) -39.2PredN
FCC1CNC1267189.1134C4H8FN3-(fluoromethyl)azetidineN146FCC1CNC1InChI=1S/C4H8FN/c5-1-4-2-6-3-4/h4,6H,1-3H2InChIKey=XHELGHANYVVRLW-UHFFFAOYSA-N95.5Ex 95.49(BP est) -38.09(MP est) ----(BP exp) ----(MP exp) FCC1CNC1 -38.1PredN
FC1C(C)(C)N1267289.1134C4H8FN3-fluoro-2,2-dimethylaziridineN146FC1C(C)(C)N1InChI=1S/C4H8FN/c1-4(2)3(5)6-4/h3,6H,1-2H3InChIKey=QSNLQLZVBIGKGH-UHFFFAOYSA-N73.1Ex 73.12(BP est) -33.03(MP est) ----(BP exp) ----(MP exp) FC1C(C)(C)N1 -33PredN
CC1NCC1F267389.1134C4H8FN3-fluoro-2-methylazetidineN146CC1NCC1FInChI=1S/C4H8FN/c1-3-4(5)2-6-3/h3-4,6H,2H2,1H3InChIKey=UXEHOOOMCCXWNZ-UHFFFAOYSA-N88.4Ex 88.44(BP est) -42.27(MP est) ----(BP exp) ----(MP exp) CC1NCC1F -42.3PredN
FC1(C)CNC1267489.1134C4H8FN3-fluoro-3-methylazetidineN146FC1(C)CNC1InChI=1S/C4H8FN/c1-4(5)2-6-3-4/h6H,2-3H2,1H3InChIKey=WFERYMPRVKKATO-UHFFFAOYSA-N82.6Ex 82.59(BP est) -29.91(MP est) ----(BP exp) ----(MP exp) FC1(C)CNC1 -29.9PredN
NC(CC(F)=C)267589.1134C4H8FN3-fluorobut-3-en-1-amineN146NC(CC(F)=C)InChI=1S/C4H8FN/c1-4(5)2-3-6/h1-3,6H2InChIKey=JMEHTIOUWMKPJQ-UHFFFAOYSA-N81.5Ex 81.53(BP est) -68.12(MP est) ----(BP exp) ----(MP exp) NC(CC(F)=C) -68.1PredN
NC(C)(C(F)=C)267689.1134C4H8FN3-fluorobut-3-en-2-amineN146NC(C)(C(F)=C)InChI=1S/C4H8FN/c1-3(5)4(2)6/h4H,1,6H2,2H3InChIKey=PQHYZAAPHSPTRM-UHFFFAOYSA-N66.5Ex 66.47(BP est) -80.02(MP est) ----(BP exp) ----(MP exp) NC(C)(C(F)=C) -80PredN
NC(C1)(CC1F)267789.1134C4H8FN3-fluorocyclobutan-1-amineN146NC(C1)(CC1F)InChI=1S/C4H8FN/c5-3-1-4(6)2-3/h3-4H,1-2,6H2InChIKey=APCSZMINSACNSQ-UHFFFAOYSA-N89.4Ex 89.39(BP est) -52.88(MP est) ----(BP exp) ----(MP exp) NC(C1)(CC1F) -52.9PredN
CNC(C=CF)267889.1134C4H8FN3-fluoro-N-methylprop-2-en-1-amineN146CNC(C=CF)InChI=1S/C4H8FN/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=GKHBZPYSWBBPMK-UHFFFAOYSA-N78.4Ex 78.41(BP est) -79.02(MP est) ----(BP exp) ----(MP exp) CNC(C=CF) -79PredN
C(C1)NC(C1F)267989.1134C4H8FN3-fluoropyrrolidineN146C(C1)NC(C1F)InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=CDDGNGVFPQRJJM-UHFFFAOYSA-N97.7Ex 97.70(BP est) -39.21(MP est) ----(BP exp) ----(MP exp) C(C1)NC(C1F) -39.2PredN
NC(CC=CF)268089.1134C4H8FN4-fluorobut-3-en-1-amineN146NC(CC=CF)InChI=1S/C4H8FN/c5-3-1-2-4-6/h1,3H,2,4,6H2InChIKey=INUOPOJUOVSUAK-UHFFFAOYSA-N97.5Ex 97.54(BP est) -58.13(MP est) ----(BP exp) ----(MP exp) NC(CC=CF) -58.1PredN
NC(C)(C=CF)268189.1134C4H8FN4-fluorobut-3-en-2-amineN146NC(C)(C=CF)InChI=1S/C4H8FN/c1-4(6)2-3-5/h2-4H,6H2,1H3InChIKey=BROANTPMJFKWKT-UHFFFAOYSA-N82.8Ex 82.84(BP est) -69.92(MP est) ----(BP exp) ----(MP exp) NC(C)(C=CF) -69.9PredN
NC(F)C(C1)(C1)268289.1134C4H8FNcyclopropylfluoromethanamineN146NC(F)C(C1)(C1)InChI=1S/C4H8FN/c5-4(6)3-1-2-3/h3-4H,1-2,6H2InChIKey=DDXHHWAJEDZPQN-UHFFFAOYSA-N79.4Ex 79.43(BP est) -59.41(MP est) ----(BP exp) ----(MP exp) NC(F)C(C1)(C1) -59.4PredN
C(F)NC(C1)(C1)268389.1134C4H8FNN-(fluoromethyl)cyclopropanamineN146C(F)NC(C1)(C1)InChI=1S/C4H8FN/c5-3-6-4-1-2-4/h4,6H,1-3H2InChIKey=FTPWCJSKCRTKHJ-UHFFFAOYSA-N75.0Ex 74.97(BP est) -68.51(MP est) ----(BP exp) ----(MP exp) C(F)NC(C1)(C1) -68.5PredN
C(F)NC(C=C)268489.1134C4H8FNN-(fluoromethyl)prop-2-en-1-amineN146C(F)NC(C=C)InChI=1S/C4H8FN/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=DRFWOVBEKSXUJJ-UHFFFAOYSA-N68.8Ex 68.84(BP est) -80.15(MP est) ----(BP exp) ----(MP exp) C(F)NC(C=C) -80.2PredN
CNCC(C)O268589.138C4H11NO1-(methylamino)propan-2-olN176CNCC(C)OInChI=1S/C4H11NO/c1-4(6)3-5-2/h4-6H,3H2,1-2H3InChIKey=AEKHFLDILSDXBL-UHFFFAOYSA-N135.7Ex 135.67(BP est) -37.14(MP est) ----(BP exp) ----(MP exp) CNCC(C)O -37.1PredN
NCC(C)(C)O268689.138C4H11NO1-amino-2-methylpropan-2-olN176NCC(C)(C)OInChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3InChIKey=LXQMHOKEXZETKB-UHFFFAOYSA-N150.5Ex 133.83(BP est) -13.67(MP est) ----(BP exp) ----(MP exp) NCC(C)(C)O -13.7PredY(DNP 2017)
NCC(O)(CC)268789.138C4H11NO1-aminobutan-2-olN176NCC(O)(CC)InChI=1S/C4H11NO/c1-2-4(6)3-5/h4,6H,2-3,5H2,1H3InChIKey=KODLUXHSIZOKTG-UHFFFAOYSA-N168.9Ex 153.11(BP est) -16.75(MP est) 169.00(BP exp) 3.00(MP exp) NCC(O)(CC) 3ExptN
NC(OCC)C268889.138C4H11NO1-ethoxyethan-1-amineN176NC(OCC)CInChI=1S/C4H11NO/c1-3-6-4(2)5/h4H,3,5H2,1-2H3InChIKey=ILRZBPLDJKEWRW-UHFFFAOYSA-N98.3Ex 98.27(BP est) -52.06(MP est) ----(BP exp) ----(MP exp) NC(OCC)C -52.1PredN
CNCOCC268989.138C4H11NO1-ethoxy-N-methylmethanamineN176CNCOCCInChI=1S/C4H11NO/c1-3-6-4-5-2/h5H,3-4H2,1-2H3InChIKey=RLEWPIDGRLZEPU-UHFFFAOYSA-N93.9Ex 93.94(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) CNCOCC -61.1PredN
CNC(OC)C269089.138C4H11NO1-methoxy-N-methylethan-1-amineN176CNC(OC)CInChI=1S/C4H11NO/c1-4(5-2)6-3/h4-5H,1-3H3InChIKey=JAKDCRZCZAETHF-UHFFFAOYSA-N79.2Ex 79.15(BP est) -72.94(MP est) ----(BP exp) ----(MP exp) CNC(OC)C -72.9PredN
NC(OC)CC269189.138C4H11NO1-methoxypropan-1-amineN176NC(OC)CCInChI=1S/C4H11NO/c1-3-4(5)6-2/h4H,3,5H2,1-2H3InChIKey=KNYKHCLCBHSFCK-UHFFFAOYSA-N98.3Ex 98.27(BP est) -52.06(MP est) ----(BP exp) ----(MP exp) NC(OC)CC -52.1PredN
NC(COC)C269289.138C4H11NO1-methoxypropan-2-amineN176NC(COC)CInChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3InChIKey=NXMXETCTWNXSFG-UHFFFAOYSA-N94.9Ex 98.27(BP est) -52.06(MP est) ----(BP exp) ----(MP exp) NC(COC)C -52.1PredN
OCCN(C)C269389.138C4H11NO2-(dimethylamino)ethan-1-olN176OCCN(C)CInChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3InChIKey=UEEJHVSXFDXPFK-UHFFFAOYSA-N133.6Ex 136.32(BP est) -39.55(MP est) 134.00(BP exp) -59.00(MP exp) OCCN(C)C -59ExptY(DNP 2017)
C(C)NCC(O)269489.138C4H11NO2-(ethylamino)ethan-1-olN176C(C)NCC(O)InChI=1S/C4H11NO/c1-2-5-3-4-6/h5-6H,2-4H2,1H3InChIKey=MIJDSYMOBYNHOT-UHFFFAOYSA-N169.4Ex 156.26(BP est) -23.63(MP est) 169.50(BP exp) ----(MP exp) C(C)NCC(O) -23.6PredY(Gu et al. 2013)
CNC(CO)C269589.138C4H11NO2-(methylamino)propan-1-olN176CNC(CO)CInChI=1S/C4H11NO/c1-4(3-6)5-2/h4-6H,3H2,1-2H3InChIKey=PXWASTUQOKUFKY-UHFFFAOYSA-N143.0Ex 142.95(BP est) -35.02(MP est) ----(BP exp) ----(MP exp) CNC(CO)C -35PredN
NC(C)(C)C(O)269689.138C4H11NO2-amino-2-methylpropan-1-olN176NC(C)(C)C(O)InChI=1S/C4H11NO/c1-4(2,5)3-6/h6H,3,5H2,1-2H3InChIKey=CBTVGIZVANVGBH-UHFFFAOYSA-N165.1Ex 151.50(BP est) -8.51(MP est) 165.50(BP exp) 25.50(MP exp) NC(C)(C)C(O) 25.5ExptN
NC(CC)C(O)269789.138C4H11NO2-aminobutan-1-olN176NC(CC)C(O)InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3InChIKey=JCBPETKZIGVZRE-UHFFFAOYSA-N175.7Ex 160.15(BP est) -14.70(MP est) 178.00(BP exp) -2.00(MP exp) NC(CC)C(O) -2ExptN
NCCOCC269889.138C4H11NO2-ethoxyethan-1-amineN176NCCOCCInChI=1S/C4H11NO/c1-2-6-4-3-5/h2-5H2,1H3InChIKey=BPGIOCZAQDIBPI-UHFFFAOYSA-N107.3Ex 112.63(BP est) -40.36(MP est) 108.00(BP exp) ----(MP exp) NCCOCC -40.4PredN
COCCNC269989.138C4H11NO2-methoxy-N-methylethan-1-amineN176COCCNCInChI=1S/C4H11NO/c1-5-3-4-6-2/h5H,3-4H2,1-2H3InChIKey=KOHBEDRJXKOYHL-UHFFFAOYSA-N93.9Ex 93.94(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) COCCNC -61.1PredN
NCC(OC)C270089.138C4H11NO2-methoxypropan-1-amineN176NCC(OC)CInChI=1S/C4H11NO/c1-4(3-5)6-2/h4H,3,5H2,1-2H3InChIKey=UANWURKQKKYIGV-UHFFFAOYSA-N97.0Ex 98.27(BP est) -52.06(MP est) ----(BP exp) ----(MP exp) NCC(OC)C -52.1PredN
NC(C)(OC)C270189.138C4H11NO2-methoxypropan-2-amineN176NC(C)(OC)CInChI=1S/C4H11NO/c1-4(2,5)6-3/h5H2,1-3H3InChIKey=JKVXCYAWVKQKGA-UHFFFAOYSA-N88.7Ex 88.65(BP est) -46.15(MP est) ----(BP exp) ----(MP exp) NC(C)(OC)C -46.2PredN
OCCCNC270289.138C4H11NO3-(methylamino)propan-1-olN176OCCCNCInChI=1S/C4H11NO/c1-5-3-2-4-6/h5-6H,2-4H2,1H3InChIKey=KRGXWTOLFOPIKV-UHFFFAOYSA-N172.5Ex 156.26(BP est) -23.63(MP est) ----(BP exp) ----(MP exp) OCCCNC -23.6PredN
NCC(C)C(O)270389.138C4H11NO3-amino-2-methylpropan-1-olN176NCC(C)C(O)InChI=1S/C4H11NO/c1-4(2-5)3-6/h4,6H,2-3,5H2,1H3InChIKey=FVXBTPGZQMNAEZ-UHFFFAOYSA-N160.2Ex 160.15(BP est) -14.70(MP est) ----(BP exp) ----(MP exp) NCC(C)C(O) -14.7PredN
NC(C)CC(O)270489.138C4H11NO3-aminobutan-1-olN176NC(C)CC(O)InChI=1S/C4H11NO/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3InChIKey=AGMZSYQMSHMXLT-UHFFFAOYSA-N153.7Ex 160.15(BP est) -14.70(MP est) ----(BP exp) ----(MP exp) NC(C)CC(O) -14.7PredN
NC(C(C)O)C270589.138C4H11NO3-aminobutan-2-olN176NC(C(C)O)CInChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3InChIKey=FERWBXLFSBWTDE-UHFFFAOYSA-N160.0Ex 139.72(BP est) -28.16(MP est) ----(BP exp) ----(MP exp) NC(C(C)O)C -28.2PredN
NCCCOC270689.138C4H11NO3-methoxypropan-1-amineN176NCCCOCInChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3InChIKey=FAXDZWQIWUSWJH-UHFFFAOYSA-N118.3Ex 112.63(BP est) -40.36(MP est) 117.50(BP exp) ----(MP exp) NCCCOC -40.4PredN
OCCCCN270789.138C4H11NO4-aminobutan-1-olN176OCCCCNInChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2InChIKey=BLFRQYKZFKYQLO-UHFFFAOYSA-N206.3Ex 173.03(BP est) -3.43(MP est) ----(BP exp) ----(MP exp) OCCCCN -3.4PredN
NCCC(C)O270889.138C4H11NO4-aminobutan-2-olN176NCCC(C)OInChI=1S/C4H11NO/c1-4(6)2-3-5/h4,6H,2-3,5H2,1H3InChIKey=NAXUFNXWXFZVSI-UHFFFAOYSA-N153.7Ex 153.11(BP est) -16.75(MP est) ----(BP exp) ----(MP exp) NCCC(C)O -16.8PredN
NCOC(C)C270989.138C4H11NOisopropoxymethanamineN176NCOC(C)CInChI=1S/C4H11NO/c1-4(2)6-3-5/h4H,3,5H2,1-2H3InChIKey=QNBWVIGJQKJOSW-UHFFFAOYSA-N98.3Ex 98.27(BP est) -52.06(MP est) ----(BP exp) ----(MP exp) NCOC(C)C -52.1PredN
CCNCOC271089.138C4H11NON-(methoxymethyl)ethanamineN176CCNCOCInChI=1S/C4H11NO/c1-3-5-4-6-2/h5H,3-4H2,1-2H3InChIKey=ZULMPNUHOQJDDK-UHFFFAOYSA-N93.9Ex 93.94(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) CCNCOC -61.1PredN
ONC(C)(C)C271189.138C4H11NON-(tert-butyl)hydroxylamineN176ONC(C)(C)CInChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3InChIKey=XWESXZZECGOXDQ-UHFFFAOYSA-N150.5Ex 150.47(BP est) -24.11(MP est) ----(BP exp) ----(MP exp) ONC(C)(C)C -24.1PredN
CCN(O)CC271289.138C4H11NON,N-diethylhydroxylamineN176CCN(O)CCInChI=1S/C4H11NO/c1-3-5(6)4-2/h6H,3-4H2,1-2H3InChIKey=FVCOIAYSJZGECG-UHFFFAOYSA-N127.5Ex 219.58(BP est) 7.84(MP est) 133.00(BP exp) 10.00(MP exp) CCN(O)CC 10ExptN
CCNOCC271389.138C4H11NON,O-diethylhydroxylamineN176CCNOCCInChI=1S/C4H11NO/c1-3-5-6-4-2/h5H,3-4H2,1-2H3InChIKey=DYUSVPKMWAMYDH-UHFFFAOYSA-N93.9Ex 93.94(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) CCNOCC -61.1PredN
CN(OC)CC271489.138C4H11NON-ethyl-N,O-dimethylhydroxylamineN176CN(OC)CCInChI=1S/C4H11NO/c1-4-5(2)6-3/h4H2,1-3H3InChIKey=WRRUXPUFAMJPPS-UHFFFAOYSA-N71.8Ex 71.80(BP est) -77.68(MP est) ----(BP exp) ----(MP exp) CN(OC)CC -77.7PredN
CN(O)CCC271589.138C4H11NON-methyl-N-propylhydroxylamineN176CN(O)CCCInChI=1S/C4H11NO/c1-3-4-5(2)6/h6H,3-4H2,1-2H3InChIKey=CPSHTTIOTFLGFS-UHFFFAOYSA-N219.6Ex 219.58(BP est) 7.84(MP est) ----(BP exp) ----(MP exp) CN(O)CCC 7.8PredN
CNOCCC271689.138C4H11NON-methyl-O-propylhydroxylamineN176CNOCCCInChI=1S/C4H11NO/c1-3-4-6-5-2/h5H,3-4H2,1-2H3InChIKey=CMJUIQHOXMXIFQ-UHFFFAOYSA-N93.9Ex 93.94(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) CNOCCC -61.1PredN
NOCCCC271789.138C4H11NOO-butylhydroxylamineN176NOCCCCInChI=1S/C4H11NO/c1-2-3-4-6-5/h2-5H2,1H3InChIKey=WCVVIGQKJZLJDB-UHFFFAOYSA-N112.6Ex 112.63(BP est) -40.36(MP est) ----(BP exp) ----(MP exp) NOCCCC -40.4PredN
CN(OCC)C271889.138C4H11NOO-ethyl-N,N-dimethylhydroxylamineN176CN(OCC)CInChI=1S/C4H11NO/c1-4-6-5(2)3/h4H2,1-3H3InChIKey=BMFAHGFVLAYRNM-UHFFFAOYSA-N71.8Ex 71.80(BP est) -77.68(MP est) ----(BP exp) ----(MP exp) CN(OCC)C -77.7PredN
CCCNOC271989.138C4H11NOO-methyl-N-propylhydroxylamineN176CCCNOCInChI=1S/C4H11NO/c1-3-4-5-6-2/h5H,3-4H2,1-2H3InChIKey=IUVIGVRSTLVOQI-UHFFFAOYSA-N93.9Ex 93.94(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) CCCNOC -61.1PredN
NCOCCC272089.138C4H11NOpropoxymethanamineN176NCOCCCInChI=1S/C4H11NO/c1-2-3-6-4-5/h2-5H2,1H3InChIKey=QLGGKSSLRJWNNV-UHFFFAOYSA-N112.6Ex 112.63(BP est) -40.36(MP est) ----(BP exp) ----(MP exp) NCOCCC -40.4PredN
NC(CN)CN272189.142C3H11N3propane-1,2,3-triamineN176NC(CN)CNInChI=1S/C3H11N3/c4-1-3(6)2-5/h3H,1-2,4-6H2InChIKey=PZZICILSCNDOKK-UHFFFAOYSA-N172.1Ex 172.09(BP est) 11.41(MP est) ----(BP exp) ----(MP exp) NC(CN)CN 11.4PredN
S=CN(C)C272289.156C3H7NSN,N-dimethylmethanethioamideN125S=CN(C)CInChI=1S/C3H7NS/c1-4(2)3-5/h3H,1-2H3InChIKey=SKECXRFZFFAANN-UHFFFAOYSA-N25.4Ex 25.43(BP est) -101.05(MP est) ----(BP exp) ----(MP exp) S=CN(C)C -101.1PredY(de Lacy Costello et al. 2014)
S=C(CC)N272389.156C3H7NSpropanethioamideN125S=C(CC)NInChI=1S/C3H7NS/c1-2-3(4)5/h2H2,1H3,(H2,4,5)InChIKey=WPZSAUFQHYFIPG-UHFFFAOYSA-N143.5Ex 143.50(BP est) -8.74(MP est) ----(BP exp) ----(MP exp) S=C(CC)N -8.7PredN
S1CNCC1272489.156C3H7NSthiazolidineN125S1CNCC1InChI=1S/C3H7NS/c1-2-5-3-4-1/h4H,1-3H2InChIKey=OGYGFUAIIOPWQD-UHFFFAOYSA-N143.0Ex 142.98(BP est) 8.93(MP est) ----(BP exp) ----(MP exp) S1CNCC1 8.9PredY(de Lacy Costello et al. 2014)
NC1CSC1272589.156C3H7NSthietan-3-amineN125NC1CSC1InChI=1S/C3H7NS/c4-3-1-5-2-3/h3H,1-2,4H2InChIKey=GNWIATZLVXZUEL-UHFFFAOYSA-N135.3Ex 135.27(BP est) -4.57(MP est) ----(BP exp) ----(MP exp) NC1CSC1 -4.6PredN
NC(C#C)Cl272689.522C3H4ClN1-chloroprop-2-yn-1-amineN95NC(C#C)ClInChI=1S/C3H4ClN/c1-2-3(4)5/h1,3H,5H2InChIKey=LSHAEYBRHMJTCG-UHFFFAOYSA-N108.9Ex 108.89(BP est) -27.26(MP est) ----(BP exp) ----(MP exp) NC(C#C)Cl -27.3PredN
ClCC1=CN1272789.522C3H4ClN2-(chloromethyl)-1H-azirineN95ClCC1=CN1InChI=1S/C3H4ClN/c4-1-3-2-5-3/h2,5H,1H2InChIKey=RMBICXDMDYAUJF-UHFFFAOYSA-N138.1Ex 138.12(BP est) -6.10(MP est) ----(BP exp) ----(MP exp) ClCC1=CN1 -6.1PredN
ClC(N1)=C1C272889.522C3H4ClN2-chloro-3-methyl-1H-azirineN95ClC(N1)=C1CInChI=1S/C3H4ClN/c1-2-3(4)5-2/h5H,1H3InChIKey=PEBZQVSUCXHMHN-UHFFFAOYSA-N108.9Ex 108.88(BP est) -8.37(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1C -8.4PredN
NC(C#CCl)272989.522C3H4ClN3-chloroprop-2-yn-1-amineN95NC(C#CCl)InChI=1S/C3H4ClN/c4-2-1-3-5/h3,5H2InChIKey=CKDJJJRVSQZFQM-UHFFFAOYSA-N117.0Ex 116.97(BP est) 12.16(MP est) ----(BP exp) ----(MP exp) NC(C#CCl) 12.2PredN
B1(OCCO1)F273289.8604C2H4BFO22-fluoro-1,3,2-dioxaborolaneN106B1(OCCO1)FInChI=1S/C2H4BFO2/c4-3-5-1-2-6-3/h1-2H2InChIKey=ZMQXEXOFIHTELU-UHFFFAOYSA-N49.6Ex 49.59(BP est) -92.27(MP est) ----(BP exp) ----(MP exp) B1(OCCO1)F -92.3PredN
C=CCB(F)F273389.8798C3H5BF2allyldifluoroboraneN116C=CCB(F)FInChI=1S/C3H5BF2/c1-2-3-4(5)6/h2H,1,3H2InChIKey=DZPYCXVIFCNJRJ-UHFFFAOYSA-N-5.8Ex -5.82(BP est) -139.30(MP est) ----(BP exp) ----(MP exp) C=CCB(F)F -139.3PredN
FB(F)C1CC1273489.8798C3H5BF2cyclopropyldifluoroboraneN116FB(F)C1CC1InChI=1S/C3H5BF2/c5-4(6)3-1-2-3/h3H,1-2H2InChIKey=HJFAKXJMCMUIJZ-UHFFFAOYSA-N0.9Ex 0.94(BP est) -127.48(MP est) ----(BP exp) ----(MP exp) FB(F)C1CC1 -127.5PredN
FB(F)/C=C/C273589.8798C3H5BF2difluoro(prop-1-en-1-yl)boraneN116FB(F)/C=C/CInChI=1S/C3H5BF2/c1-2-3-4(5)6/h2-3H,1H3InChIKey=BDCHZLNKADXDQY-UHFFFAOYSA-N4.7Ex 4.73(BP est) -137.88(MP est) ----(BP exp) ----(MP exp) FB(F)/C=C/C -137.9PredN
OB(OC)OC273689.885C2H7BO3dimethyl hydrogen borateN136OB(OC)OCInChI=1S/C2H7BO3/c1-5-3(4)6-2/h4H,1-2H3InChIKey=CXVAUNIKYTWEFC-UHFFFAOYSA-N131.6Ex 131.55(BP est) -51.90(MP est) ----(BP exp) ----(MP exp) OB(OC)OC -51.9PredN
O=PC#CF273989.9932C2FOP(fluoroethynyl)(oxo)phosphaneN55O=PC#CFInChI=1S/C2FOP/c3-1-2-5-4InChIKey=PZRMLKKHJRCWQL-UHFFFAOYSA-N104.4Ex 104.37(BP est) -20.26(MP est) ----(BP exp) ----(MP exp) O=PC#CF -20.3PredN
O=P(C#C)O274090.0178C2H3O2Pethynylphosphinic acidN85O=P(C#C)OInChI=1S/C2H3O2P/c1-2-5(3)4/h1,5H,(H,3,4)InChIKey=MIQBCPGCMDWTHR-UHFFFAOYSA-N190.9Ex 190.89(BP est) -2.64(MP est) ----(BP exp) ----(MP exp) O=P(C#C)O -2.6PredN
C#CP(O)O274190.0178C2H3O2Pethynylphosphonous acidN85C#CP(O)OInChI=1S/C2H3O2P/c1-2-5(3)4/h1,3-4HInChIKey=OYIXVCVYLRXFIW-UHFFFAOYSA-N225.4Ex 225.38(BP est) 19.66(MP est) ----(BP exp) ----(MP exp) C#CP(O)O 19.7PredN
CC#CP(=O)([H])N2742103.061C3H6NOPP-(prop-1-yn-1-yl)phosphinic amideN85C(#N)P(N)OInChI=1S/C3H6NOP/c1-2-3-6(4)5/h6H,1H3,(H2,4,5)InChIKey=LBBPBIBXULJRQS-UHFFFAOYSA-N240.7Ex 240.66(BP est) 38.71(MP est) ----(BP exp) ----(MP exp) C(#N)P(N)O 38.7PredN
O=C(O)C(O)=O274390.034C2H2O4oxalic acidN86O=C(O)C(O)=OInChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)InChIKey=MUBZPKHOEPUJKR-UHFFFAOYSA-N269.5Ex 246.91(BP est) 62.97(MP est) ----(BP exp) 101.50(MP exp) O=C(O)C(O)=O 101.5ExptY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
PC(F)C#C274490.0372C3H4FP(1-fluoroprop-2-yn-1-yl)phosphaneN95PC(F)C#CInChI=1S/C3H4FP/c1-2-3(4)5/h1,3H,5H2InChIKey=VGUVPWQXORGKCD-UHFFFAOYSA-N55.8Ex 55.79(BP est) -83.37(MP est) ----(BP exp) ----(MP exp) PC(F)C#C -83.4PredN
PCC#CF274590.0372C3H4FP(3-fluoroprop-2-yn-1-yl)phosphaneN95PCC#CFInChI=1S/C3H4FP/c4-2-1-3-5/h3,5H2InChIKey=ZUMNOCJGBFAAOC-UHFFFAOYSA-N80.4Ex 80.38(BP est) -39.13(MP est) ----(BP exp) ----(MP exp) PCC#CF -39.1PredN
CPC#CF274690.0372C3H4FP(fluoroethynyl)(methyl)phosphaneN95CPC#CFInChI=1S/C3H4FP/c1-5-3-2-4/h5H,1H3InChIKey=ZJYJWFKXSMDGDX-UHFFFAOYSA-N58.8Ex 58.78(BP est) -53.62(MP est) ----(BP exp) ----(MP exp) CPC#CF -53.6PredN
FC1C=CP1274790.0372C3H4FP2-fluoro-1,2-dihydrophospheteN95FC1C=CP1InChI=1S/C3H4FP/c4-3-1-2-5-3/h1-3,5HInChIKey=RGXZEMBWZGMYTG-UHFFFAOYSA-N47.9Ex 47.90(BP est) -100.50(MP est) ----(BP exp) ----(MP exp) FC1C=CP1 -100.5PredN
FC1=CPC1274890.0372C3H4FP3-fluoro-1,2-dihydrophospheteN95FC1=CPC1InChI=1S/C3H4FP/c4-3-1-5-2-3/h1,5H,2H2InChIKey=AVZAEPNLSSMXSG-UHFFFAOYSA-N53.2Ex 53.17(BP est) -90.58(MP est) ----(BP exp) ----(MP exp) FC1=CPC1 -90.6PredN
FC1=CCP1274990.0372C3H4FP4-fluoro-1,2-dihydrophospheteN95FC1=CCP1InChI=1S/C3H4FP/c4-3-1-2-5-3/h1,5H,2H2InChIKey=RNLMOBZVGACRGD-UHFFFAOYSA-N53.2Ex 53.17(BP est) -90.58(MP est) ----(BP exp) ----(MP exp) FC1=CCP1 -90.6PredN
FCPC#C275090.0372C3H4FPethynyl(fluoromethyl)phosphaneN95FCPC#CInChI=1S/C3H4FP/c1-2-5-3-4/h1,5H,3H2InChIKey=RVPYDTCJBQVDBS-UHFFFAOYSA-N49.2Ex 49.19(BP est) -85.99(MP est) ----(BP exp) ----(MP exp) FCPC#C -86PredN
O=C(O)NN=O275190.038CH2N2O3nitrosocarbamic acidN86O=C(O)NN=OInChI=1S/CH2N2O3/c4-1(5)2-3-6/h(H,2,6)(H,4,5)InChIKey=DVBFAFMWCGVKDU-UHFFFAOYSA-N171.9Ex 171.90(BP est) 28.16(MP est) ----(BP exp) ----(MP exp) O=C(O)NN=O 28.2PredN
OC(=O)C(F)=C275290.0534C3H3FO22-fluoroacrylic acidN96OC(=O)C(F)=CInChI=1S/C3H3FO2/c1-2(4)3(5)6/h1H2,(H,5,6)InChIKey=TYCFGHUTYSLISP-UHFFFAOYSA-N139.4Ex 139.43(BP est) -18.18(MP est) ----(BP exp) ----(MP exp) OC(=O)C(F)=C -18.2PredN
OC(=O)C=C(F)275390.0534C3H3FO23-fluoroacrylic acidN96OC(=O)C=C(F)InChI=1S/C3H3FO2/c4-2-1-3(5)6/h1-2H,(H,5,6)InChIKey=VNBVGNOFNYFYIO-UHFFFAOYSA-N154.0Ex 153.98(BP est) -8.62(MP est) ----(BP exp) ----(MP exp) OC(=O)C=C(F) -8.6PredN
C1CPCO1275490.0618C3H7OP1,3-oxaphospholaneN125C1CPCO1InChI=1S/C3H7OP/c1-2-5-3-4-1/h5H,1-3H2InChIKey=IBSMYGZHQNYKPV-UHFFFAOYSA-N83.9Ex 83.85(BP est) -77.03(MP est) ----(BP exp) ----(MP exp) C1CPCO1 -77PredN
COP1CC1275590.0618C3H7OP1-methoxyphosphiraneN125COP1CC1InChI=1S/C3H7OP/c1-4-5-2-3-5/h2-3H2,1H3InChIKey=SHPGNHRAGCBHDY-UHFFFAOYSA-N74.6Ex 74.56(BP est) -79.08(MP est) ----(BP exp) ----(MP exp) COP1CC1 -79.1PredN
O=P1(C)CC1275690.0618C3H7OP1-methylphosphirane 1-oxideN125O=P1(C)CC1InChI=1S/C3H7OP/c1-5(4)2-3-5/h2-3H2,1H3InChIKey=JCCVXMVBVKSGLX-UHFFFAOYSA-N112.9Ex 112.93(BP est) -68.99(MP est) ----(BP exp) ----(MP exp) O=P1(C)CC1 -69PredN
C=CPOC275990.0618C3H7OPmethoxy(vinyl)phosphaneN125C=CPOCInChI=1S/C3H7OP/c1-3-5-4-2/h3,5H,1H2,2H3InChIKey=KRIAHJAJWYGSCA-UHFFFAOYSA-N62.4Ex 62.40(BP est) -95.67(MP est) ----(BP exp) ----(MP exp) C=CPOC -95.7PredN
O=P(C)C=C276090.0618C3H7OPmethyl(vinyl)phosphine oxideN125O=P(C)C=CInChI=1S/C3H7OP/c1-3-5(2)4/h3,5H,1H2,2H3InChIKey=YIUULECFVOJSME-UHFFFAOYSA-N104.6Ex 104.62(BP est) -76.96(MP est) ----(BP exp) ----(MP exp) O=P(C)C=C -77PredN
O=PCCC276190.0618C3H7OPoxo(propyl)phosphaneN125O=PCCCInChI=1S/C3H7OP/c1-2-3-5-4/h2-3H2,1H3InChIKey=NDDIKKNFARRUNI-UHFFFAOYSA-N108.6Ex 108.60(BP est) -66.74(MP est) ----(BP exp) ----(MP exp) O=PCCC -66.7PredN
O=P1CCC1276390.0618C3H7OPphosphetane 1-oxideN125O=P1CCC1InChI=1S/C3H7OP/c4-5-2-1-3-5/h5H,1-3H2InChIKey=KUUCKQLGHFKJJA-UHFFFAOYSA-N117.3Ex 117.25(BP est) -61.31(MP est) ----(BP exp) ----(MP exp) O=P1CCC1 -61.3PredN
C(F)(F)=C(C1)(C1)276490.0728C4H4F2(difluoromethylene)cyclopropaneN106C(F)(F)=C(C1)(C1)InChI=1S/C4H4F2/c5-4(6)3-1-2-3/h1-2H2InChIKey=KISFZKFADXZJFK-UHFFFAOYSA-N33.3Ex 33.34(BP est) -106.38(MP est) ----(BP exp) ----(MP exp) C(F)(F)=C(C1)(C1) -106.4PredN
FC(F)C1=CC1276590.0728C4H4F21-(difluoromethyl)cycloprop-1-eneN106FC(F)C1=CC1InChI=1S/C4H4F2/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=HAOBZRWCPRJYMT-UHFFFAOYSA-N22.2Ex 22.22(BP est) -108.69(MP est) ----(BP exp) ----(MP exp) FC(F)C1=CC1 -108.7PredN
C=C(C1)(C1(F)F)276690.0728C4H4F21,1-difluoro-2-methylenecyclopropaneN106C=C(C1)(C1(F)F)InChI=1S/C4H4F2/c1-3-2-4(3,5)6/h1-2H2InChIKey=LXYBTFPYXKJLAS-UHFFFAOYSA-N23.5Ex 8.46(BP est) -95.17(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C1(F)F) -95.2PredN
C(C)#C(C(F)F)276790.0728C4H4F21,1-difluorobut-2-yneN106C(C)#C(C(F)F)InChI=1S/C4H4F2/c1-2-3-4(5)6/h4H,1H3InChIKey=UXPGVKJJHOOZGZ-UHFFFAOYSA-N28.1Ex 28.06(BP est) -71.66(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(F)F) -71.7PredN
C=C(C=C(F)F)276890.0728C4H4F21,1-difluorobuta-1,3-dieneN106C=C(C=C(F)F)InChI=1S/C4H4F2/c1-2-3-4(5)6/h2-3H,1H2InChIKey=XWOKUHDOBJAMAL-UHFFFAOYSA-N3.8Ex 23.76(BP est) -128.86(MP est) ----(BP exp) ----(MP exp) C=C(C=C(F)F) -128.9PredN
FC(C1C)=C1F276990.0728C4H4F21,2-difluoro-3-methylcycloprop-1-eneN106FC(C1C)=C1FInChI=1S/C4H4F2/c1-2-3(5)4(2)6/h2H,1H3InChIKey=WDTBUGYIQDNLKT-UHFFFAOYSA-N28.3Ex 28.28(BP est) -95.28(MP est) ----(BP exp) ----(MP exp) FC(C1C)=C1F -95.3PredN
C=C(C1F)(C1F)277090.0728C4H4F21,2-difluoro-3-methylenecyclopropaneN106C=C(C1F)(C1F)InChI=1S/C4H4F2/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=ISIQJNPMECMEDN-UHFFFAOYSA-N14.9Ex 14.91(BP est) -107.36(MP est) ----(BP exp) ----(MP exp) C=C(C1F)(C1F) -107.4PredN
C=C(C(F)=CF)277190.0728C4H4F21,2-difluorobuta-1,3-dieneN106C=C(C(F)=CF)InChI=1S/C4H4F2/c1-2-4(6)3-5/h2-3H,1H2InChIKey=IRDNPJBRNZMWDK-UHFFFAOYSA-N23.8Ex 23.76(BP est) -128.86(MP est) ----(BP exp) ----(MP exp) C=C(C(F)=CF) -128.9PredN
C(C1)(C(F)=C1F)277290.0728C4H4F21,2-difluorocyclobut-1-eneN106C(C1)(C(F)=C1F)InChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-2H2InChIKey=MQRVASCABSTUJH-UHFFFAOYSA-N38.4Ex 38.35(BP est) -91.97(MP est) ----(BP exp) ----(MP exp) C(C1)(C(F)=C1F) -92PredN
FC(C1F)=C1C277390.0728C4H4F21,3-difluoro-2-methylcycloprop-1-eneN106FC(C1F)=C1CInChI=1S/C4H4F2/c1-2-3(5)4(2)6/h3H,1H3InChIKey=GOQLJTRDGZWEFQ-UHFFFAOYSA-N28.3Ex 28.28(BP est) -95.28(MP est) ----(BP exp) ----(MP exp) FC(C1F)=C1C -95.3PredN
FC1=CC1(C)F277490.0728C4H4F21,3-difluoro-3-methylcycloprop-1-eneN106FC1=CC1(C)FInChI=1S/C4H4F2/c1-4(6)2-3(4)5/h2H,1H3InChIKey=XIVJICGXLSULEJ-UHFFFAOYSA-N16.4Ex 16.44(BP est) -93.04(MP est) ----(BP exp) ----(MP exp) FC1=CC1(C)F -93PredN
C(C(F)C#CF)277590.0728C4H4F21,3-difluorobut-1-yneN106C(C(F)C#CF)InChI=1S/C4H4F2/c1-4(6)2-3-5/h4H,1H3InChIKey=ZZNMHCLWYSSQLN-UHFFFAOYSA-N28.1Ex 28.06(BP est) -71.66(MP est) ----(BP exp) ----(MP exp) C(C(F)C#CF) -71.7PredN
C=C(F)(C=CF)277690.0728C4H4F21,3-difluorobuta-1,3-dieneN106C=C(F)(C=CF)InChI=1S/C4H4F2/c1-4(6)2-3-5/h2-3H,1H2InChIKey=XKRNWHXQRIZRDQ-UHFFFAOYSA-N23.8Ex 23.76(BP est) -128.86(MP est) ----(BP exp) ----(MP exp) C=C(F)(C=CF) -128.9PredN
C(C1F)(C(F)=C1)277790.0728C4H4F21,3-difluorocyclobut-1-eneN106C(C1F)(C(F)=C1)InChI=1S/C4H4F2/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=JHCOMJBRIUNVGC-UHFFFAOYSA-N33.0Ex 32.98(BP est) -101.92(MP est) ----(BP exp) ----(MP exp) C(C1F)(C(F)=C1) -101.9PredN
C(F)(CC#CF)277890.0728C4H4F21,4-difluorobut-1-yneN106C(F)(CC#CF)InChI=1S/C4H4F2/c5-3-1-2-4-6/h1,3H2InChIKey=QXJKMESJYCBNCI-UHFFFAOYSA-N43.9Ex 43.92(BP est) -59.53(MP est) ----(BP exp) ----(MP exp) C(F)(CC#CF) -59.5PredN
C(CF)#C(CF)277990.0728C4H4F21,4-difluorobut-2-yneN106C(CF)#C(CF)InChI=1S/C4H4F2/c5-3-1-2-4-6/h3-4H2InChIKey=FVVVNCKGSNVGKQ-UHFFFAOYSA-N43.9Ex 43.92(BP est) -59.53(MP est) ----(BP exp) ----(MP exp) C(CF)#C(CF) -59.5PredN
C(F)=C(C=CF)278090.0728C4H4F21,4-difluorobuta-1,3-dieneN106C(F)=C(C=CF)InChI=1S/C4H4F2/c5-3-1-2-4-6/h1-4HInChIKey=RXJPYUWYMSTJKF-UHFFFAOYSA-N41.1Ex 41.10(BP est) -118.48(MP est) ----(BP exp) ----(MP exp) C(F)=C(C=CF) -118.5PredN
C(C1F)(C=C1F)278190.0728C4H4F21,4-difluorocyclobut-1-eneN106C(C1F)(C=C1F)InChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=HWRCZPOITLFWKY-UHFFFAOYSA-N33.0Ex 32.98(BP est) -101.92(MP est) ----(BP exp) ----(MP exp) C(C1F)(C=C1F) -101.9PredN
FC(C1)=C1CF278290.0728C4H4F21-fluoro-2-(fluoromethyl)cycloprop-1-eneN106FC(C1)=C1CFInChI=1S/C4H4F2/c5-2-3-1-4(3)6/h1-2H2InChIKey=IHZOIUNPCPIWPI-UHFFFAOYSA-N35.9Ex 35.94(BP est) -90.92(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1CF -90.9PredN
C(F)=C(C1)(C1F)278390.0728C4H4F21-fluoro-2-(fluoromethylene)cyclopropaneN106C(F)=C(C1)(C1F)InChI=1S/C4H4F2/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=MDFSNNGJRVUFRW-UHFFFAOYSA-N32.9Ex 32.90(BP est) -101.65(MP est) ----(BP exp) ----(MP exp) C(F)=C(C1)(C1F) -101.7PredN
FC1=CC1CF278490.0728C4H4F21-fluoro-3-(fluoromethyl)cycloprop-1-eneN106FC1=CC1CFInChI=1S/C4H4F2/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=SBRZLYVGRSYSDR-UHFFFAOYSA-N30.6Ex 30.56(BP est) -100.87(MP est) ----(BP exp) ----(MP exp) FC1=CC1CF -100.9PredN
C=C(F)(C(F)=C)278590.0728C4H4F22,3-difluorobuta-1,3-dieneN106C=C(F)(C(F)=C)InChI=1S/C4H4F2/c1-3(5)4(2)6/h1-2H2InChIKey=XQQOMTYXDIGHNA-UHFFFAOYSA-N6.0Ex 6.04(BP est) -139.36(MP est) ----(BP exp) ----(MP exp) C=C(F)(C(F)=C) -139.4PredN
FC(F)C1C=C1278690.0728C4H4F23-(difluoromethyl)cycloprop-1-eneN106FC(F)C1C=C1InChI=1S/C4H4F2/c5-4(6)3-1-2-3/h1-4HInChIKey=WRRGGEPOWYNGLI-UHFFFAOYSA-N16.7Ex 16.73(BP est) -118.67(MP est) ----(BP exp) ----(MP exp) FC(F)C1C=C1 -118.7PredN
CC1=CC1(F)F278790.0728C4H4F23,3-difluoro-1-methylcycloprop-1-eneN106CC1=CC1(F)FInChI=1S/C4H4F2/c1-3-2-4(3,5)6/h2H,1H3InChIKey=PXHCTWSVUJBWHI-UHFFFAOYSA-N16.4Ex 16.44(BP est) -93.04(MP est) ----(BP exp) ----(MP exp) CC1=CC1(F)F -93PredN
C(C(F)(F)C#C)278890.0728C4H4F23,3-difluorobut-1-yneN106C(C(F)(F)C#C)InChI=1S/C4H4F2/c1-3-4(2,5)6/h1H,2H3InChIKey=XOIBTCPNPUOEDD-UHFFFAOYSA-N7.3Ex 7.32(BP est) -98.57(MP est) ----(BP exp) ----(MP exp) C(C(F)(F)C#C) -98.6PredN
C(C1(F)F)(C=C1)278990.0728C4H4F23,3-difluorocyclobut-1-eneN106C(C1(F)F)(C=C1)InChI=1S/C4H4F2/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=KCPCLQOVOPHVPF-UHFFFAOYSA-N21.2Ex 21.22(BP est) -99.67(MP est) ----(BP exp) ----(MP exp) C(C1(F)F)(C=C1) -99.7PredN
C(F)(C(F)C#C)279090.0728C4H4F23,4-difluorobut-1-yneN106C(F)(C(F)C#C)InChI=1S/C4H4F2/c1-2-4(6)3-5/h1,4H,3H2InChIKey=DOLWCFINXZHNIT-UHFFFAOYSA-N18.1Ex 18.07(BP est) -104.14(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)C#C) -104.1PredN
C(F)(C1F)(C=C1)279190.0728C4H4F23,4-difluorocyclobut-1-eneN106C(F)(C1F)(C=C1)InChI=1S/C4H4F2/c5-3-1-2-4(3)6/h1-4HInChIKey=FMZQAHWLKIRBNV-UHFFFAOYSA-N27.6Ex 27.57(BP est) -111.88(MP est) ----(BP exp) ----(MP exp) C(F)(C1F)(C=C1) -111.9PredN
FCC1=CC1F279290.0728C4H4F23-fluoro-1-(fluoromethyl)cycloprop-1-eneN106FCC1=CC1FInChI=1S/C4H4F2/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=MMVQHVISEDPWDN-UHFFFAOYSA-N30.6Ex 30.56(BP est) -100.87(MP est) ----(BP exp) ----(MP exp) FCC1=CC1F -100.9PredN
FC1(CF)C=C1279390.0728C4H4F23-fluoro-3-(fluoromethyl)cycloprop-1-eneN106FC1(CF)C=C1InChI=1S/C4H4F2/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=VAGHRMQGHWFIFF-UHFFFAOYSA-N18.8Ex 18.76(BP est) -98.63(MP est) ----(BP exp) ----(MP exp) FC1(CF)C=C1 -98.6PredN
C(F)(F)(CC#C)279490.0728C4H4F24,4-difluorobut-1-yneN106C(F)(F)(CC#C)InChI=1S/C4H4F2/c1-2-3-4(5)6/h1,4H,3H2InChIKey=NUOFQQNKHOZBEC-UHFFFAOYSA-N18.1Ex 18.07(BP est) -104.14(MP est) ----(BP exp) ----(MP exp) C(F)(F)(CC#C) -104.1PredN
O1COCOC1279590.078C3H6O31,3,5-trioxaneN126O1COCOC1InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2InChIKey=BGJSXRVXTHVRSN-UHFFFAOYSA-N114.2Ex 109.20(BP est) -54.08(MP est) 114.50(BP exp) 60.20(MP exp) O1COCOC1 60.2ExptY(de Lacy Costello et al. 2014)
OCC(CO)=O279690.078C3H6O31,3-dihydroxypropan-2-oneN126OCC(CO)=OInChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2InChIKey=RXKJFZQQPQGTFL-UHFFFAOYSA-N214.3Ex 214.33(BP est) 16.73(MP est) ----(BP exp) 90.00(MP exp) OCC(CO)=O 90ExptY(Irwin et al. 2012, DNP 2017)
O[C@](CO)(C=O)[H]279790.078C3H6O32,3-dihydroxypropanalN126O[C@](CO)(C=O)[H]InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2InChIKey=MNQZXJOMYWMBOU-UHFFFAOYSA-N207.6Ex 207.64(BP est) 3.32(MP est) ----(BP exp) 145.00(MP exp) O[C@](CO)(C=O)[H] 145ExptY(Irwin et al. 2012, ExPaSy 2015)
OC(C)C(O)=O279890.078C3H6O32-hydroxypropanoic acidN126OC(C)C(O)=OInChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)InChIKey=JVTAAEKCZFNVCJ-UHFFFAOYSA-N209.1Ex 204.20(BP est) 22.66(MP est) ----(BP exp) 52.80(MP exp) OC(C)C(O)=O 52.8ExptY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
O=C(O)COC279990.078C3H6O32-methoxyacetic acidN126O=C(O)COCInChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)InChIKey=RMIODHQZRUFFFF-UHFFFAOYSA-N202.8Ex 167.66(BP est) 8.74(MP est) 203.50(BP exp) 7.70(MP exp) O=C(O)COC 7.7ExptN
OCCC(O)=O280090.078C3H6O33-hydroxypropanoic acidN126OCCC(O)=OInChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)InChIKey=ALRHLSYJTWAHJZ-UHFFFAOYSA-N222.1Ex 222.07(BP est) 34.61(MP est) ----(BP exp) ----(MP exp) OCCC(O)=O 34.6PredY(Irwin et al. 2012, ExPaSy 2015)
O=C(OC)OC280190.078C3H6O3dimethyl carbonateN126O=C(OC)OCInChI=1S/C3H6O3/c1-5-3(4)6-2/h1-2H3InChIKey=IEJIGPNLZYLLBP-UHFFFAOYSA-N90.0Ex 97.75(BP est) -120.12(MP est) 90.50(BP exp) 3.00(MP exp) O=C(OC)OC 3ExptY(de Lacy Costello et al. 2014)
OCC(OC)=O280290.078C3H6O3methyl 2-hydroxyacetateN126OCC(OC)=OInChI=1S/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3InChIKey=GSJFXBNYJCXDGI-UHFFFAOYSA-N151.0Ex 142.70(BP est) -38.39(MP est) ----(BP exp) ----(MP exp) OCC(OC)=O -38.4PredN
CONC(N)=O280390.082C2H6N2O21-methoxyureaN126CONC(N)=OInChI=1S/C2H6N2O2/c1-6-4-2(3)5/h1H3,(H3,3,4,5)InChIKey=JOHLTMWXHJLNDE-UHFFFAOYSA-N198.7Ex 198.65(BP est) 25.86(MP est) ----(BP exp) ----(MP exp) CONC(N)=O 25.9PredN
[O-]/[N+](C([H])([H])[H])=N\C([H])([H])O[H]280490.082C2H6N2O22-(hydroxymethyl)-1-methyldiazene 1-oxideN126[O-]/[N+](C([H])([H])[H])=N\C([H])([H])O[H]InChI=1S/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3InChIKey=BJNBRIBHKLJMAG-UHFFFAOYSA-N346.9Ex 346.90(BP est) 126.66(MP est) ----(BP exp) ----(MP exp) [O-]/[N+](C([H])([H])[H])=N\C([H])([H])O[H] 126.7PredY(Irwin et al. 2012, DNP 2017)
NCC(O)N=O280590.082C2H6N2O22-amino-1-nitrosoethan-1-olN126NCC(O)N=OInChI=1S/C2H6N2O2/c3-1-2(5)4-6/h2,5H,1,3H2InChIKey=YHGPGVWNJCGICH-UHFFFAOYSA-N139.1Ex 139.08(BP est) 23.57(MP est) ----(BP exp) ----(MP exp) NCC(O)N=O 23.6PredN
NC(CO)N=O280690.082C2H6N2O22-amino-2-nitrosoethan-1-olN126NC(CO)N=OInChI=1S/C2H6N2O2/c3-2(1-5)4-6/h2,5H,1,3H2InChIKey=GYVMWBOFLDBUMB-UHFFFAOYSA-N146.3Ex 146.31(BP est) 25.68(MP est) ----(BP exp) ----(MP exp) NC(CO)N=O 25.7PredN
ONC(CN)=O280790.082C2H6N2O22-amino-N-hydroxyacetamideN126ONC(CN)=OInChI=1S/C2H6N2O2/c3-1-2(5)4-6/h6H,1,3H2,(H,4,5)InChIKey=VDBCTDQYMZSQFQ-UHFFFAOYSA-N299.0Ex 299.01(BP est) 94.94(MP est) ----(BP exp) ----(MP exp) ONC(CN)=O 94.9PredN
NNC(CO)=O280890.082C2H6N2O22-hydroxyacetohydrazideN126NNC(CO)=OInChI=1S/C2H6N2O2/c3-4-2(6)1-5/h5H,1,3H2,(H,4,6)InChIKey=LIUCWHQVLKSECA-UHFFFAOYSA-N287.9Ex 287.93(BP est) 90.08(MP est) ----(BP exp) ----(MP exp) NNC(CO)=O 90.1PredN
NNC(OC)=O280990.082C2H6N2O2methyl hydrazinecarboxylateN126NNC(OC)=OInChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)InChIKey=WFJRIDQGVSJLLH-UHFFFAOYSA-N137.7Ex 137.67(BP est) -7.94(MP est) ----(BP exp) 73.00(MP exp) NNC(OC)=O 73ExptN
NNC(NN)=O281090.086CH6N4OhydrazinecarbohydrazideN126NNC(NN)=OInChI=1S/CH6N4O/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)InChIKey=XEVRDFDBXJMZFG-UHFFFAOYSA-N253.7Ex 253.69(BP est) 77.88(MP est) ----(BP exp) 154.00(MP exp) NNC(NN)=O 154ExptN
C(=N)(NN)NO281190.086CH6N4ON-hydroxyhydrazinecarboximidamideN126C(=N)(NN)NOInChI=1S/CH6N4O/c2-1(4-3)5-6/h6H,3H2,(H3,2,4,5)InChIKey=MYYGWTHTRXMJJX-UHFFFAOYSA-N258.5Ex 258.47(BP est) 64.45(MP est) ----(BP exp) ----(MP exp) C(=N)(NN)NO 64.5PredN
O=S(=O)=C=C281290.096C2H2O2SsulfonyletheneN75O=S(=O)=C=CInChI=1S/C2H2O2S/c1-2-5(3)4/h1H2InChIKey=QCFGXOUBDVCCJU-UHFFFAOYSA-N143.3Ex 143.31(BP est) -8.59(MP est) ----(BP exp) ----(MP exp) O=S(=O)=C=C -8.6PredN
OCC(F)(C1)(C1)281390.0974C4H7FO(1-fluorocyclopropyl)methanolN136OCC(F)(C1)(C1)InChI=1S/C4H7FO/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=UFEYSMRZZLYOCP-UHFFFAOYSA-N107.8Ex 107.78(BP est) -42.90(MP est) ----(BP exp) ----(MP exp) OCC(F)(C1)(C1) -42.9PredN
C(F)(C)OC=C281490.0974C4H7FO(1-fluoroethoxy)etheneN136C(F)(C)OC=CInChI=1S/C4H7FO/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=HMCTUNDEXZQZOT-UHFFFAOYSA-N31.8Ex 31.82(BP est) -113.67(MP est) ----(BP exp) ----(MP exp) C(F)(C)OC=C -113.7PredN
OCC(C1)(C1F)281590.0974C4H7FO(2-fluorocyclopropyl)methanolN136OCC(C1)(C1F)InChI=1S/C4H7FO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=ZRQVQDAWPHHSMU-UHFFFAOYSA-N113.4Ex 113.39(BP est) -55.33(MP est) ----(BP exp) ----(MP exp) OCC(C1)(C1F) -55.3PredN
C(CF)OC=C281690.0974C4H7FO(2-fluoroethoxy)etheneN136C(CF)OC=CInChI=1S/C4H7FO/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=FPFVPEGEWVRCGK-UHFFFAOYSA-N47.6Ex 47.62(BP est) -101.56(MP est) ----(BP exp) ----(MP exp) C(CF)OC=C -101.6PredN
C(F)OC(C1)(C1)281790.0974C4H7FO(fluoromethoxy)cyclopropaneN136C(F)OC(C1)(C1)InChI=1S/C4H7FO/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=HZFXUVBNAHRFEB-UHFFFAOYSA-N53.9Ex 53.93(BP est) -89.86(MP est) ----(BP exp) ----(MP exp) C(F)OC(C1)(C1) -89.9PredN
C(F)OC=C(C)281890.0974C4H7FO1-(fluoromethoxy)prop-1-eneN136C(F)OC=C(C)InChI=1S/C4H7FO/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=BJINQYZSZRTVSQ-UHFFFAOYSA-N57.5Ex 57.47(BP est) -100.34(MP est) ----(BP exp) ----(MP exp) C(F)OC=C(C) -100.3PredN
OC(CF)(C1)(C1)281990.0974C4H7FO1-(fluoromethyl)cyclopropan-1-olN136OC(CF)(C1)(C1)InChI=1S/C4H7FO/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=DRWLYLKWOQDKBW-UHFFFAOYSA-N88.7Ex 88.74(BP est) -48.46(MP est) ----(BP exp) ----(MP exp) OC(CF)(C1)(C1) -48.5PredN
C(C)OC(F)=C282090.0974C4H7FO1-ethoxy-1-fluoroetheneN136C(C)OC(F)=CInChI=1S/C4H7FO/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=PSCHHTSNWJINGZ-UHFFFAOYSA-N40.5Ex 40.51(BP est) -110.61(MP est) ----(BP exp) ----(MP exp) C(C)OC(F)=C -110.6PredN
C(C)OC=C(F)282190.0974C4H7FO1-ethoxy-2-fluoroetheneN136C(C)OC=C(F)InChI=1S/C4H7FO/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=BAYBQEHWCABAGR-UHFFFAOYSA-N57.5Ex 57.47(BP est) -100.34(MP est) ----(BP exp) ----(MP exp) C(C)OC=C(F) -100.3PredN
COC(F)(C1)(C1)282290.0974C4H7FO1-fluoro-1-methoxycyclopropaneN136COC(F)(C1)(C1)InChI=1S/C4H7FO/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=NHZMMVAHARRWNK-UHFFFAOYSA-N40.3Ex 40.25(BP est) -81.91(MP est) ----(BP exp) ----(MP exp) COC(F)(C1)(C1) -81.9PredN
COC(F)=C(C)282390.0974C4H7FO1-fluoro-1-methoxyprop-1-eneN136COC(F)=C(C)InChI=1S/C4H7FO/c1-3-4(5)6-2/h3H,1-2H3InChIKey=VRAIILBFEWXFKY-UHFFFAOYSA-N50.5Ex 50.46(BP est) -109.37(MP est) ----(BP exp) ----(MP exp) COC(F)=C(C) -109.4PredN
COC(C1)(C1F)282490.0974C4H7FO1-fluoro-2-methoxycyclopropaneN136COC(C1)(C1F)InChI=1S/C4H7FO/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=CPBKNVCXFOUZFI-UHFFFAOYSA-N46.5Ex 46.45(BP est) -94.17(MP est) ----(BP exp) ----(MP exp) COC(C1)(C1F) -94.2PredN
COC(C)=C(F)282590.0974C4H7FO1-fluoro-2-methoxyprop-1-eneN136COC(C)=C(F)InChI=1S/C4H7FO/c1-4(3-5)6-2/h3H,1-2H3InChIKey=IYADRAFBCCMKLU-UHFFFAOYSA-N50.5Ex 50.46(BP est) -109.37(MP est) ----(BP exp) ----(MP exp) COC(C)=C(F) -109.4PredN
COC(C=CF)282690.0974C4H7FO1-fluoro-3-methoxyprop-1-eneN136COC(C=CF)InChI=1S/C4H7FO/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=SNCQRRSMOBKOJC-UHFFFAOYSA-N57.5Ex 57.47(BP est) -100.34(MP est) ----(BP exp) ----(MP exp) COC(C=CF) -100.3PredN
OC(F)(CC=C)282790.0974C4H7FO1-fluorobut-3-en-1-olN136OC(F)(CC=C)InChI=1S/C4H7FO/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=NRSUNFMACOVQBY-UHFFFAOYSA-N92.3Ex 92.32(BP est) -76.71(MP est) ----(BP exp) ----(MP exp) OC(F)(CC=C) -76.7PredN
OC(CF)(C=C)282890.0974C4H7FO1-fluorobut-3-en-2-olN136OC(CF)(C=C)InChI=1S/C4H7FO/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=LXKVRSCRNWIJPR-UHFFFAOYSA-N92.3Ex 92.32(BP est) -76.71(MP est) ----(BP exp) ----(MP exp) OC(CF)(C=C) -76.7PredN
C(F)C(=O)C(C)282990.0974C4H7FO1-fluorobutan-2-oneN136C(F)C(=O)C(C)InChI=1S/C4H7FO/c1-2-4(6)3-5/h2-3H2,1H3InChIKey=FHNBVEYDTSGFGE-UHFFFAOYSA-N72.8Ex 72.82(BP est) -79.47(MP est) ----(BP exp) ----(MP exp) C(F)C(=O)C(C) -79.5PredN
OC(F)(C1)(CC1)283090.0974C4H7FO1-fluorocyclobutan-1-olN136OC(F)(C1)(CC1)InChI=1S/C4H7FO/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=RVXYEUMHULXHEM-UHFFFAOYSA-N91.0Ex 90.98(BP est) -49.57(MP est) ----(BP exp) ----(MP exp) OC(F)(C1)(CC1) -49.6PredN
FC(C)C1CO1283190.0974C4H7FO2-(1-fluoroethyl)oxiraneN136FC(C)C1CO1InChI=1S/C4H7FO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=SFYPZBAGHUZBTH-UHFFFAOYSA-N44.3Ex 44.32(BP est) -98.00(MP est) ----(BP exp) ----(MP exp) FC(C)C1CO1 -98PredN
FCCC1CO1283290.0974C4H7FO2-(2-fluoroethyl)oxiraneN136FCCC1CO1InChI=1S/C4H7FO/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=MDPSBWDPRCYNMQ-UHFFFAOYSA-N59.9Ex 59.85(BP est) -85.97(MP est) ----(BP exp) ----(MP exp) FCCC1CO1 -86PredN
C(F)OC(C)=C283390.0974C4H7FO2-(fluoromethoxy)prop-1-eneN136C(F)OC(C)=CInChI=1S/C4H7FO/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=KUKBGRPOSPEJRB-UHFFFAOYSA-N40.5Ex 40.51(BP est) -110.61(MP est) ----(BP exp) ----(MP exp) C(F)OC(C)=C -110.6PredN
CC1(CF)CO1283490.0974C4H7FO2-(fluoromethyl)-2-methyloxiraneN136CC1(CF)CO1InChI=1S/C4H7FO/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=WGGMXYOVJGMBDC-UHFFFAOYSA-N46.3Ex 46.28(BP est) -77.98(MP est) ----(BP exp) ----(MP exp) CC1(CF)CO1 -78PredN
CC1C(CF)O1283590.0974C4H7FO2-(fluoromethyl)-3-methyloxiraneN136CC1C(CF)O1InChI=1S/C4H7FO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=SSSDNSPUNGBEKR-UHFFFAOYSA-N52.4Ex 52.43(BP est) -90.25(MP est) ----(BP exp) ----(MP exp) CC1C(CF)O1 -90.3PredN
FCC1OCC1283690.0974C4H7FO2-(fluoromethyl)oxetaneN136FCC1OCC1InChI=1S/C4H7FO/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=SPXSVPZPJGGYOR-UHFFFAOYSA-N62.2Ex 62.19(BP est) -87.05(MP est) ----(BP exp) ----(MP exp) FCC1OCC1 -87.1PredN
FC1(CC)CO1283790.0974C4H7FO2-ethyl-2-fluorooxiraneN136FC1(CC)CO1InChI=1S/C4H7FO/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=UMXVOPKATSKFMQ-UHFFFAOYSA-N46.3Ex 46.28(BP est) -77.98(MP est) ----(BP exp) ----(MP exp) FC1(CC)CO1 -78PredN
FC1C(CC)O1283890.0974C4H7FO2-ethyl-3-fluorooxiraneN136FC1C(CC)O1InChI=1S/C4H7FO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=QHXQHFVRVKNWTR-UHFFFAOYSA-N52.4Ex 52.43(BP est) -90.25(MP est) ----(BP exp) ----(MP exp) FC1C(CC)O1 -90.3PredN
COC=C(F)(C)283990.0974C4H7FO2-fluoro-1-methoxyprop-1-eneN136COC=C(F)(C)InChI=1S/C4H7FO/c1-4(5)3-6-2/h3H,1-2H3InChIKey=IEDPLNYTCIYZAV-UHFFFAOYSA-N50.5Ex 50.46(BP est) -109.37(MP est) ----(BP exp) ----(MP exp) COC=C(F)(C) -109.4PredN
OC(C)(C1)(C1F)284090.0974C4H7FO2-fluoro-1-methylcyclopropan-1-olN136OC(C)(C1)(C1F)InChI=1S/C4H7FO/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=KDOAYBFIOLUFRR-UHFFFAOYSA-N81.6Ex 81.62(BP est) -52.66(MP est) ----(BP exp) ----(MP exp) OC(C)(C1)(C1F) -52.7PredN
CC1C(F)(C)O1284190.0974C4H7FO2-fluoro-2,3-dimethyloxiraneN136CC1C(F)(C)O1InChI=1S/C4H7FO/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=RPFAKEHUGPHBAV-UHFFFAOYSA-N38.7Ex 38.71(BP est) -82.31(MP est) ----(BP exp) ----(MP exp) CC1C(F)(C)O1 -82.3PredN
FC1(C)OCC1284290.0974C4H7FO2-fluoro-2-methyloxetaneN136FC1(C)OCC1InChI=1S/C4H7FO/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=XLACHCSGRCHUOM-UHFFFAOYSA-N48.7Ex 48.65(BP est) -79.05(MP est) ----(BP exp) ----(MP exp) FC1(C)OCC1 -79.1PredN
C(=O)C(F)(C)(C)284390.0974C4H7FO2-fluoro-2-methylpropanalN136C(=O)C(F)(C)(C)InChI=1S/C4H7FO/c1-4(2,5)3-6/h3H,1-2H3InChIKey=GLXZRTVCHHTNIY-UHFFFAOYSA-N62.3Ex 62.29(BP est) -85.30(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(C)(C) -85.3PredN
COC(C(F)=C)284490.0974C4H7FO2-fluoro-3-methoxyprop-1-eneN136COC(C(F)=C)InChI=1S/C4H7FO/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=KYLFVNDJHITVLU-UHFFFAOYSA-N40.5Ex 40.51(BP est) -110.61(MP est) ----(BP exp) ----(MP exp) COC(C(F)=C) -110.6PredN
FC1OCC1C284590.0974C4H7FO2-fluoro-3-methyloxetaneN136FC1OCC1CInChI=1S/C4H7FO/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=YPDGAEIEVOIKQV-UHFFFAOYSA-N54.8Ex 54.78(BP est) -91.33(MP est) ----(BP exp) ----(MP exp) FC1OCC1C -91.3PredN
FC1CC(C)O1284690.0974C4H7FO2-fluoro-4-methyloxetaneN136FC1CC(C)O1InChI=1S/C4H7FO/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=SEKWUILWNVLNSK-UHFFFAOYSA-N54.8Ex 54.78(BP est) -91.33(MP est) ----(BP exp) ----(MP exp) FC1CC(C)O1 -91.3PredN
OC(C(F)C=C)284790.0974C4H7FO2-fluorobut-3-en-1-olN136OC(C(F)C=C)InChI=1S/C4H7FO/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=BVGFHDJXKIXOAJ-UHFFFAOYSA-N100.1Ex 100.14(BP est) -74.43(MP est) ----(BP exp) ----(MP exp) OC(C(F)C=C) -74.4PredN
OC(F)(C)(C=C)284890.0974C4H7FO2-fluorobut-3-en-2-olN136OC(F)(C)(C=C)InChI=1S/C4H7FO/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=LBTCYQOPXPECFW-UHFFFAOYSA-N71.0Ex 71.00(BP est) -74.23(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(C=C) -74.2PredN
C(=O)C(F)(CC)284990.0974C4H7FO2-fluorobutanalN136C(=O)C(F)(CC)InChI=1S/C4H7FO/c1-2-4(5)3-6/h3-4H,2H2,1H3InChIKey=NJNZFAYODVNZSC-UHFFFAOYSA-N92.0Ex 72.29(BP est) -91.09(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(CC) -91.1PredN
OC(C1)(C(F)C1)285090.0974C4H7FO2-fluorocyclobutan-1-olN136OC(C1)(C(F)C1)InChI=1S/C4H7FO/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=NRJPDTSRPYWKAA-UHFFFAOYSA-N107.9Ex 107.92(BP est) -58.69(MP est) ----(BP exp) ----(MP exp) OC(C1)(C(F)C1) -58.7PredN
C(C1)OC(F)(C1)285190.0974C4H7FO2-fluorotetrahydrofuranN136C(C1)OC(F)(C1)InChI=1S/C4H7FO/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=ZNWLSMNYGTZECE-UHFFFAOYSA-N64.5Ex 64.51(BP est) -88.13(MP est) ----(BP exp) ----(MP exp) C(C1)OC(F)(C1) -88.1PredN
C(F)OC(C=C)285290.0974C4H7FO3-(fluoromethoxy)prop-1-eneN136C(F)OC(C=C)InChI=1S/C4H7FO/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=CXRRITMLRJQMCH-UHFFFAOYSA-N47.6Ex 47.62(BP est) -101.56(MP est) ----(BP exp) ----(MP exp) C(F)OC(C=C) -101.6PredN
FCC1COC1285390.0974C4H7FO3-(fluoromethyl)oxetaneN136FCC1COC1InChI=1S/C4H7FO/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=VMUYRXLDLPVAPH-UHFFFAOYSA-N62.2Ex 62.19(BP est) -87.05(MP est) ----(BP exp) ----(MP exp) FCC1COC1 -87.1PredN
COC=C(CF)285490.0974C4H7FO3-fluoro-1-methoxyprop-1-eneN136COC=C(CF)InChI=1S/C4H7FO/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=GJYSLLUMHGXQSV-UHFFFAOYSA-N57.5Ex 57.47(BP est) -100.34(MP est) ----(BP exp) ----(MP exp) COC=C(CF) -100.3PredN
FC1C(C)(C)O1285590.0974C4H7FO3-fluoro-2,2-dimethyloxiraneN136FC1C(C)(C)O1InChI=1S/C4H7FO/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=SCTCCDHOQOIQSM-UHFFFAOYSA-N38.7Ex 38.71(BP est) -82.31(MP est) ----(BP exp) ----(MP exp) FC1C(C)(C)O1 -82.3PredN
COC(CF)=C285690.0974C4H7FO3-fluoro-2-methoxyprop-1-eneN136COC(CF)=CInChI=1S/C4H7FO/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=SPEKULPBTHIVCT-UHFFFAOYSA-N40.5Ex 40.51(BP est) -110.61(MP est) ----(BP exp) ----(MP exp) COC(CF)=C -110.6PredN
CC1OCC1F285790.0974C4H7FO3-fluoro-2-methyloxetaneN136CC1OCC1FInChI=1S/C4H7FO/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=DBCLVXQNQOCWNV-UHFFFAOYSA-N54.8Ex 54.78(BP est) -91.33(MP est) ----(BP exp) ----(MP exp) CC1OCC1F -91.3PredN
C(=O)C(C)(CF)285890.0974C4H7FO3-fluoro-2-methylpropanalN136C(=O)C(C)(CF)InChI=1S/C4H7FO/c1-4(2-5)3-6/h3-4H,2H2,1H3InChIKey=FGSQNGXPFOBJRZ-UHFFFAOYSA-N72.3Ex 72.29(BP est) -91.09(MP est) ----(BP exp) ----(MP exp) C(=O)C(C)(CF) -91.1PredN
COC(F)(C=C)285990.0974C4H7FO3-fluoro-3-methoxyprop-1-eneN136COC(F)(C=C)InChI=1S/C4H7FO/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=OLRYHMGTPRJJPQ-UHFFFAOYSA-N31.8Ex 31.82(BP est) -113.67(MP est) ----(BP exp) ----(MP exp) COC(F)(C=C) -113.7PredN
FC1(C)COC1286090.0974C4H7FO3-fluoro-3-methyloxetaneN136FC1(C)COC1InChI=1S/C4H7FO/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=WKGSLRIXTZADGQ-UHFFFAOYSA-N48.7Ex 48.65(BP est) -79.05(MP est) ----(BP exp) ----(MP exp) FC1(C)COC1 -79.1PredN
OC(CC(F)=C)286190.0974C4H7FO3-fluorobut-3-en-1-olN136OC(CC(F)=C)InChI=1S/C4H7FO/c1-4(5)2-3-6/h6H,1-3H2InChIKey=PSFNCYUGFYPKSV-UHFFFAOYSA-N108.0Ex 108.01(BP est) -71.61(MP est) ----(BP exp) ----(MP exp) OC(CC(F)=C) -71.6PredN
OC(C)(C(F)=C)286290.0974C4H7FO3-fluorobut-3-en-2-olN136OC(C)(C(F)=C)InChI=1S/C4H7FO/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=MNKDWEKGHCYKOC-UHFFFAOYSA-N85.7Ex 85.65(BP est) -85.64(MP est) ----(BP exp) ----(MP exp) OC(C)(C(F)=C) -85.6PredN
CC(=O)C(F)(C)286390.0974C4H7FO3-fluorobutan-2-oneN136CC(=O)C(F)(C)InChI=1S/C4H7FO/c1-3(5)4(2)6/h3H,1-2H3InChIKey=LJOQCXPELWJBRK-UHFFFAOYSA-N57.6Ex 57.57(BP est) -91.42(MP est) ----(BP exp) ----(MP exp) CC(=O)C(F)(C) -91.4PredN
C(=O)C(C(F)C)286490.0974C4H7FO3-fluorobutanalN136C(=O)C(C(F)C)InChI=1S/C4H7FO/c1-4(5)2-3-6/h3-4H,2H2,1H3InChIKey=HIVQUNZRZVIVAF-UHFFFAOYSA-N72.3Ex 72.29(BP est) -91.09(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(F)C) -91.1PredN
OC(C1)(CC1F)286590.0974C4H7FO3-fluorocyclobutan-1-olN136OC(C1)(CC1F)InChI=1S/C4H7FO/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=GSESEWCACAKURA-UHFFFAOYSA-N107.9Ex 107.92(BP est) -58.69(MP est) ----(BP exp) ----(MP exp) OC(C1)(CC1F) -58.7PredN
C(C1)OC(C1F)286690.0974C4H7FO3-fluorotetrahydrofuranN136C(C1)OC(C1F)InChI=1S/C4H7FO/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=ZYGLLHJTMNMFJS-UHFFFAOYSA-N64.5Ex 64.51(BP est) -88.13(MP est) ----(BP exp) ----(MP exp) C(C1)OC(C1F) -88.1PredN
OC(CC=CF)286790.0974C4H7FO4-fluorobut-3-en-1-olN136OC(CC=CF)InChI=1S/C4H7FO/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=LRGCVFZRBYKSLO-UHFFFAOYSA-N123.4Ex 123.37(BP est) -61.81(MP est) ----(BP exp) ----(MP exp) OC(CC=CF) -61.8PredN
OC(C)(C=CF)286890.0974C4H7FO4-fluorobut-3-en-2-olN136OC(C)(C=CF)InChI=1S/C4H7FO/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=DNISHIMBADPTMN-UHFFFAOYSA-N101.6Ex 101.56(BP est) -75.67(MP est) ----(BP exp) ----(MP exp) OC(C)(C=CF) -75.7PredN
CC(=O)C(CF)286990.0974C4H7FO4-fluorobutan-2-oneN136CC(=O)C(CF)InChI=1S/C4H7FO/c1-4(6)2-3-5/h2-3H2,1H3InChIKey=JLBBYMYIYLJFFN-UHFFFAOYSA-N72.8Ex 72.82(BP est) -79.47(MP est) ----(BP exp) ----(MP exp) CC(=O)C(CF) -79.5PredN
C(=O)C(CCF)287090.0974C4H7FO4-fluorobutanalN136C(=O)C(CCF)InChI=1S/C4H7FO/c5-3-1-2-4-6/h4H,1-3H2InChIKey=FYLHRUFFEZANKX-UHFFFAOYSA-N87.2Ex 87.22(BP est) -79.23(MP est) ----(BP exp) ----(MP exp) C(=O)C(CCF) -79.2PredN
OC(F)C(C1)(C1)287190.0974C4H7FOcyclopropylfluoromethanolN136OC(F)C(C1)(C1)InChI=1S/C4H7FO/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=IWYQMPISNSFLNX-UHFFFAOYSA-N98.3Ex 98.25(BP est) -65.13(MP est) ----(BP exp) ----(MP exp) OC(F)C(C1)(C1) -65.1PredN
NNC(F)(C=C)287390.1014C3H7FN2(1-fluoroallyl)hydrazineN136NNC(F)(C=C)InChI=1S/C3H7FN2/c1-2-3(4)6-5/h2-3,6H,1,5H2InChIKey=MDRTWFZUCBDMOY-UHFFFAOYSA-N94.7Ex 94.74(BP est) -44.09(MP est) ----(BP exp) ----(MP exp) NNC(F)(C=C) -44.1PredN
NNC(F)(C1)(C1)287490.1014C3H7FN2(1-fluorocyclopropyl)hydrazineN136NNC(F)(C1)(C1)InChI=1S/C3H7FN2/c4-3(6-5)1-2-3/h6H,1-2,5H2InChIKey=OWMBPISCWAXNQF-UHFFFAOYSA-N102.4Ex 102.44(BP est) -12.54(MP est) ----(BP exp) ----(MP exp) NNC(F)(C1)(C1) -12.5PredN
NNC(C(F)=C)287590.1014C3H7FN2(2-fluoroallyl)hydrazineN136NNC(C(F)=C)InChI=1S/C3H7FN2/c1-3(4)2-6-5/h6H,1-2,5H2InChIKey=ZNCMFHCARMDUNY-UHFFFAOYSA-N102.7Ex 102.68(BP est) -41.25(MP est) ----(BP exp) ----(MP exp) NNC(C(F)=C) -41.3PredN
NNC(C1)(C1F)287690.1014C3H7FN2(2-fluorocyclopropyl)hydrazineN136NNC(C1)(C1F)InChI=1S/C3H7FN2/c4-2-1-3(2)6-5/h2-3,6H,1,5H2InChIKey=KPIBNMBVZFQOCC-UHFFFAOYSA-N108.1Ex 108.11(BP est) -24.96(MP est) ----(BP exp) ----(MP exp) NNC(C1)(C1F) -25PredN
NNC(C=CF)287790.1014C3H7FN2(3-fluoroallyl)hydrazineN136NNC(C=CF)InChI=1S/C3H7FN2/c4-2-1-3-6-5/h1-2,6H,3,5H2InChIKey=WGFYKIFBJDBWAE-UHFFFAOYSA-N118.2Ex 118.17(BP est) -31.41(MP est) ----(BP exp) ----(MP exp) NNC(C=CF) -31.4PredN
CCCCP287890.1058C4H11PbutylphosphaneN165CCCCPInChI=1S/C4H11P/c1-2-3-4-5/h2-5H2,1H3InChIKey=DLIJPAHLBJIQHE-UHFFFAOYSA-N84.8Ex 84.77(BP est) -85.56(MP est) ----(BP exp) ----(MP exp) CCCCP -85.6PredN
CCPCC287990.1058C4H11PdiethylphosphaneN165CCPCCInChI=1S/C4H11P/c1-3-5-4-2/h5H,3-4H2,1-2H3InChIKey=VZZJVOCVAZHETD-UHFFFAOYSA-N63.3Ex 63.31(BP est) -100.01(MP est) ----(BP exp) ----(MP exp) CCPCC -100PredN
CP(CC)C288090.1058C4H11PethyldimethylphosphaneN165CP(CC)CInChI=1S/C4H11P/c1-4-5(2)3/h4H2,1-3H3InChIKey=LEMQFDHLRUSMPZ-UHFFFAOYSA-N73.3Ex 64.32(BP est) -100.40(MP est) ----(BP exp) ----(MP exp) CP(CC)C -100.4PredN
CC(CP)C288190.1058C4H11PisobutylphosphaneN165CC(CP)CInChI=1S/C4H11P/c1-4(2)3-5/h4H,3,5H2,1-2H3InChIKey=TXBIZRLVIDXDGB-UHFFFAOYSA-N69.8Ex 69.78(BP est) -97.43(MP est) ----(BP exp) ----(MP exp) CC(CP)C -97.4PredN
CPC(C)C288290.1058C4H11Pisopropyl(methyl)phosphaneN165CPC(C)CInChI=1S/C4H11P/c1-4(2)5-3/h4-5H,1-3H3InChIKey=ZCCDHRRDZKZPPO-UHFFFAOYSA-N47.9Ex 47.85(BP est) -112.02(MP est) ----(BP exp) ----(MP exp) CPC(C)C -112PredN
CPCCC288390.1058C4H11Pmethyl(propyl)phosphaneN165CPCCCInChI=1S/C4H11P/c1-3-4-5-2/h5H,3-4H2,1-2H3InChIKey=LVVACMOOTCZPBO-UHFFFAOYSA-N63.3Ex 63.31(BP est) -100.01(MP est) ----(BP exp) ----(MP exp) CPCCC -100PredN
CC(P)CC288490.1058C4H11Psec-butylphosphaneN165CC(P)CCInChI=1S/C4H11P/c1-3-4(2)5/h4H,3,5H2,1-2H3InChIKey=IQTYZHQJHQBLPZ-UHFFFAOYSA-N69.8Ex 69.78(BP est) -97.43(MP est) ----(BP exp) ----(MP exp) CC(P)CC -97.4PredN
CC(C)(P)C288590.1058C4H11Ptert-butylphosphaneN165CC(C)(P)CInChI=1S/C4H11P/c1-4(2,3)5/h5H2,1-3H3InChIKey=ZGNPLWZYVAFUNZ-UHFFFAOYSA-N47.0Ex 59.75(BP est) -91.65(MP est) ----(BP exp) ----(MP exp) CC(C)(P)C -91.7PredN
SC(F)(C#C)288690.1154C3H3FS1-fluoroprop-2-yne-1-thiolN85SC(F)(C#C)InChI=1S/C3H3FS/c1-2-3(4)5/h1,3,5HInChIKey=KGIFGKAZHGBQPQ-UHFFFAOYSA-N79.3Ex 79.32(BP est) -73.96(MP est) ----(BP exp) ----(MP exp) SC(F)(C#C) -74PredN
FCC1=CS1288790.1154C3H3FS2-(fluoromethyl)thiireneN85FCC1=CS1InChI=1S/C3H3FS/c4-1-3-2-5-3/h2H,1H2InChIKey=KHNSBURZBUOZQX-UHFFFAOYSA-N80.5Ex 80.51(BP est) -51.37(MP est) ----(BP exp) ----(MP exp) FCC1=CS1 -51.4PredN
FC(S1)=C1C288890.1154C3H3FS2-fluoro-3-methylthiireneN85FC(S1)=C1CInChI=1S/C3H3FS/c1-2-3(4)5-2/h1H3InChIKey=GPCDBPRRYPKALJ-UHFFFAOYSA-N78.4Ex 78.38(BP est) -45.73(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1C -45.7PredN
SC(C#CF)288990.1154C3H3FS3-fluoroprop-2-yne-1-thiolN85SC(C#CF)InChI=1S/C3H3FS/c4-2-1-3-5/h5H,3H2InChIKey=IUOHZTJDYDLXKC-UHFFFAOYSA-N103.1Ex 103.08(BP est) -29.96(MP est) ----(BP exp) ----(MP exp) SC(C#CF) -30PredN
CCOOCC289090.122C4H10O2(ethylperoxy)ethaneN166CCOOCCInChI=1S/C4H10O2/c1-3-5-6-4-2/h3-4H2,1-2H3InChIKey=RHMZKSWPMYAOAZ-UHFFFAOYSA-N65.0Ex 73.48(BP est) -82.31(MP est) 65.00(BP exp) -70.00(MP exp) CCOOCC -70ExptN
COCOCC289190.122C4H10O2(methoxymethoxy)ethaneN166COCOCCInChI=1S/C4H10O2/c1-3-6-4-5-2/h3-4H2,1-2H3InChIKey=CHCLGECDSSWNCP-UHFFFAOYSA-N73.5Ex 73.48(BP est) -82.31(MP est) ----(BP exp) ----(MP exp) COCOCC -82.3PredN
COC(OC)C289290.122C4H10O21,1-dimethoxyethaneN166COC(OC)CInChI=1S/C4H10O2/c1-4(5-2)6-3/h4H,1-3H3InChIKey=SPEUIVXLLWOEMJ-UHFFFAOYSA-N64.3Ex 58.24(BP est) -94.26(MP est) 64.50(BP exp) -113.20(MP exp) COC(OC)C -113.2ExptY(Duque et al. 2001, DNP 2017)
COCCOC289390.122C4H10O21,2-dimethoxyethaneN166COCCOCInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3InChIKey=XTHFKEDIFFGKHM-UHFFFAOYSA-N85.9Ex 73.48(BP est) -82.31(MP est) 85.00(BP exp) -58.00(MP exp) COCCOC -58ExptN
OC(OCC)C289490.122C4H10O21-ethoxyethan-1-olN166OC(OCC)CInChI=1S/C4H10O2/c1-3-6-4(2)5/h4-5H,3H2,1-2H3InChIKey=CAFAOQIVXSSFSY-UHFFFAOYSA-N116.6Ex 116.55(BP est) -57.94(MP est) ----(BP exp) ----(MP exp) OC(OCC)C -57.9PredN
CCCCOO289590.122C4H10O21-hydroperoxybutaneN166CCCCOOInChI=1S/C4H10O2/c1-2-3-4-6-5/h5H,2-4H2,1H3InChIKey=AKUNSTOMHUXJOZ-UHFFFAOYSA-N131.0Ex 123.17(BP est) -35.73(MP est) ----(BP exp) ----(MP exp) CCCCOO -35.7PredN
OC(OC)CC289690.122C4H10O21-methoxypropan-1-olN166OC(OC)CCInChI=1S/C4H10O2/c1-3-4(5)6-2/h4-5H,3H2,1-2H3InChIKey=LHENQXAPVKABON-UHFFFAOYSA-N116.6Ex 116.55(BP est) -57.94(MP est) ----(BP exp) ----(MP exp) OC(OC)CC -57.9PredN
OC(COC)C289790.122C4H10O21-methoxypropan-2-olN166OC(COC)CInChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3InChIKey=ARXJGSRGQADJSQ-UHFFFAOYSA-N123.6Ex 116.55(BP est) -57.94(MP est) 119.00(BP exp) -95.00(MP exp) OC(COC)C -95ExptN
OCCOCC289890.122C4H10O22-ethoxyethan-1-olN166OCCOCCInChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3InChIKey=ZNQVEEAIQZEUHB-UHFFFAOYSA-N135.0Ex 137.83(BP est) -44.23(MP est) 135.00(BP exp) -70.00(MP exp) OCCOCC -70ExptY(Sun et al. 2012)
CC(C)(OO)C289990.122C4H10O22-hydroperoxy-2-methylpropaneN166CC(C)(OO)CInChI=1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3InChIKey=CIHOLLKRGTVIJN-UHFFFAOYSA-N120.8Ex 99.60(BP est) -41.40(MP est) ----(BP exp) -8.00(MP exp) CC(C)(OO)C -8ExptN
OCC(OC)C290090.122C4H10O22-methoxypropan-1-olN166OCC(OC)CInChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3InChIKey=YTTFFPATQICAQN-UHFFFAOYSA-N129.3Ex 124.07(BP est) -55.74(MP est) 130.00(BP exp) ----(MP exp) OCC(OC)C -55.7PredN
CC(O)(OC)C290190.122C4H10O22-methoxypropan-2-olN166CC(O)(OC)CInChI=1S/C4H10O2/c1-4(2,5)6-3/h5H,1-3H3InChIKey=BFSUQRCCKXZXEX-UHFFFAOYSA-N96.0Ex 96.02(BP est) -55.22(MP est) ----(BP exp) ----(MP exp) CC(O)(OC)C -55.2PredN
OCC(O)(C)(C)290290.122C4H10O22-methylpropane-1,2-diolN166OCC(O)(C)(C)InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3InChIKey=BTVWZWFKMIUSGS-UHFFFAOYSA-N178.0Ex 158.13(BP est) -17.80(MP est) 176.00(BP exp) ----(MP exp) OCC(O)(C)(C) -17.8PredY(Gu et al. 2013)
OCC(C)C(O)290390.122C4H10O22-methylpropane-1,3-diolN166OCC(C)C(O)InChI=1S/C4H10O2/c1-4(2-5)3-6/h4-6H,2-3H2,1H3InChIKey=QWGRWMMWNDWRQN-UHFFFAOYSA-N214.0Ex 183.27(BP est) -19.16(MP est) 195.00(BP exp) -91.00(MP exp) OCC(C)C(O) -91ExptN
OCCCOC290490.122C4H10O23-methoxypropan-1-olN166OCCCOCInChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3InChIKey=JDFDHBSESGTDAL-UHFFFAOYSA-N122.3Ex 137.83(BP est) -44.23(MP est) ----(BP exp) ----(MP exp) OCCCOC -44.2PredN
OCC(O)(CC)290590.122C4H10O2butane-1,2-diolN166OCC(O)(CC)InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3InChIKey=BMRWNKZVCUKKSR-UHFFFAOYSA-N181.6Ex 176.55(BP est) -21.13(MP est) 194.00(BP exp) ----(MP exp) OCC(O)(CC) -21.1PredY(Fox and Wallace. 1997)
OCCC(O)(C)290690.122C4H10O2butane-1,3-diolN166OCCC(O)(C)InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3InChIKey=PUPZLCDOIYMWBV-UHFFFAOYSA-N205.7Ex 176.55(BP est) -21.13(MP est) 207.50(BP exp) ----(MP exp) OCCC(O)(C) -21.1PredY(Irwin et al. 2012)
OCCCCO290790.122C4H10O2butane-1,4-diolN166OCCCCOInChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2InChIKey=WERYXYBDKMZEQL-UHFFFAOYSA-N230.0Ex 195.56(BP est) -8.08(MP est) 235.00(BP exp) 20.40(MP exp) OCCCCO 20.4ExptY(Yim et al. 2011)
OC(C)C(O)(C)290890.122C4H10O2butane-2,3-diolN166OC(C)C(O)(C)InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3InChIKey=OWBTYPJTUOEWEK-UHFFFAOYSA-N180.9Ex 156.76(BP est) -34.40(MP est) 180.50(BP exp) 7.60(MP exp) OC(C)C(O)(C) 7.6ExptY(Gross et al. 1989, O Toole 1997, Schulz and Dickschat 2007, Irwin et al. 2012, DNP 2017)
OCOC(C)C290990.122C4H10O2isopropoxymethanolN166OCOC(C)CInChI=1S/C4H10O2/c1-4(2)6-3-5/h4-5H,3H2,1-2H3InChIKey=ZFCUTFMDALQSSY-UHFFFAOYSA-N124.1Ex 124.07(BP est) -55.74(MP est) ----(BP exp) ----(MP exp) OCOC(C)C -55.7PredN
OCOCCC291090.122C4H10O2propoxymethanolN166OCOCCCInChI=1S/C4H10O2/c1-2-3-6-4-5/h5H,2-4H2,1H3InChIKey=BPDIHEGWJJPPSG-UHFFFAOYSA-N137.8Ex 137.83(BP est) -44.23(MP est) ----(BP exp) ----(MP exp) OCOCCC -44.2PredN
NNCCOC291190.126C3H10N2O(2-methoxyethyl)hydrazineN166NNCCOCInChI=1S/C3H10N2O/c1-6-3-2-5-4/h5H,2-4H2,1H3InChIKey=IBELBRDFPCFICX-UHFFFAOYSA-N132.8Ex 132.76(BP est) -13.79(MP est) ----(BP exp) ----(MP exp) NNCCOC -13.8PredN
OC(CN)CN291390.126C3H10N2O1,3-diaminopropan-2-olN166OC(CN)CNInChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2InChIKey=UYBWIEGTWASWSR-UHFFFAOYSA-N235.0Ex 188.10(BP est) 29.46(MP est) ----(BP exp) ----(MP exp) OC(CN)CN 29.5PredY(Prabhu and Guruvayoorappan 2012)
NNCC(C)O291490.126C3H10N2O1-hydrazineylpropan-2-olN166NNCC(C)OInChI=1S/C3H10N2O/c1-3(6)2-5-4/h3,5-6H,2,4H2,1H3InChIKey=OWXTVVMIMIRMLL-UHFFFAOYSA-N171.8Ex 171.84(BP est) 9.41(MP est) ----(BP exp) ----(MP exp) NNCC(C)O 9.4PredN
N[C@@](CN)(CO)[H]291590.126C3H10N2O2,3-diaminopropan-1-olN166N[C@@](CN)(CO)[H]InChI=1S/C3H10N2O/c4-1-3(5)2-6/h3,6H,1-2,4-5H2InChIKey=QHBWSLQUJMHGDB-UHFFFAOYSA-N194.7Ex 194.67(BP est) 20.92(MP est) ----(BP exp) ----(MP exp) N[C@@](CN)(CO)[H] 20.9PredN
NNC(C)CO291690.126C3H10N2O2-hydrazineylpropan-1-olN166NNC(C)COInChI=1S/C3H10N2O/c1-3(2-6)5-4/h3,5-6H,2,4H2,1H3InChIKey=ZFOBHMKMJRWBMD-UHFFFAOYSA-N178.6Ex 178.63(BP est) 11.39(MP est) ----(BP exp) ----(MP exp) NNC(C)CO 11.4PredN
NNCCCO291790.126C3H10N2O3-hydrazineylpropan-1-olN166NNCCCOInChI=1S/C3H10N2O/c4-5-2-1-3-6/h5-6H,1-4H2InChIKey=WMRXHQRDCIXTCD-UHFFFAOYSA-N191.0Ex 191.04(BP est) 22.52(MP est) ----(BP exp) ----(MP exp) NNCCCO 22.5PredN
SCC(C)=O291890.14C3H6OS1-mercaptopropan-2-oneN115SCC(C)=OInChI=1S/C3H6OS/c1-3(4)2-5/h5H,2H2,1H3InChIKey=USVCRBGYQRVTNK-UHFFFAOYSA-N129.6Ex 129.56(BP est) -50.61(MP est) ----(BP exp) ----(MP exp) SCC(C)=O -50.6PredY(The Good Scents Company , Wishart et al. 2013)
CSCC=O291990.14C3H6OS2-(methylthio)acetaldehydeN115CSCC=OInChI=1S/C3H6OS/c1-5-3-2-4/h2H,3H2,1H3InChIKey=NCNSBFDGXBKAKB-UHFFFAOYSA-N129.1Ex 129.14(BP est) -55.72(MP est) ----(BP exp) ----(MP exp) CSCC=O -55.7PredY(Schulz and Dickschat 2007)
SC1COC1292090.14C3H6OSoxetane-3-thiolN115SC1COC1InChI=1S/C3H6OS/c5-3-1-4-2-3/h3,5H,1-2H2InChIKey=IIHDGFSXMNLJKC-UHFFFAOYSA-N119.8Ex 119.83(BP est) -57.92(MP est) ----(BP exp) ----(MP exp) SC1COC1 -57.9PredN
CC=CSO292190.14C3H6OSprop-1-en-1-ylsulfanolN115CC=CSOInChI=1S/C3H6OS/c1-2-3-5-4/h2-4H,1H3InChIKey=MJPOWQTYEJVYKF-UHFFFAOYSA-N178.5Ex 178.45(BP est) -34.46(MP est) ----(BP exp) ----(MP exp) CC=CSO -34.5PredY(DNP 2017)
CCC=S=O292290.14C3H6OSpropylidene-lambda4-sulfanoneN115CCC=S=OInChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3InChIKey=BAZSXBOAXJLRNH-UHFFFAOYSA-N10.0Ex 156.50(BP est) -29.02(MP est) ----(BP exp) ----(MP exp) CCC=S=O -29PredY(Irwin et al. 2012, DNP 2017)
CSC(C)=O292390.14C3H6OSS-methyl ethanethioateN115CSC(C)=OInChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3InChIKey=OATSQCXMYKYFQO-UHFFFAOYSA-N96.8Ex 115.66(BP est) -55.69(MP est) ----(BP exp) ----(MP exp) CSC(C)=O -55.7PredY(Swiegers and Pretorius 2005, Wishart et al. 2013)
OC1CSC1292490.14C3H6OSthietan-3-olN115OC1CSC1InChI=1S/C3H6OS/c4-3-1-5-2-3/h3-4H,1-2H2InChIKey=YCGJWFCBFZPGJK-UHFFFAOYSA-N152.5Ex 152.45(BP est) -10.77(MP est) ----(BP exp) ----(MP exp) OC1CSC1 -10.8PredN
C(C)(C)(C)(CF)292590.1414C5H11F1-fluoro-2,2-dimethylpropaneN176C(C)(C)(C)(CF)InChI=1S/C5H11F/c1-5(2,3)4-6/h4H2,1-3H3InChIKey=CZJHAXLHYWLWBS-UHFFFAOYSA-N40.3Ex 22.23(BP est) -112.36(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C)(CF) -112.4PredN
C(C)(CF)(CC)292690.1414C5H11F1-fluoro-2-methylbutaneN176C(C)(CF)(CC)InChI=1S/C5H11F/c1-3-5(2)4-6/h5H,3-4H2,1-2H3InChIKey=HQNOCESAXBXZAY-UHFFFAOYSA-N55.9Ex 32.78(BP est) -117.99(MP est) ----(BP exp) ----(MP exp) C(C)(CF)(CC) -118PredN
C(C)(C)(CCF)292790.1414C5H11F1-fluoro-3-methylbutaneN176C(C)(C)(CCF)InChI=1S/C5H11F/c1-5(2)3-4-6/h5H,3-4H2,1-2H3InChIKey=TVHQEXCGMKZBME-UHFFFAOYSA-N54.8Ex 32.78(BP est) -117.99(MP est) ----(BP exp) ----(MP exp) C(C)(C)(CCF) -118PredN
C(C)(CCCF)292890.1414C5H11F1-fluoropentaneN176C(C)(CCCF)InChI=1S/C5H11F/c1-2-3-4-5-6/h2-5H2,1H3InChIKey=OEPRBXUJOQLYID-UHFFFAOYSA-N62.7Ex 48.55(BP est) -105.89(MP est) 62.80(BP exp) -120.00(MP exp) C(C)(CCCF) -120ExptN
C(F)(C)(C)(CC)292990.1414C5H11F2-fluoro-2-methylbutaneN176C(F)(C)(C)(CC)InChI=1S/C5H11F/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=HLLCNVLEVVFTJB-UHFFFAOYSA-N44.8Ex 22.23(BP est) -112.36(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(CC) -112.4PredN
C(C)(C)(C(F)C)293090.1414C5H11F2-fluoro-3-methylbutaneN176C(C)(C)(C(F)C)InChI=1S/C5H11F/c1-4(2)5(3)6/h4-5H,1-3H3InChIKey=JXCNTLHKVMUETO-UHFFFAOYSA-N48.0Ex 16.68(BP est) -130.19(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C(F)C) -130.2PredN
C(C)(CC(F)C)293190.1414C5H11F2-fluoropentaneN176C(C)(CC(F)C)InChI=1S/C5H11F/c1-3-4-5(2)6/h5H,3-4H2,1-2H3InChIKey=YHRLGIPTCSGMRF-UHFFFAOYSA-N55.3Ex 32.78(BP est) -117.99(MP est) ----(BP exp) ----(MP exp) C(C)(CC(F)C) -118PredN
C(C)(C(F)CC)293290.1414C5H11F3-fluoropentaneN176C(C)(C(F)CC)InChI=1S/C5H11F/c1-3-5(6)4-2/h5H,3-4H2,1-2H3InChIKey=FBWYFZYJEAMPHJ-UHFFFAOYSA-N53.0Ex 32.78(BP est) -117.99(MP est) ----(BP exp) ----(MP exp) C(C)(C(F)CC) -118PredN
C1CNNS1293390.144C2H6N2S1,2,3-thiadiazolidineN115C1CNNS1InChI=1S/C2H6N2S/c1-2-5-4-3-1/h3-4H,1-2H2InChIKey=RLTPJVKHGBFGQA-UHFFFAOYSA-N177.9Ex 177.85(BP est) 28.09(MP est) ----(BP exp) ----(MP exp) C1CNNS1 28.1PredN
C1NCNS1293490.144C2H6N2S1,2,4-thiadiazolidineN115C1NCNS1InChI=1S/C2H6N2S/c1-3-2-5-4-1/h3-4H,1-2H2InChIKey=YFCCVJQVYQHMOG-UHFFFAOYSA-N177.9Ex 177.85(BP est) 28.09(MP est) ----(BP exp) ----(MP exp) C1NCNS1 28.1PredN
NC(NC)=S293590.144C2H6N2S1-methylthioureaN115NC(NC)=SInChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)InChIKey=KQJQICVXLJTWQD-UHFFFAOYSA-N162.6Ex 162.58(BP est) 17.53(MP est) ----(BP exp) 120.00(MP exp) NC(NC)=S 120ExptY(de Lacy Costello et al. 2014)
S=C(CN)N293690.144C2H6N2S2-aminoethanethioamideN115S=C(CN)NInChI=1S/C2H6N2S/c3-1-2(4)5/h1,3H2,(H2,4,5)InChIKey=HFCQQLLYVUSCRE-UHFFFAOYSA-N179.2Ex 179.15(BP est) 14.30(MP est) ----(BP exp) ----(MP exp) S=C(CN)N 14.3PredN
[N@H]=C(N)CS293790.144C2H6N2S2-mercaptoacetimidamideN115[N@H]=C(N)CSInChI=1S/C2H6N2S/c3-2(4)1-5/h5H,1H2,(H3,3,4)InChIKey=UFBPLMUNCVFBOH-UHFFFAOYSA-N188.1Ex 188.10(BP est) 11.91(MP est) ----(BP exp) ----(MP exp) [N@H]=C(N)CS 11.9PredN
CSC(N)=N293990.144C2H6N2Smethyl carbamimidothioateN115CSC(N)=NInChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)InChIKey=SDDKIZNHOCEXTF-UHFFFAOYSA-N175.7Ex 175.68(BP est) 7.25(MP est) ----(BP exp) ----(MP exp) CSC(N)=N 7.3PredN
C1C(=S)S1294190.158C2H2S2thiirane-2-thioneN64C1C(=S)S1InChI=1S/C2H2S2/c3-2-1-4-2/h1H2InChIKey=OZDVIUBHMMUFSU-UHFFFAOYSA-N196.3Ex 196.31(BP est) 10.99(MP est) ----(BP exp) ----(MP exp) C1C(=S)S1 11PredN
F[Si]1(CC1)C294290.1724C3H7FSi1-fluoro-1-methylsiliraneN125F[Si]1(CC1)CInChI=1S/C3H7FSi/c1-5(4)2-3-5/h2-3H2,1H3InChIKey=LBCAYCYSCWDPNT-UHFFFAOYSA-N-11.7Ex -11.66(BP est) -77.46(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1)C -77.5PredN
SCC(C)C294390.184C4H10S2-methylpropane-1-thiolN155SCC(C)CInChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3InChIKey=BDFAOUQQXJIZDG-UHFFFAOYSA-N87.9Ex 92.84(BP est) -88.15(MP est) 88.50(BP exp) ----(MP exp) SCC(C)C -88.2PredY(Wishart et al. 2013)
SC(C)(C)C294490.184C4H10S2-methylpropane-2-thiolN155SC(C)(C)CInChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3InChIKey=WMXCDAVJEZZYLT-UHFFFAOYSA-N64.1Ex 83.14(BP est) -82.28(MP est) 64.00(BP exp) -0.50(MP exp) SC(C)(C)C -0.5ExptY(Gumbmann and Burr 1964, de Lacy Costello et al. 2014)
SCCCC294590.184C4H10Sbutane-1-thiolN155SCCCCInChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3InChIKey=WQAQPCDUOCURKW-UHFFFAOYSA-N98.0Ex 107.33(BP est) -76.43(MP est) 98.50(BP exp) -115.70(MP exp) SCCCC -115.7ExptY(The Good Scents Company)
SC(CC)C294690.184C4H10Sbutane-2-thiolN155SC(CC)CInChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3InChIKey=LOCHFZBWPCLPAN-UHFFFAOYSA-N83.3Ex 92.84(BP est) -88.15(MP est) 84.50(BP exp) -165.00(MP exp) SC(CC)C -165ExptY(Gu et al. 2013)
CCSCC294790.184C4H10SdiethylsulfaneN155CCSCCInChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3InChIKey=LJSQFQKUNVCTIA-UHFFFAOYSA-N91.9Ex 92.92(BP est) -81.66(MP est) 92.10(BP exp) -103.90(MP exp) CCSCC -103.9ExptY(Bailey et al. 1961, Irwin et al. 2012)
CSC(C)C294890.184C4H10Sisopropyl(methyl)sulfaneN155CSC(C)CInChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3InChIKey=ROSSIHMZZJOVOU-UHFFFAOYSA-N84.3Ex 78.11(BP est) -93.49(MP est) 84.80(BP exp) -101.50(MP exp) CSC(C)C -101.5ExptY(Wishart et al. 2013)
CSCCC294990.184C4H10Smethyl(propyl)sulfaneN155CSCCCInChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3InChIKey=ZOASGOXWEHUTKZ-UHFFFAOYSA-N95.4Ex 92.92(BP est) -81.66(MP est) 95.60(BP exp) -113.00(MP exp) CSCCC -113ExptY(de Lacy Costello et al. 2014)
C[Si](C)(O)C295090.197C3H10OSitrimethylsilanolN155C[Si](C)(O)CInChI=1S/C3H10OSi/c1-5(2,3)4/h4H,1-3H3InChIKey=AAPLIUHOKVUFCC-UHFFFAOYSA-N98.9Ex 107.11(BP est) -66.01(MP est) ----(BP exp) ----(MP exp) C[Si](C)(O)C -66PredN
OC(C#C)Cl295190.506C3H3ClO1-chloroprop-2-yn-1-olN85OC(C#C)ClInChI=1S/C3H3ClO/c1-2-3(4)5/h1,3,5HInChIKey=MXTQHHSJGDPIMX-UHFFFAOYSA-N126.9Ex 126.87(BP est) -33.23(MP est) ----(BP exp) ----(MP exp) OC(C#C)Cl -33.2PredN
ClCC1=CO1295290.506C3H3ClO2-(chloromethyl)oxireneN85ClCC1=CO1InChI=1S/C3H3ClO/c4-1-3-2-5-3/h2H,1H2InChIKey=UQKAJOJWSIHVAV-UHFFFAOYSA-N107.0Ex 107.03(BP est) -54.40(MP est) ----(BP exp) ----(MP exp) ClCC1=CO1 -54.4PredN
ClC(O1)=C1C295390.506C3H3ClO2-chloro-3-methyloxireneN85ClC(O1)=C1CInChI=1S/C3H3ClO/c1-2-3(4)5-2/h1H3InChIKey=BEFWKRMPVGUNOB-UHFFFAOYSA-N76.3Ex 76.26(BP est) -57.13(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1C -57.1PredN
O=CC(Cl)=C295490.506C3H3ClO2-chloroacrylaldehydeN85O=CC(Cl)=CInChI=1S/C3H3ClO/c1-3(4)2-5/h2H,1H2InChIKey=ZWHANXMMZRUTAY-UHFFFAOYSA-N109.0Ex 88.55(BP est) -77.67(MP est) ----(BP exp) ----(MP exp) O=CC(Cl)=C -77.7PredN
O=CC=CCl295590.506C3H3ClO3-chloroacrylaldehydeN85O=CC=CClInChI=1S/C3H3ClO/c4-2-1-3-5/h1-3HInChIKey=ZSOPPQGHWJVKJB-UHFFFAOYSA-N29.0Ex 104.39(BP est) -67.73(MP est) ----(BP exp) ----(MP exp) O=CC=CCl -67.7PredN
OC(C#CCl)295690.506C3H3ClO3-chloroprop-2-yn-1-olN85OC(C#CCl)InChI=1S/C3H3ClO/c4-2-1-3-5/h5H,3H2InChIKey=QYMBPCIIMCLAIJ-UHFFFAOYSA-N142.0Ex 141.99(BP est) 8.25(MP est) ----(BP exp) ----(MP exp) OC(C#CCl) 8.3PredN
ClCC1CC1295790.55C4H7Cl(chloromethyl)cyclopropaneN125ClCC1CC1InChI=1S/C4H7Cl/c5-3-4-1-2-4/h4H,1-3H2InChIKey=ZVTQWXCKQTUVPY-UHFFFAOYSA-N88.0Ex 92.48(BP est) -75.06(MP est) 88.00(BP exp) -90.90(MP exp) ClCC1CC1 -90.9ExptN
ClC1(CC1)C295890.55C4H7Cl1-chloro-1-methylcyclopropaneN125ClC1(CC1)CInChI=1S/C4H7Cl/c1-4(5)2-3-4/h2-3H2,1H3InChIKey=VABRYYYQHIQWTA-UHFFFAOYSA-N52.0Ex 51.98(BP est) -74.94(MP est) ----(BP exp) ----(MP exp) ClC1(CC1)C -74.9PredN
CC1CC1Cl295990.55C4H7Cl1-chloro-2-methylcyclopropaneN125CC1CC1ClInChI=1S/C4H7Cl/c1-3-2-4(3)5/h3-4H,2H2,1H3InChIKey=KQYTYGONQSPCFT-UHFFFAOYSA-N71.9Ex 71.86(BP est) -83.20(MP est) ----(BP exp) ----(MP exp) CC1CC1Cl -83.2PredN
ClC=C(C)C296090.55C4H7Cl1-chloro-2-methylprop-1-eneN125ClC=C(C)CInChI=1S/C4H7Cl/c1-4(2)3-5/h3H,1-2H3InChIKey=KWISWUFGPUHDRY-UHFFFAOYSA-N68.1Ex 59.77(BP est) -103.10(MP est) 68.00(BP exp) ----(MP exp) ClC=C(C)C -103.1PredN
CCC=CCl296190.55C4H7Cl1-chlorobut-1-eneN125CCC=CClInChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3InChIKey=DUDKKPVINWLFBI-UHFFFAOYSA-N63.5Ex 66.69(BP est) -94.10(MP est) ----(BP exp) ----(MP exp) CCC=CCl -94.1PredN
CC=CCCl296290.55C4H7Cl1-chlorobut-2-eneN125CC=CCClInChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3InChIKey=YTKRILODNOEEPX-UHFFFAOYSA-N84.7Ex 95.83(BP est) -85.59(MP est) 85.00(BP exp) ----(MP exp) CC=CCCl -85.6PredN
CCC(Cl)=C296390.55C4H7Cl2-chlorobut-1-eneN125CCC(Cl)=CInChI=1S/C4H7Cl/c1-3-4(2)5/h2-3H2,1H3InChIKey=HSEFPJMMKNHABB-UHFFFAOYSA-N71.2Ex 49.94(BP est) -104.31(MP est) 58.50(BP exp) ----(MP exp) CCC(Cl)=C -104.3PredN
CC=C(C)Cl296490.55C4H7Cl2-chlorobut-2-eneN125CC=C(C)ClInChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3InChIKey=DSDHFHLZEFQSFM-UHFFFAOYSA-N66.8Ex 59.77(BP est) -103.10(MP est) 64.50(BP exp) -19.00(MP exp) CC=C(C)Cl -19ExptN
C=C(CCl)C296590.55C4H7Cl3-chloro-2-methylprop-1-eneN125C=C(CCl)CInChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3InChIKey=OHXAOPZTJOUYKM-UHFFFAOYSA-N71.6Ex 79.78(BP est) -95.60(MP est) 71.50(BP exp) ----(MP exp) C=C(CCl)C -95.6PredN
CC(C=C)Cl296690.55C4H7Cl3-chlorobut-1-eneN125CC(C=C)ClInChI=1S/C4H7Cl/c1-3-4(2)5/h3-4H,1H2,2H3InChIKey=VZGLVCFVUREVDP-UHFFFAOYSA-N64.7Ex 57.73(BP est) -102.56(MP est) 64.50(BP exp) ----(MP exp) CC(C=C)Cl -102.6PredN
ClCCC=C296790.55C4H7Cl4-chlorobut-1-eneN125ClCCC=CInChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2InChIKey=WKEVRZCQFQDCIR-UHFFFAOYSA-N73.5Ex 86.51(BP est) -86.66(MP est) 75.00(BP exp) ----(MP exp) ClCCC=C -86.7PredN
ClC1CCC1296890.55C4H7ClchlorocyclobutaneN125ClC1CCC1InChI=1S/C4H7Cl/c5-4-2-1-3-4/h4H,1-3H2InChIKey=STJYMUBZVMSMBP-UHFFFAOYSA-N80.5Ex 81.35(BP est) -80.07(MP est) ----(BP exp) ----(MP exp) ClC1CCC1 -80.1PredN
[O-][N+](=O)C(=O)O297091.022CHNO4nitroformic acidN76[O-][N+](=O)C(=O)OInChI=1S/CHNO4/c3-1(4)2(5)6/h(H,3,4)InChIKey=LJDZFAPLPVPTBD-UHFFFAOYSA-N203.8Ex 203.81(BP est) 37.03(MP est) ----(BP exp) ----(MP exp) [O-][N+](=O)C(=O)O 37PredN
NC(=O)CP297291.0498C2H6NOP2-phosphaneylacetamideN115NC(=O)CPInChI=1S/C2H6NOP/c3-2(4)1-5/h1,5H2,(H2,3,4)InChIKey=RAOPWWVFSUNYCH-UHFFFAOYSA-N227.5Ex 227.48(BP est) 40.78(MP est) ----(BP exp) ----(MP exp) NC(=O)CP 40.8PredN
O=PNCC297391.0498C2H6NOPN-ethyloxophosphanyl amideN115O=PNCCInChI=1S/C2H6NOP/c1-2-3-5-4/h2H2,1H3,(H,3,4)InChIKey=VAZARAZIOXUSGV-UHFFFAOYSA-N128.9Ex 128.87(BP est) -40.12(MP est) ----(BP exp) ----(MP exp) O=PNCC -40.1PredN
NC(F)(F)(C#C)297491.0608C3H3F2N1,1-difluoroprop-2-yn-1-amineN96NC(F)(F)(C#C)InChI=1S/C3H3F2N/c1-2-3(4,5)6/h1H,6H2InChIKey=FQILJOVJFNRJJB-UHFFFAOYSA-N51.2Ex 51.16(BP est) -49.77(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(C#C) -49.8PredN
NC(F)(C#CF)297591.0608C3H3F2N1,3-difluoroprop-2-yn-1-amineN96NC(F)(C#CF)InChI=1S/C3H3F2N/c4-2-1-3(5)6/h3H,6H2InChIKey=MJSMCDDWCTVGCB-UHFFFAOYSA-N70.8Ex 70.75(BP est) -23.20(MP est) ----(BP exp) ----(MP exp) NC(F)(C#CF) -23.2PredN
FC(F)C1=CN1297691.0608C3H3F2N2-(difluoromethyl)-1H-azirineN96FC(F)C1=CN1InChI=1S/C3H3F2N/c4-3(5)2-1-6-2/h1,3,6HInChIKey=KABDRYNSHQQNJP-UHFFFAOYSA-N64.3Ex 64.25(BP est) -49.53(MP est) ----(BP exp) ----(MP exp) FC(F)C1=CN1 -49.5PredN
FC(N1)=C1CF297791.0608C3H3F2N2-fluoro-3-(fluoromethyl)-1H-azirineN96FC(N1)=C1CFInChI=1S/C3H3F2N/c4-1-2-3(5)6-2/h6H,1H2InChIKey=CLVDYQVLDIOTRP-UHFFFAOYSA-N77.2Ex 77.23(BP est) -31.98(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1CF -32PredN
O=N(=O)C(C)O297891.066C2H5NO31-nitroethan-1-olN116O=N(=O)C(C)OInChI=1S/C2H5NO3/c1-2(4)3(5)6/h2,4H,1H3InChIKey=VUZPGEIXNYGDJN-UHFFFAOYSA-N156.3Ex 156.33(BP est) 3.09(MP est) ----(BP exp) ----(MP exp) O=N(=O)C(C)O 3.1PredN
NOCC(O)=O297991.066C2H5NO32-(aminooxy)acetic acidN116NOCC(O)=OInChI=1S/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)InChIKey=NQRKYASMKDDGHT-UHFFFAOYSA-N201.7Ex 201.66(BP est) 29.37(MP est) ----(BP exp) ----(MP exp) NOCC(O)=O 29.4PredN
OCCON=O298191.066C2H5NO32-hydroxyethyl nitriteN116OCCON=OInChI=1S/C2H5NO3/c4-1-2-6-3-5/h4H,1-2H2InChIKey=UGXHCASBUYZZDN-UHFFFAOYSA-N123.4Ex 123.41(BP est) -4.02(MP est) ----(BP exp) ----(MP exp) OCCON=O -4PredN
O=[N+](CCO)[O-]298291.066C2H5NO32-nitroethan-1-olN116O=[N+](CCO)[O-]InChI=1S/C2H5NO3/c4-2-1-3(5)6/h4H,1-2H2InChIKey=KIPMDPDAFINLIV-UHFFFAOYSA-N194.0Ex 176.13(BP est) 16.38(MP est) 194.00(BP exp) -80.00(MP exp) O=[N+](CCO)[O-] -80ExptY(Gu et al. 2013)
OC(=O)OCN298391.066C2H5NO3aminomethyl hydrogen carbonateN116OC(=O)OCNInChI=1S/C2H5NO3/c3-1-6-2(4)5/h1,3H2,(H,4,5)InChIKey=GNYRUUBOSDAIJT-UHFFFAOYSA-N243.4Ex 243.41(BP est) 55.50(MP est) ----(BP exp) ----(MP exp) OC(=O)OCN 55.5PredN
O=[N+]([O-])OCC298491.066C2H5NO3ethyl nitrateN116O=[N+]([O-])OCCInChI=1S/C2H5NO3/c1-2-6-3(4)5/h2H2,1H3InChIKey=IDNUEBSJWINEMI-UHFFFAOYSA-N69.9Ex 87.25(BP est) -76.10(MP est) 87.20(BP exp) -94.60(MP exp) O=[N+]([O-])OCC -94.6ExptN
C(C(=O)O)NO298591.066C2H5NO3hydroxyglycineN116C(C(=O)O)NOInChI=1S/C2H5NO3/c4-2(5)1-3-6/h3,6H,1H2,(H,4,5)InChIKey=NPWGWQRXHVJJRD-UHFFFAOYSA-N251.2Ex 251.21(BP est) 53.07(MP est) ----(BP exp) ----(MP exp) C(C(=O)O)NO 53.1PredY(DNP 2017)
O=C(OC)NO298691.066C2H5NO3methyl hydroxycarbamateN116O=C(OC)NOInChI=1S/C2H5NO3/c1-6-2(4)3-5/h5H,1H3,(H,3,4)InChIKey=MTIIEXDARCCRDH-UHFFFAOYSA-N177.4Ex 177.42(BP est) -7.56(MP est) ----(BP exp) ----(MP exp) O=C(OC)NO -7.6PredN
COC(=O)ON298791.066C2H5NO3O-(methoxycarbonyl)hydroxylamineN116COC(=O)ONInChI=1S/C2H5NO3/c1-5-2(4)6-3/h3H2,1H3InChIKey=PXLPLLZBXDPUBW-UHFFFAOYSA-N136.3Ex 136.34(BP est) -72.86(MP est) ----(BP exp) ----(MP exp) COC(=O)ON -72.9PredN
ON=C(N)NO298891.07CH5N3O21,2-dihydroxyguanidineN116ON=C(N)NOInChI=1S/CH5N3O2/c2-1(3-5)4-6/h5-6H,(H3,2,3,4)InChIKey=CGCNACTXBAFLSB-UHFFFAOYSA-N271.5Ex 271.50(BP est) 56.90(MP est) ----(BP exp) ----(MP exp) ON=C(N)NO 56.9PredN
NC(=O)NNO298991.07CH5N3O22-hydroxyhydrazine-1-carboxamideN116NC(=O)NNOInChI=1S/CH5N3O2/c2-1(5)3-4-6/h4,6H,(H3,2,3,5)InChIKey=APXGHAWHVMPQBB-UHFFFAOYSA-N276.4Ex 276.35(BP est) 79.89(MP est) ----(BP exp) ----(MP exp) NC(=O)NNO 79.9PredN
NNC(NO)=O299091.07CH5N3O2N-hydroxyhydrazinecarboxamideN116NNC(NO)=OInChI=1S/CH5N3O2/c2-3-1(5)4-6/h6H,2H2,(H2,3,4,5)InChIKey=CNRHKPRBIKMGPQ-UHFFFAOYSA-N283.8Ex 283.82(BP est) 85.46(MP est) ----(BP exp) ----(MP exp) NNC(NO)=O 85.5PredN
N#CS(O)=O299791.084CHNO2Ssulfurocyanidous acidN65N#CS(O)=OInChI=1S/CHNO2S/c2-1-5(3)4/h(H,3,4)InChIKey=DMZUQBCMOIBGFD-UHFFFAOYSA-N275.0Ex 275.01(BP est) 50.30(MP est) ----(BP exp) ----(MP exp) N#CS(O)=O 50.3PredN
FCON1CC1299891.0854C3H6FNO1-(fluoromethoxy)aziridineN126FCON1CC1InChI=1S/C3H6FNO/c4-3-6-5-1-2-5/h1-3H2InChIKey=CNSBJXXZZDPSJZ-UHFFFAOYSA-N65.6Ex 65.63(BP est) -53.89(MP est) ----(BP exp) ----(MP exp) FCON1CC1 -53.9PredN
FCN1CCO1299991.0854C3H6FNO2-(fluoromethyl)-1,2-oxazetidineN126FCN1CCO1InChI=1S/C3H6FNO/c4-3-5-1-2-6-5/h1-3H2InChIKey=PWBRNXKDVIQAIH-UHFFFAOYSA-N73.8Ex 73.75(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) FCN1CCO1 -51.1PredN
FC1N(OC)C1300091.0854C3H6FNO2-fluoro-1-methoxyaziridineN126FC1N(OC)C1InChI=1S/C3H6FNO/c1-6-5-2-3(5)4/h3H,2H2,1H3InChIKey=HHDZVQZSIGISNT-UHFFFAOYSA-N58.3Ex 58.26(BP est) -58.16(MP est) ----(BP exp) ----(MP exp) FC1N(OC)C1 -58.2PredN
FC1N(O)CC1300191.0854C3H6FNO2-fluoroazetidin-1-olN126FC1N(O)CC1InChI=1S/C3H6FNO/c4-3-1-2-5(3)6/h3,6H,1-2H2InChIKey=BJDSGUOGIOLTJD-UHFFFAOYSA-N205.4Ex 205.42(BP est) 7.34(MP est) ----(BP exp) ----(MP exp) FC1N(O)CC1 7.3PredN
FCC(NC)=O300291.0854C3H6FNO2-fluoro-N-methylacetamideN126FCC(NC)=OInChI=1S/C3H6FNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)InChIKey=IPEFMOGGPRUBRR-UHFFFAOYSA-N193.6Ex 193.58(BP est) 21.16(MP est) ----(BP exp) ----(MP exp) FCC(NC)=O 21.2PredN
FC(C(N)=O)C300391.0854C3H6FNO2-fluoropropanamideN126FC(C(N)=O)CInChI=1S/C3H6FNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)InChIKey=DFEYCTOVBPSNBP-UHFFFAOYSA-N187.7Ex 187.66(BP est) 20.97(MP est) ----(BP exp) ----(MP exp) FC(C(N)=O)C 21PredN
CN1C(F)CO1300491.0854C3H6FNO3-fluoro-2-methyl-1,2-oxazetidineN126CN1C(F)CO1InChI=1S/C3H6FNO/c1-5-3(4)2-6-5/h3H,2H2,1H3InChIKey=FEVKYVCXONJISX-UHFFFAOYSA-N66.5Ex 66.46(BP est) -55.36(MP est) ----(BP exp) ----(MP exp) CN1C(F)CO1 -55.4PredN
FC1CN(O)C1300591.0854C3H6FNO3-fluoroazetidin-1-olN126FC1CN(O)C1InChI=1S/C3H6FNO/c4-3-1-5(6)2-3/h3,6H,1-2H2InChIKey=VJUAOMRWBPMYCJ-UHFFFAOYSA-N205.4Ex 205.42(BP est) 7.34(MP est) ----(BP exp) ----(MP exp) FC1CN(O)C1 7.3PredN
FC1NOCC1300691.0854C3H6FNO3-fluoroisoxazolidineN126FC1NOCC1InChI=1S/C3H6FNO/c4-3-1-2-6-5-3/h3,5H,1-2H2InChIKey=QOZUXVZKNQKWHP-UHFFFAOYSA-N104.2Ex 104.18(BP est) -29.67(MP est) ----(BP exp) ----(MP exp) FC1NOCC1 -29.7PredN
FCCC(N)=O300791.0854C3H6FNO3-fluoropropanamideN126FCCC(N)=OInChI=1S/C3H6FNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)InChIKey=AMYVOPOCFVVUEM-UHFFFAOYSA-N199.8Ex 199.83(BP est) 23.79(MP est) ----(BP exp) ----(MP exp) FCCC(N)=O 23.8PredN
CN1CC(F)O1300891.0854C3H6FNO4-fluoro-2-methyl-1,2-oxazetidineN126CN1CC(F)O1InChI=1S/C3H6FNO/c1-5-2-3(4)6-5/h3H,2H2,1H3InChIKey=QWGDBGNEAJIBNS-UHFFFAOYSA-N66.5Ex 66.46(BP est) -55.36(MP est) ----(BP exp) ----(MP exp) CN1CC(F)O1 -55.4PredN
FC1CNOC1300991.0854C3H6FNO4-fluoroisoxazolidineN126FC1CNOC1InChI=1S/C3H6FNO/c4-3-1-5-6-2-3/h3,5H,1-2H2InChIKey=OTKNMWIPBDYKHK-UHFFFAOYSA-N104.2Ex 104.18(BP est) -29.67(MP est) ----(BP exp) ----(MP exp) FC1CNOC1 -29.7PredN
FC1ONCC1301091.0854C3H6FNO5-fluoroisoxazolidineN126FC1ONCC1InChI=1S/C3H6FNO/c4-3-1-2-5-6-3/h3,5H,1-2H2InChIKey=FBTWPIPJDBNTCO-UHFFFAOYSA-N104.2Ex 104.18(BP est) -29.67(MP est) ----(BP exp) ----(MP exp) FC1ONCC1 -29.7PredN
FC(C=C)NO301191.0854C3H6FNON-(1-fluoroallyl)hydroxylamineN126FC(C=C)NOInChI=1S/C3H6FNO/c1-2-3(4)5-6/h2-3,5-6H,1H2InChIKey=WPMRYWUTOCDLNO-UHFFFAOYSA-N137.5Ex 137.52(BP est) -42.82(MP est) ----(BP exp) ----(MP exp) FC(C=C)NO -42.8PredN
CN(O)C(F)=C301291.0854C3H6FNON-(1-fluorovinyl)-N-methylhydroxylamineN126CN(O)C(F)=CInChI=1S/C3H6FNO/c1-3(4)5(2)6/h6H,1H2,2H3InChIKey=UHDWQIDXITVREJ-UHFFFAOYSA-N195.1Ex 195.12(BP est) -12.50(MP est) ----(BP exp) ----(MP exp) CN(O)C(F)=C -12.5PredN
FC(NOC)=C301391.0854C3H6FNON-(1-fluorovinyl)-O-methylhydroxylamineN126FC(NOC)=CInChI=1S/C3H6FNO/c1-3(4)5-6-2/h5H,1H2,2H3InChIKey=GPJYIVDEOCIURZ-UHFFFAOYSA-N62.9Ex 62.92(BP est) -83.38(MP est) ----(BP exp) ----(MP exp) FC(NOC)=C -83.4PredN
FC(CNO)=C301491.0854C3H6FNON-(2-fluoroallyl)hydroxylamineN126FC(CNO)=CInChI=1S/C3H6FNO/c1-3(4)2-5-6/h5-6H,1-2H2InChIKey=QOAQBPRMVIAURE-UHFFFAOYSA-N144.9Ex 144.92(BP est) -40.14(MP est) ----(BP exp) ----(MP exp) FC(CNO)=C -40.1PredN
FC=CN(O)C301591.0854C3H6FNON-(2-fluorovinyl)-N-methylhydroxylamineN126FC=CN(O)CInChI=1S/C3H6FNO/c1-5(6)3-2-4/h2-3,6H,1H3InChIKey=SNVJKDVWKSGKQW-UHFFFAOYSA-N208.1Ex 208.13(BP est) -3.38(MP est) ----(BP exp) ----(MP exp) FC=CN(O)C -3.4PredN
FC=CNOC301691.0854C3H6FNON-(2-fluorovinyl)-O-methylhydroxylamineN126FC=CNOCInChI=1S/C3H6FNO/c1-6-5-3-2-4/h2-3,5H,1H3InChIKey=PLOIFJGNUXVFLI-UHFFFAOYSA-N79.4Ex 79.37(BP est) -73.25(MP est) ----(BP exp) ----(MP exp) FC=CNOC -73.3PredN
CC(NCF)=O301791.0854C3H6FNON-(fluoromethyl)acetamideN126CC(NCF)=OInChI=1S/C3H6FNO/c1-3(6)5-2-4/h2H2,1H3,(H,5,6)InChIKey=MDFXPGSKXOBNPJ-UHFFFAOYSA-N193.6Ex 193.58(BP est) 21.16(MP est) ----(BP exp) ----(MP exp) CC(NCF)=O 21.2PredN
FCN(O)C=C301891.0854C3H6FNON-(fluoromethyl)-N-vinylhydroxylamineN126FCN(O)C=CInChI=1S/C3H6FNO/c1-2-5(6)3-4/h2,6H,1,3H2InChIKey=QSIGNCTUIKHBDF-UHFFFAOYSA-N200.6Ex 200.58(BP est) -3.93(MP est) ----(BP exp) ----(MP exp) FCN(O)C=C -3.9PredN
FCNOC=C301991.0854C3H6FNON-(fluoromethyl)-O-vinylhydroxylamineN126FCNOC=CInChI=1S/C3H6FNO/c1-2-6-5-3-4/h2,5H,1,3H2InChIKey=YKABCVXLXSLSJI-UHFFFAOYSA-N69.8Ex 69.81(BP est) -74.38(MP est) ----(BP exp) ----(MP exp) FCNOC=C -74.4PredN
NOC(C=C)F302091.0854C3H6FNOO-(1-fluoroallyl)hydroxylamineN126NOC(C=C)FInChI=1S/C3H6FNO/c1-2-3(4)6-5/h2-3H,1,5H2InChIKey=UMBCOFXPBCOLLN-UHFFFAOYSA-N74.3Ex 74.30(BP est) -65.27(MP est) ----(BP exp) ----(MP exp) NOC(C=C)F -65.3PredN
CNOC(F)=C302191.0854C3H6FNOO-(1-fluorovinyl)-N-methylhydroxylamineN126CNOC(F)=CInChI=1S/C3H6FNO/c1-3(4)6-5-2/h5H,1H2,2H3InChIKey=XMTKEXUANTYNHQ-UHFFFAOYSA-N62.9Ex 62.92(BP est) -83.38(MP est) ----(BP exp) ----(MP exp) CNOC(F)=C -83.4PredN
NOCC(F)=C302291.0854C3H6FNOO-(2-fluoroallyl)hydroxylamineN126NOCC(F)=CInChI=1S/C3H6FNO/c1-3(4)2-6-5/h1-2,5H2InChIKey=MQLLKYZUNLTUTO-UHFFFAOYSA-N82.5Ex 82.49(BP est) -62.36(MP est) ----(BP exp) ----(MP exp) NOCC(F)=C -62.4PredN
CNOC=CF302391.0854C3H6FNOO-(2-fluorovinyl)-N-methylhydroxylamineN126CNOC=CFInChI=1S/C3H6FNO/c1-5-6-3-2-4/h2-3,5H,1H3InChIKey=QNTQEMVJZVEADV-UHFFFAOYSA-N79.4Ex 79.37(BP est) -73.25(MP est) ----(BP exp) ----(MP exp) CNOC=CF -73.3PredN
NOCC=CF302491.0854C3H6FNOO-(3-fluoroallyl)hydroxylamineN126NOCC=CFInChI=1S/C3H6FNO/c4-2-1-3-6-5/h1-2H,3,5H2InChIKey=ORRJRAZXJOWTAM-UHFFFAOYSA-N98.5Ex 98.48(BP est) -52.38(MP est) ----(BP exp) ----(MP exp) NOCC=CF -52.4PredN
C=CNOCF302591.0854C3H6FNOO-(fluoromethyl)-N-vinylhydroxylamineN126C=CNOCFInChI=1S/C3H6FNO/c1-2-5-6-3-4/h2,5H,1,3H2InChIKey=VYSMPNWHDJYWEG-UHFFFAOYSA-N69.8Ex 69.81(BP est) -74.38(MP est) ----(BP exp) ----(MP exp) C=CNOCF -74.4PredN
NOCC(C)O302691.11C3H9NO21-(aminooxy)propan-2-olN156NOCC(C)OInChI=1S/C3H9NO2/c1-3(5)2-6-4/h3,5H,2,4H2,1H3InChIKey=NDJYVTLJWDGQGL-UHFFFAOYSA-N154.0Ex 153.96(BP est) -11.02(MP est) ----(BP exp) ----(MP exp) NOCC(C)O -11PredN
OCNCCO302791.11C3H9NO22-((hydroxymethyl)amino)ethan-1-olN156OCNCCOInChI=1S/C3H9NO2/c5-2-1-4-3-6/h4-6H,1-3H2InChIKey=NWPCFCBFUXXJIE-UHFFFAOYSA-N212.7Ex 212.71(BP est) 17.62(MP est) ----(BP exp) ----(MP exp) OCNCCO 17.6PredN
CONCCO302891.11C3H9NO22-(methoxyamino)ethan-1-olN156CONCCOInChI=1S/C3H9NO2/c1-6-4-2-3-5/h4-5H,2-3H2,1H3InChIKey=XYHVCQMSPLVRPW-UHFFFAOYSA-N157.1Ex 157.10(BP est) -17.90(MP est) ----(BP exp) ----(MP exp) CONCCO -17.9PredN
NC(CO)CO302991.11C3H9NO22-aminopropane-1,3-diolN156NC(CO)COInChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2InChIKey=KJJPLEZQSCZCKE-UHFFFAOYSA-N216.2Ex 216.16(BP est) 26.43(MP est) ----(BP exp) ----(MP exp) NC(CO)CO 26.4PredY(DNP 2017)
OCC(O)CN303091.11C3H9NO23-aminopropane-1,2-diolN156OCC(O)CNInChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2InChIKey=KQIGMPWTAHJUMN-UHFFFAOYSA-N264.7Ex 209.91(BP est) 24.61(MP est) ----(BP exp) ----(MP exp) OCC(O)CN 24.6PredN
NOCCOC303191.11C3H9NO2O-(2-methoxyethyl)hydroxylamineN156NOCCOCInChI=1S/C3H9NO2/c1-5-2-3-6-4/h2-4H2,1H3InChIKey=KVGGSRKAJYWCQS-UHFFFAOYSA-N113.5Ex 113.54(BP est) -34.62(MP est) ----(BP exp) ----(MP exp) NOCCOC -34.6PredN
S=C(CO)N303291.128C2H5NOS2-hydroxyethanethioamideN105S=C(CO)NInChI=1S/C2H5NOS/c3-2(5)1-4/h4H,1H2,(H2,3,5)InChIKey=QTNWIBQLURUPJO-UHFFFAOYSA-N201.4Ex 201.39(BP est) 23.27(MP est) ----(BP exp) ----(MP exp) S=C(CO)N 23.3PredN
SCC(N)=O303391.128C2H5NOS2-mercaptoacetamideN105SCC(N)=OInChI=1S/C2H5NOS/c3-2(4)1-5/h5H,1H2,(H2,3,4)InChIKey=GYXHHICIFZSKKZ-UHFFFAOYSA-N244.5Ex 244.47(BP est) 49.49(MP est) ----(BP exp) ----(MP exp) SCC(N)=O 49.5PredN
S=CN(O)C303491.128C2H5NOSN-hydroxy-N-methylmethanethioamideN105S=CN(O)CInChI=1S/C2H5NOS/c1-3(4)2-5/h2,4H,1H3InChIKey=LSLVHNSGLHQBDX-UHFFFAOYSA-N184.9Ex 184.87(BP est) -6.65(MP est) ----(BP exp) ----(MP exp) S=CN(O)C -6.7PredY(DNP 2017)
NC(F)C(C)(C)303591.1294C4H10FN1-fluoro-2-methylpropan-1-amineN166NC(F)C(C)(C)InChI=1S/C4H10FN/c1-3(2)4(5)6/h3-4H,6H2,1-2H3InChIKey=XLRUMXRTZYRWJQ-UHFFFAOYSA-N60.0Ex 60.00(BP est) -81.55(MP est) ----(BP exp) ----(MP exp) NC(F)C(C)(C) -81.6PredN
NC(C)(C)(CF)303691.1294C4H10FN1-fluoro-2-methylpropan-2-amineN166NC(C)(C)(CF)InChI=1S/C4H10FN/c1-4(2,6)3-5/h3,6H2,1-2H3InChIKey=CHODSSFYKUSDHG-UHFFFAOYSA-N65.2Ex 65.24(BP est) -63.81(MP est) ----(BP exp) ----(MP exp) NC(C)(C)(CF) -63.8PredN
NC(F)(CCC)303791.1294C4H10FN1-fluorobutan-1-amineN166NC(F)(CCC)InChI=1S/C4H10FN/c1-2-3-4(5)6/h4H,2-3,6H2,1H3InChIKey=LXWVHANKUPRRKD-UHFFFAOYSA-N75.2Ex 75.20(BP est) -69.61(MP est) ----(BP exp) ----(MP exp) NC(F)(CCC) -69.6PredN
NC(CF)(CC)303891.1294C4H10FN1-fluorobutan-2-amineN166NC(CF)(CC)InChI=1S/C4H10FN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3InChIKey=AZHRYGRHCHZJDC-UHFFFAOYSA-N75.2Ex 75.20(BP est) -69.61(MP est) ----(BP exp) ----(MP exp) NC(CF)(CC) -69.6PredN
CN(C)C(F)(C)303991.1294C4H10FN1-fluoro-N,N-dimethylethan-1-amineN166CN(C)C(F)(C)InChI=1S/C4H10FN/c1-4(5)6(2)3/h4H,1-3H3InChIKey=QTCSDBWLWBOPPS-UHFFFAOYSA-N32.0Ex 32.03(BP est) -107.61(MP est) ----(BP exp) ----(MP exp) CN(C)C(F)(C) -107.6PredN
CNC(F)(CC)304091.1294C4H10FN1-fluoro-N-methylpropan-1-amineN166CNC(F)(CC)InChI=1S/C4H10FN/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=QUZBIFRLOYALAO-UHFFFAOYSA-N55.4Ex 55.42(BP est) -90.69(MP est) ----(BP exp) ----(MP exp) CNC(F)(CC) -90.7PredN
CNC(C)(CF)304191.1294C4H10FN1-fluoro-N-methylpropan-2-amineN166CNC(C)(CF)InChI=1S/C4H10FN/c1-4(3-5)6-2/h4,6H,3H2,1-2H3InChIKey=OTVVWCCQPPNQKG-UHFFFAOYSA-N55.4Ex 55.42(BP est) -90.69(MP est) ----(BP exp) ----(MP exp) CNC(C)(CF) -90.7PredN
NCC(F)(C)(C)304291.1294C4H10FN2-fluoro-2-methylpropan-1-amineN166NCC(F)(C)(C)InChI=1S/C4H10FN/c1-4(2,5)3-6/h3,6H2,1-2H3InChIKey=YRCWDUIBSJKELW-UHFFFAOYSA-N65.2Ex 65.24(BP est) -63.81(MP est) ----(BP exp) ----(MP exp) NCC(F)(C)(C) -63.8PredN
NC(C(F)CC)304391.1294C4H10FN2-fluorobutan-1-amineN166NC(C(F)CC)InChI=1S/C4H10FN/c1-2-4(5)3-6/h4H,2-3,6H2,1H3InChIKey=OEKBUSOWCWGWMM-UHFFFAOYSA-N75.2Ex 75.20(BP est) -69.61(MP est) ----(BP exp) ----(MP exp) NC(C(F)CC) -69.6PredN
NC(F)(C)(CC)304491.1294C4H10FN2-fluorobutan-2-amineN166NC(F)(C)(CC)InChI=1S/C4H10FN/c1-3-4(2,5)6/h3,6H2,1-2H3InChIKey=RECWJMIIAPELKL-UHFFFAOYSA-N65.2Ex 65.24(BP est) -63.81(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(CC) -63.8PredN
CN(C)C(CF)304591.1294C4H10FN2-fluoro-N,N-dimethylethan-1-amineN166CN(C)C(CF)InChI=1S/C4H10FN/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=JUJFZZAZRUJOBU-UHFFFAOYSA-N47.8Ex 47.82(BP est) -95.50(MP est) ----(BP exp) ----(MP exp) CN(C)C(CF) -95.5PredN
CNC(C(F)C)304691.1294C4H10FN2-fluoro-N-methylpropan-1-amineN166CNC(C(F)C)InChI=1S/C4H10FN/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=DQDVZNUXKBPVFN-UHFFFAOYSA-N55.4Ex 55.42(BP est) -90.69(MP est) ----(BP exp) ----(MP exp) CNC(C(F)C) -90.7PredN
CNC(F)(C)(C)304791.1294C4H10FN2-fluoro-N-methylpropan-2-amineN166CNC(F)(C)(C)InChI=1S/C4H10FN/c1-4(2,5)6-3/h6H,1-3H3InChIKey=KJHJBTOMOVNFMQ-UHFFFAOYSA-N45.2Ex 45.18(BP est) -84.97(MP est) ----(BP exp) ----(MP exp) CNC(F)(C)(C) -85PredN
NCC(C)(CF)304891.1294C4H10FN3-fluoro-2-methylpropan-1-amineN166NCC(C)(CF)InChI=1S/C4H10FN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3InChIKey=SZZMKINPSFOMSO-UHFFFAOYSA-N75.2Ex 75.20(BP est) -69.61(MP est) ----(BP exp) ----(MP exp) NCC(C)(CF) -69.6PredN
NC(CC(F)C)304991.1294C4H10FN3-fluorobutan-1-amineN166NC(CC(F)C)InChI=1S/C4H10FN/c1-4(5)2-3-6/h4H,2-3,6H2,1H3InChIKey=LMRNCVNWJNBQNO-UHFFFAOYSA-N75.2Ex 75.20(BP est) -69.61(MP est) ----(BP exp) ----(MP exp) NC(CC(F)C) -69.6PredN
NC(C)(C(F)C)305091.1294C4H10FN3-fluorobutan-2-amineN166NC(C)(C(F)C)InChI=1S/C4H10FN/c1-3(5)4(2)6/h3-4H,6H2,1-2H3InChIKey=YTZXMOOHRBVWFE-UHFFFAOYSA-N60.0Ex 60.00(BP est) -81.55(MP est) ----(BP exp) ----(MP exp) NC(C)(C(F)C) -81.6PredN
CNC(CCF)305191.1294C4H10FN3-fluoro-N-methylpropan-1-amineN166CNC(CCF)InChI=1S/C4H10FN/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=OMMBEQZVNCHVOJ-UHFFFAOYSA-N70.7Ex 70.72(BP est) -78.72(MP est) ----(BP exp) ----(MP exp) CNC(CCF) -78.7PredN
NC(CCCF)305291.1294C4H10FN4-fluorobutan-1-amineN166NC(CCCF)InChI=1S/C4H10FN/c5-3-1-2-4-6/h1-4,6H2InChIKey=CULGXMIWFKMPMB-UHFFFAOYSA-N90.1Ex 90.07(BP est) -57.77(MP est) ----(BP exp) ----(MP exp) NC(CCCF) -57.8PredN
NC(C)(CCF)305391.1294C4H10FN4-fluorobutan-2-amineN166NC(C)(CCF)InChI=1S/C4H10FN/c1-4(6)2-3-5/h4H,2-3,6H2,1H3InChIKey=CTWNQUCWODHDGS-UHFFFAOYSA-N75.2Ex 75.20(BP est) -69.61(MP est) ----(BP exp) ----(MP exp) NC(C)(CCF) -69.6PredN
CN(C(F))C(C)305491.1294C4H10FNN-(fluoromethyl)-N-methylethanamineN166CN(C(F))C(C)InChI=1S/C4H10FN/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=SSHXFWPDMCLUPJ-UHFFFAOYSA-N47.8Ex 47.82(BP est) -95.50(MP est) ----(BP exp) ----(MP exp) CN(C(F))C(C) -95.5PredN
C(F)NC(CC)305591.1294C4H10FNN-(fluoromethyl)propan-1-amineN166C(F)NC(CC)InChI=1S/C4H10FN/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=YWKNQCWSJSBEGX-UHFFFAOYSA-N70.7Ex 70.72(BP est) -78.72(MP est) ----(BP exp) ----(MP exp) C(F)NC(CC) -78.7PredN
C(F)NC(C)(C)305691.1294C4H10FNN-(fluoromethyl)propan-2-amineN166C(F)NC(C)(C)InChI=1S/C4H10FN/c1-4(2)6-3-5/h4,6H,3H2,1-2H3InChIKey=HPOVZJMQPSCCON-UHFFFAOYSA-N55.4Ex 55.42(BP est) -90.69(MP est) ----(BP exp) ----(MP exp) C(F)NC(C)(C) -90.7PredN
C(C)NC(F)(C)305791.1294C4H10FNN-ethyl-1-fluoroethan-1-amineN166C(C)NC(F)(C)InChI=1S/C4H10FN/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=GKJXZNUIHJNUAM-UHFFFAOYSA-N55.4Ex 55.42(BP est) -90.69(MP est) ----(BP exp) ----(MP exp) C(C)NC(F)(C) -90.7PredN
C(C)NC(CF)305891.1294C4H10FNN-ethyl-2-fluoroethan-1-amineN166C(C)NC(CF)InChI=1S/C4H10FN/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=BLMCUQGCOQHGPB-UHFFFAOYSA-N70.7Ex 70.72(BP est) -78.72(MP est) ----(BP exp) ----(MP exp) C(C)NC(CF) -78.7PredN
S=C(N)NN305991.132CH5N3ShydrazinecarbothioamideN105S=C(N)NNInChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)InChIKey=BRWIZMBXBAOCCF-UHFFFAOYSA-N196.9Ex 196.92(BP est) 32.44(MP est) ----(BP exp) 183.00(MP exp) S=C(N)NN 183ExptN
CN(C)CS306091.172C3H9NS(dimethylamino)methanethiolN145CN(C)CSInChI=1S/C3H9NS/c1-4(2)3-5/h5H,3H2,1-2H3InChIKey=XRCSLUACVDPFLZ-UHFFFAOYSA-N106.7Ex 106.66(BP est) -66.02(MP est) ----(BP exp) ----(MP exp) CN(C)CS -66PredN
SC(C)CN306291.172C3H9NS1-aminopropane-2-thiolN145SC(C)CNInChI=1S/C3H9NS/c1-3(5)2-4/h3,5H,2,4H2,1H3InChIKey=MHJPNBAEWSRKBK-UHFFFAOYSA-N131.7Ex 131.73(BP est) -40.81(MP est) ----(BP exp) ----(MP exp) SC(C)CN -40.8PredN
SCCNC306391.172C3H9NS2-(methylamino)ethane-1-thiolN145SCCNCInChI=1S/C3H9NS/c1-4-2-3-5/h4-5H,2-3H2,1H3InChIKey=NZSNWIOVGALACV-UHFFFAOYSA-N127.6Ex 127.63(BP est) -49.80(MP est) ----(BP exp) ----(MP exp) SCCNC -49.8PredN
NCCSC306491.172C3H9NS2-(methylthio)ethan-1-amineN145NCCSCInChI=1S/C3H9NS/c1-5-3-2-4/h2-4H2,1H3InChIKey=CYWGSFFHHMQKET-UHFFFAOYSA-N147.0Ex 131.80(BP est) -34.32(MP est) ----(BP exp) ----(MP exp) NCCSC -34.3PredN
SCC(C)N306591.172C3H9NS2-aminopropane-1-thiolN145SCC(C)NInChI=1S/C3H9NS/c1-3(4)2-5/h3,5H,2,4H2,1H3InChIKey=DJJIBYYAHJOUMY-UHFFFAOYSA-N131.7Ex 131.73(BP est) -40.81(MP est) ----(BP exp) ----(MP exp) SCC(C)N -40.8PredN
SCCCN306691.172C3H9NS3-aminopropane-1-thiolN145SCCCNInChI=1S/C3H9NS/c4-2-1-3-5/h5H,1-4H2InChIKey=IYGAMTQMILRCCI-UHFFFAOYSA-N145.3Ex 145.31(BP est) -29.34(MP est) ----(BP exp) ----(MP exp) SCCCN -29.3PredN
CC(C)SN306791.172C3H9NSS-isopropylthiohydroxylamineN145CC(C)SNInChI=1S/C3H9NS/c1-3(2)5-4/h3H,4H2,1-2H3InChIKey=OUVLUQAZXRHABI-UHFFFAOYSA-N117.9Ex 117.89(BP est) -45.88(MP est) ----(BP exp) ----(MP exp) CC(C)SN -45.9PredN
NOC#CCl306991.494C2H2ClNOO-(chloroethynyl)hydroxylamineN75NOC#CClInChI=1S/C2H2ClNO/c3-1-2-5-4/h4H2InChIKey=OSSDFOZURWWANK-UHFFFAOYSA-N117.9Ex 117.87(BP est) 17.91(MP est) ----(BP exp) ----(MP exp) NOC#CCl 17.9PredN
NC1(CC1)Cl307091.538C3H6ClN1-chlorocyclopropan-1-amineN115NC1(CC1)ClInChI=1S/C3H6ClN/c4-3(5)1-2-3/h1-2,5H2InChIKey=PPAMVAPXRQZZTA-UHFFFAOYSA-N93.3Ex 93.31(BP est) -26.88(MP est) ----(BP exp) ----(MP exp) NC1(CC1)Cl -26.9PredN
NC(C=C)Cl307191.538C3H6ClN1-chloroprop-2-en-1-amineN115NC(C=C)ClInChI=1S/C3H6ClN/c1-2-3(4)5/h2-3H,1,5H2InChIKey=JLXRHFYTBGNAEM-UHFFFAOYSA-N98.7Ex 98.73(BP est) -54.59(MP est) ----(BP exp) ----(MP exp) NC(C=C)Cl -54.6PredN
ClCC1CN1307291.538C3H6ClN2-(chloromethyl)aziridineN115ClCC1CN1InChI=1S/C3H6ClN/c4-1-3-2-5-3/h3,5H,1-2H2InChIKey=ZBQIOCCKTVTXRL-UHFFFAOYSA-N130.5Ex 130.51(BP est) -17.08(MP est) ----(BP exp) ----(MP exp) ClCC1CN1 -17.1PredN
ClC1(C)CN1307391.538C3H6ClN2-chloro-2-methylaziridineN115ClC1(C)CN1InChI=1S/C3H6ClN/c1-3(4)2-5-3/h5H,2H2,1H3InChIKey=HWVNFFXAOLHNFI-UHFFFAOYSA-N92.4Ex 92.36(BP est) -16.27(MP est) ----(BP exp) ----(MP exp) ClC1(C)CN1 -16.3PredN
ClC1C(C)N1307491.538C3H6ClN2-chloro-3-methylaziridineN115ClC1C(C)N1InChI=1S/C3H6ClN/c1-2-3(4)5-2/h2-3,5H,1H3InChIKey=HFDPLFJCPIQPIP-UHFFFAOYSA-N111.1Ex 111.10(BP est) -24.87(MP est) ----(BP exp) ----(MP exp) ClC1C(C)N1 -24.9PredN
ClC1NCC1307591.538C3H6ClN2-chloroazetidineN115ClC1NCC1InChI=1S/C3H6ClN/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=BYOLXBNLTVUDTO-UHFFFAOYSA-N120.0Ex 120.04(BP est) -21.90(MP est) ----(BP exp) ----(MP exp) ClC1NCC1 -21.9PredN
NC1CC1Cl307691.538C3H6ClN2-chlorocyclopropan-1-amineN115NC1CC1ClInChI=1S/C3H6ClN/c4-2-1-3(2)5/h2-3H,1,5H2InChIKey=NTFLESYCQDUTMI-UHFFFAOYSA-N112.0Ex 112.01(BP est) -35.48(MP est) ----(BP exp) ----(MP exp) NC1CC1Cl -35.5PredN
NCC(Cl)=C307791.538C3H6ClN2-chloroprop-2-en-1-amineN115NCC(Cl)=CInChI=1S/C3H6ClN/c1-3(4)2-5/h1-2,5H2InChIKey=KRCDPKVWFBITBB-UHFFFAOYSA-N91.4Ex 91.39(BP est) -56.21(MP est) ----(BP exp) ----(MP exp) NCC(Cl)=C -56.2PredN
ClC1CNC1307891.538C3H6ClN3-chloroazetidineN115ClC1CNC1InChI=1S/C3H6ClN/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=GAXJNXCLEVZPFX-UHFFFAOYSA-N120.0Ex 120.04(BP est) -21.90(MP est) ----(BP exp) ----(MP exp) ClC1CNC1 -21.9PredN
NCC=CCl307991.538C3H6ClN3-chloroprop-2-en-1-amineN115NCC=CClInChI=1S/C3H6ClN/c4-2-1-3-5/h1-2H,3,5H2InChIKey=ZOGFQDXLOXDFHI-UHFFFAOYSA-N107.2Ex 107.16(BP est) -46.29(MP est) ----(BP exp) ----(MP exp) NCC=CCl -46.3PredN
FB(OC)OC308091.8764C2H6BFO2dimethyl borofluoridateN126FB(OC)OCInChI=1S/C2H6BFO2/c1-5-3(4)6-2/h1-2H3InChIKey=LOGBIHSWKLLNDY-UHFFFAOYSA-N22.9Ex 22.91(BP est) -113.73(MP est) ----(BP exp) ----(MP exp) FB(OC)OC -113.7PredN
FB(F)C(C)C308191.8958C3H7BF2difluoro(isopropyl)boraneN136FB(F)C(C)CInChI=1S/C3H7BF2/c1-3(2)4(5)6/h3H,1-2H3InChIKey=ZNGYGWBCHYGGRA-UHFFFAOYSA-N-20.6Ex -20.59(BP est) -150.23(MP est) ----(BP exp) ----(MP exp) FB(F)C(C)C -150.2PredN
CCCB(F)F308291.8958C3H7BF2difluoro(propyl)boraneN136CCCB(F)FInChI=1S/C3H7BF2/c1-2-3-4(5)6/h2-3H2,1H3InChIKey=USDOFVMMXUDBRK-UHFFFAOYSA-N-3.8Ex -3.75(BP est) -137.82(MP est) ----(BP exp) ----(MP exp) CCCB(F)F -137.8PredN
O=PC(F)=C308492.0092C2H2FOP(1-fluorovinyl)(oxo)phosphaneN75O=PC(F)=CInChI=1S/C2H2FOP/c1-2(3)5-4/h1H2InChIKey=IXFNKSUZSPLOLX-UHFFFAOYSA-N78.3Ex 78.27(BP est) -88.79(MP est) ----(BP exp) ----(MP exp) O=PC(F)=C -88.8PredN
O=PC=CF308592.0092C2H2FOP(2-fluorovinyl)(oxo)phosphaneN75O=PC=CFInChI=1S/C2H2FOP/c3-1-2-5-4/h1-2HInChIKey=WBYIQKHVYKLOHD-UHFFFAOYSA-N94.4Ex 94.36(BP est) -78.77(MP est) ----(BP exp) ----(MP exp) O=PC=CF -78.8PredN
O1CCOP1308892.0338C2H5O2P1,3,2-dioxaphospholaneN105O1CCOP1InChI=1S/C2H5O2P/c1-2-4-5-3-1/h5H,1-2H2InChIKey=FZRJLBJACDITKM-UHFFFAOYSA-N90.5Ex 90.46(BP est) -67.45(MP est) ----(BP exp) ----(MP exp) O1CCOP1 -67.5PredN
O=P1(O)CC1308992.0338C2H5O2P1-hydroxyphosphirane 1-oxideN105O=P1(O)CC1InChI=1S/C2H5O2P/c3-5(4)1-2-5/h1-2H2,(H,3,4)InChIKey=YLOVTILJQFYNPC-UHFFFAOYSA-N189.4Ex 189.36(BP est) -21.90(MP est) ----(BP exp) ----(MP exp) O=P1(O)CC1 -21.9PredN
OC(=O)CP309092.0338C2H5O2P2-phosphaneylacetic acidN105OC(=O)CPInChI=1S/C2H5O2P/c3-2(4)1-5/h1,5H2,(H,3,4)InChIKey=YKJZFNRWSLHRAG-UHFFFAOYSA-N178.1Ex 178.10(BP est) 10.72(MP est) ----(BP exp) ----(MP exp) OC(=O)CP 10.7PredN
O=P(C=C)O309192.0338C2H5O2Pvinylphosphinic acidN105O=P(C=C)OInChI=1S/C2H5O2P/c1-2-5(3)4/h2,5H,1H2,(H,3,4)InChIKey=MQIGTIFMSSGUBS-UHFFFAOYSA-N182.2Ex 182.16(BP est) -29.55(MP est) ----(BP exp) ----(MP exp) O=P(C=C)O -29.6PredN
OC(F)(F)(C#C)309392.0448C3H2F2O1,1-difluoroprop-2-yn-1-olN86OC(F)(F)(C#C)InChI=1S/C3H2F2O/c1-2-3(4,5)6/h1,6HInChIKey=HWGQVQCOUOMSAS-UHFFFAOYSA-N58.9Ex 58.94(BP est) -58.72(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(C#C) -58.7PredN
OC(F)(C#CF)309492.0448C3H2F2O1,3-difluoroprop-2-yn-1-olN86OC(F)(C#CF)InChI=1S/C3H2F2O/c4-2-1-3(5)6/h3,6HInChIKey=SROCPRZLHAVZBV-UHFFFAOYSA-N89.8Ex 89.81(BP est) -28.86(MP est) ----(BP exp) ----(MP exp) OC(F)(C#CF) -28.9PredN
FC(F)C1=CO1309592.0448C3H2F2O2-(difluoromethyl)oxireneN86FC(F)C1=CO1InChI=1S/C3H2F2O/c4-3(5)2-1-6-2/h1,3HInChIKey=BCLOOMRBPLNUBX-UHFFFAOYSA-N29.4Ex 29.42(BP est) -98.93(MP est) ----(BP exp) ----(MP exp) FC(F)C1=CO1 -98.9PredN
C(=O)C(F)=C(F)309692.0448C3H2F2O2,3-difluoroacrylaldehydeN86C(=O)C(F)=C(F)InChI=1S/C3H2F2O/c4-1-3(5)2-6/h1-2HInChIKey=KIAVAULLWJAILV-UHFFFAOYSA-N65.6Ex 65.64(BP est) -100.39(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)=C(F) -100.4PredN
FC(O1)=C1CF309792.0448C3H2F2O2-fluoro-3-(fluoromethyl)oxireneN86FC(O1)=C1CFInChI=1S/C3H2F2O/c4-1-2-3(5)6-2/h1H2InChIKey=PQNMSPUMUUZCDV-UHFFFAOYSA-N43.0Ex 43.02(BP est) -81.20(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1CF -81.2PredN
C(=O)C=C(F)(F)309892.0448C3H2F2O3,3-difluoroacrylaldehydeN86C(=O)C=C(F)(F)InChI=1S/C3H2F2O/c4-3(5)1-2-6/h1-2HInChIKey=CPASXBDWVYYQEQ-UHFFFAOYSA-N65.6Ex 65.64(BP est) -100.39(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(F)(F) -100.4PredN
PC(F)C=C310092.0532C3H6FP(1-fluoroallyl)phosphaneN115PC(F)C=CInChI=1S/C3H6FP/c1-2-3(4)5/h2-3H,1,5H2InChIKey=ZLJBVTWRMBKZCH-UHFFFAOYSA-N44.8Ex 44.80(BP est) -110.95(MP est) ----(BP exp) ----(MP exp) PC(F)C=C -111PredN
CPC(F)=C310192.0532C3H6FP(1-fluorovinyl)(methyl)phosphaneN115CPC(F)=CInChI=1S/C3H6FP/c1-3(4)5-2/h5H,1H2,2H3InChIKey=XZGBCLOOGAIIMI-UHFFFAOYSA-N30.9Ex 30.90(BP est) -122.67(MP est) ----(BP exp) ----(MP exp) CPC(F)=C -122.7PredN
PCC(F)=C310292.0532C3H6FP(2-fluoroallyl)phosphaneN115PCC(F)=CInChI=1S/C3H6FP/c1-3(4)2-5/h1-2,5H2InChIKey=PRTPHKWVAKBJTD-UHFFFAOYSA-N53.3Ex 53.33(BP est) -107.94(MP est) ----(BP exp) ----(MP exp) PCC(F)=C -107.9PredN
CPC=CF310392.0532C3H6FP(2-fluorovinyl)(methyl)phosphaneN115CPC=CFInChI=1S/C3H6FP/c1-5-3-2-4/h2-3,5H,1H3InChIKey=FASOHJOKHNLQGB-UHFFFAOYSA-N48.1Ex 48.08(BP est) -112.34(MP est) ----(BP exp) ----(MP exp) CPC=CF -112.3PredN
PCC=CF310492.0532C3H6FP(3-fluoroallyl)phosphaneN115PCC=CFInChI=1S/C3H6FP/c4-2-1-3-5/h1-2H,3,5H2InChIKey=VMAIFSVUKJCQMR-UHFFFAOYSA-N70.0Ex 70.00(BP est) -97.75(MP est) ----(BP exp) ----(MP exp) PCC=CF -97.8PredN
FCPC=C310592.0532C3H6FP(fluoromethyl)(vinyl)phosphaneN115FCPC=CInChI=1S/C3H6FP/c1-2-5-3-4/h2,5H,1,3H2InChIKey=ZVSBTYDQRMPKIH-UHFFFAOYSA-N38.1Ex 38.09(BP est) -113.59(MP est) ----(BP exp) ----(MP exp) FCPC=C -113.6PredN
FCP1CC1310692.0532C3H6FP1-(fluoromethyl)phosphiraneN115FCP1CC1InChI=1S/C3H6FP/c4-3-5-1-2-5/h1-3H2InChIKey=BWUOFRQQLQEJNH-UHFFFAOYSA-N50.7Ex 50.67(BP est) -96.87(MP est) ----(BP exp) ----(MP exp) FCP1CC1 -96.9PredN
CP1C(F)C1310792.0532C3H6FP2-fluoro-1-methylphosphiraneN115CP1C(F)C1InChI=1S/C3H6FP/c1-5-2-3(5)4/h3H,2H2,1H3InChIKey=QWQJHWCAVPWKLA-UHFFFAOYSA-N43.2Ex 43.15(BP est) -101.19(MP est) ----(BP exp) ----(MP exp) CP1C(F)C1 -101.2PredN
FC1CCP1310892.0532C3H6FP2-fluorophosphetaneN115FC1CCP1InChI=1S/C3H6FP/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=ZSXDGJPBJGHYNZ-UHFFFAOYSA-N44.5Ex 44.49(BP est) -101.87(MP est) ----(BP exp) ----(MP exp) FC1CCP1 -101.9PredN
FC1CPC1310992.0532C3H6FP3-fluorophosphetaneN115FC1CPC1InChI=1S/C3H6FP/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=IUNYSZCPNFYADR-UHFFFAOYSA-N44.5Ex 44.49(BP est) -101.87(MP est) ----(BP exp) ----(MP exp) FC1CPC1 -101.9PredN
O=C(NO)NO311192.054CH4N2O31,3-dihydroxyureaN106O=C(NO)NOInChI=1S/CH4N2O3/c4-1(2-5)3-6/h5-6H,(H2,2,3,4)InChIKey=IBTSIFIGTARYRB-UHFFFAOYSA-N310.9Ex 310.92(BP est) 91.72(MP est) ----(BP exp) ----(MP exp) O=C(NO)NO 91.7PredY(Yakelis and Farias 2010)
[O-][N+](=O)CNO311292.054CH4N2O3N-(nitromethyl)hydroxylamineN106[O-][N+](=O)CNOInChI=1S/CH4N2O3/c4-2-1-3(5)6/h2,4H,1H2InChIKey=AFKWNDFBTYNYSH-UHFFFAOYSA-N208.6Ex 208.62(BP est) 33.75(MP est) ----(BP exp) ----(MP exp) [O-][N+](=O)CNO 33.8PredN
OC(=O)C(F)(C)311392.0694C3H5FO22-fluoropropanoic acidN116OC(=O)C(F)(C)InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)InChIKey=ZVZPFTCEXIGSHM-UHFFFAOYSA-N133.7Ex 133.66(BP est) -19.51(MP est) ----(BP exp) ----(MP exp) OC(=O)C(F)(C) -19.5PredN
OC(=O)C(CF)311492.0694C3H5FO23-fluoropropanoic acidN116OC(=O)C(CF)InChI=1S/C3H5FO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)InChIKey=RPFXMKLCYJSYDE-UHFFFAOYSA-N147.2Ex 147.19(BP est) -8.06(MP est) ----(BP exp) ----(MP exp) OC(=O)C(CF) -8.1PredN
C(F)OC(=O)C311592.0694C3H5FO2fluoromethyl acetateN116C(F)OC(=O)CInChI=1S/C3H5FO2/c1-3(5)6-2-4/h2H2,1H3InChIKey=HQXIZELVZQGTTK-UHFFFAOYSA-N55.1Ex 55.13(BP est) -94.07(MP est) ----(BP exp) ----(MP exp) C(F)OC(=O)C -94.1PredN
COC(=O)C(F)311692.0694C3H5FO2methyl 2-fluoroacetateN116COC(=O)C(F)InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3InChIKey=RJBYSQHLLIHSLT-UHFFFAOYSA-N104.3Ex 55.13(BP est) -94.07(MP est) 104.50(BP exp) -35.00(MP exp) COC(=O)C(F) -35ExptN
NC(NCF)=O311792.0734C2H5FN2O1-(fluoromethyl)ureaN116NC(NCF)=OInChI=1S/C2H5FN2O/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=NQGAZJXBTAZJET-UHFFFAOYSA-N179.5Ex 179.46(BP est) 12.05(MP est) ----(BP exp) ----(MP exp) NC(NCF)=O 12.1PredN
NC(N(C)F)=O311892.0734C2H5FN2O1-fluoro-1-methylureaN116NC(N(C)F)=OInChI=1S/C2H5FN2O/c1-5(3)2(4)6/h1H3,(H2,4,6)InChIKey=DKAISWLXSJBIMR-UHFFFAOYSA-N177.5Ex 177.53(BP est) 24.23(MP est) ----(BP exp) ----(MP exp) NC(N(C)F)=O 24.2PredN
FNC(NC)=O311992.0734C2H5FN2O1-fluoro-3-methylureaN116FNC(NC)=OInChI=1S/C2H5FN2O/c1-4-2(6)5-3/h1H3,(H2,4,5,6)InChIKey=CLBSVIBIRXDIKS-UHFFFAOYSA-N172.9Ex 172.93(BP est) 20.39(MP est) ----(BP exp) ----(MP exp) FNC(NC)=O 20.4PredN
OCP(C)C312092.0778C3H9OP(dimethylphosphaneyl)methanolN145OCP(C)CInChI=1S/C3H9OP/c1-5(2)3-4/h4H,3H2,1-2H3InChIKey=LRUAEICXNJUARS-UHFFFAOYSA-N130.5Ex 130.45(BP est) -56.32(MP est) ----(BP exp) ----(MP exp) OCP(C)C -56.3PredN
CC(O)CP312192.0778C3H9OP1-phosphaneylpropan-2-olN145CC(O)CPInChI=1S/C3H9OP/c1-3(4)2-5/h3-4H,2,5H2,1H3InChIKey=GKTWMJJBQAUOCH-UHFFFAOYSA-N128.0Ex 128.00(BP est) -55.66(MP est) ----(BP exp) ----(MP exp) CC(O)CP -55.7PredN
CCPOC312392.0778C3H9OPethyl(methoxy)phosphaneN145CCPOCInChI=1S/C3H9OP/c1-3-5-4-2/h5H,3H2,1-2H3InChIKey=UJRXDLKKIKYMHS-UHFFFAOYSA-N64.3Ex 64.29(BP est) -94.24(MP est) ----(BP exp) ----(MP exp) CCPOC -94.2PredN
O=P(C)CC312492.0778C3H9OPethyl(methyl)phosphine oxideN145O=P(C)CCInChI=1S/C3H9OP/c1-3-5(2)4/h5H,3H2,1-2H3InChIKey=UFGGBJYMEZXRLU-UHFFFAOYSA-N106.4Ex 106.40(BP est) -75.56(MP est) ----(BP exp) ----(MP exp) O=P(C)CC -75.6PredN
CP(C)OC312692.0778C3H9OPmethoxydimethylphosphaneN145CP(C)OCInChI=1S/C3H9OP/c1-4-5(2)3/h1-3H3InChIKey=ODXKYOFRPVSRTK-UHFFFAOYSA-N65.3Ex 65.31(BP est) -94.63(MP est) ----(BP exp) ----(MP exp) CP(C)OC -94.6PredN
O=P(C)(C)C312792.0778C3H9OPtrimethylphosphine oxideN145O=P(C)(C)CInChI=1S/C3H9OP/c1-5(2,3)4/h1-3H3InChIKey=LRMLWYXJORUTBG-UHFFFAOYSA-N104.2Ex 104.20(BP est) -84.39(MP est) ----(BP exp) ----(MP exp) O=P(C)(C)C -84.4PredN
C(C(F)F)(C1)(C1)312892.0888C4H6F2(difluoromethyl)cyclopropaneN126C(C(F)F)(C1)(C1)InChI=1S/C4H6F2/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=CYHDBQJCEKTXSH-UHFFFAOYSA-N13.2Ex 13.18(BP est) -120.08(MP est) ----(BP exp) ----(MP exp) C(C(F)F)(C1)(C1) -120.1PredN
C(C)(C1)(C1(F)F)312992.0888C4H6F21,1-difluoro-2-methylcyclopropaneN126C(C)(C1)(C1(F)F)InChI=1S/C4H6F2/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=HSYZCEHTRWCKAM-UHFFFAOYSA-N7.3Ex 7.34(BP est) -104.46(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C1(F)F) -104.5PredN
C(F)(F)=C(C)(C)313092.0888C4H6F21,1-difluoro-2-methylprop-1-eneN126C(F)(F)=C(C)(C)InChI=1S/C4H6F2/c1-3(2)4(5)6/h1-2H3InChIKey=HCPDKGKTCAHBCY-UHFFFAOYSA-N10.3Ex 18.45(BP est) -136.52(MP est) ----(BP exp) ----(MP exp) C(F)(F)=C(C)(C) -136.5PredN
C(CC=C(F)F)313192.0888C4H6F21,1-difluorobut-1-eneN126C(CC=C(F)F)InChI=1S/C4H6F2/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=CYICOSUAVXTZOD-UHFFFAOYSA-N3.7Ex 25.76(BP est) -127.40(MP est) ----(BP exp) ----(MP exp) C(CC=C(F)F) -127.4PredN
C(C)=C(C(F)F)313292.0888C4H6F21,1-difluorobut-2-eneN126C(C)=C(C(F)F)InChI=1S/C4H6F2/c1-2-3-4(5)6/h2-4H,1H3InChIKey=WPUUAHVUNJYCRY-UHFFFAOYSA-N16.9Ex 16.91(BP est) -130.50(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(F)F) -130.5PredN
C(C1)(CC1(F)F)313392.0888C4H6F21,1-difluorocyclobutaneN126C(C1)(CC1(F)F)InChI=1S/C4H6F2/c5-4(6)2-1-3-4/h1-3H2InChIKey=DPPHNCGGFCAZGX-UHFFFAOYSA-N17.7Ex 17.69(BP est) -101.08(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1(F)F) -101.1PredN
C(F)(C)(C1)(C1F)313492.0888C4H6F21,2-difluoro-1-methylcyclopropaneN126C(F)(C)(C1)(C1F)InChI=1S/C4H6F2/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=VKBGFONWMCELSG-UHFFFAOYSA-N7.3Ex 7.34(BP est) -104.46(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C1)(C1F) -104.5PredN
C(C)(C1F)(C1F)313592.0888C4H6F21,2-difluoro-3-methylcyclopropaneN126C(C)(C1F)(C1F)InChI=1S/C4H6F2/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=FBKJFIUTEMDRNU-UHFFFAOYSA-N13.8Ex 13.81(BP est) -116.64(MP est) ----(BP exp) ----(MP exp) C(C)(C1F)(C1F) -116.6PredN
C(CC(F)=CF)313692.0888C4H6F21,2-difluorobut-1-eneN126C(CC(F)=CF)InChI=1S/C4H6F2/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=RLLUMKBDOJUBQE-UHFFFAOYSA-N25.8Ex 25.76(BP est) -127.40(MP est) ----(BP exp) ----(MP exp) C(CC(F)=CF) -127.4PredN
C(C)=C(F)(CF)313792.0888C4H6F21,2-difluorobut-2-eneN126C(C)=C(F)(CF)InChI=1S/C4H6F2/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=SLBHLCQNNQZOBA-UHFFFAOYSA-N25.8Ex 25.76(BP est) -127.40(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(CF) -127.4PredN
C(C1)(C(F)C1F)313892.0888C4H6F21,2-difluorocyclobutaneN126C(C1)(C(F)C1F)InChI=1S/C4H6F2/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=ABANFUVACOXJMM-UHFFFAOYSA-N24.1Ex 24.07(BP est) -113.28(MP est) ----(BP exp) ----(MP exp) C(C1)(C(F)C1F) -113.3PredN
C(F)=C(C)(CF)313992.0888C4H6F21,3-difluoro-2-methylprop-1-eneN126C(F)=C(C)(CF)InChI=1S/C4H6F2/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=CNFPGPIJQQCZMQ-UHFFFAOYSA-N25.8Ex 25.76(BP est) -127.40(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(CF) -127.4PredN
C(C(F)C=CF)314092.0888C4H6F21,3-difluorobut-1-eneN126C(C(F)C=CF)InChI=1S/C4H6F2/c1-4(6)2-3-5/h2-4H,1H3InChIKey=VJNJGUMODWDGQO-UHFFFAOYSA-N16.9Ex 16.91(BP est) -130.50(MP est) ----(BP exp) ----(MP exp) C(C(F)C=CF) -130.5PredN
C(CF)=C(F)(C)314192.0888C4H6F21,3-difluorobut-2-eneN126C(CF)=C(F)(C)InChI=1S/C4H6F2/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=RDNRZELOWHVMCD-UHFFFAOYSA-N25.8Ex 25.76(BP est) -127.40(MP est) ----(BP exp) ----(MP exp) C(CF)=C(F)(C) -127.4PredN
C(C1F)(C(F)C1)314292.0888C4H6F21,3-difluorocyclobutaneN126C(C1F)(C(F)C1)InChI=1S/C4H6F2/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=QQETVNFAIRSQDR-UHFFFAOYSA-N24.1Ex 24.07(BP est) -113.28(MP est) ----(BP exp) ----(MP exp) C(C1F)(C(F)C1) -113.3PredN
C(F)(CC=CF)314392.0888C4H6F21,4-difluorobut-1-eneN126C(F)(CC=CF)InChI=1S/C4H6F2/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=YWTYNKNGQZFTMQ-UHFFFAOYSA-N33.0Ex 33.00(BP est) -118.31(MP est) ----(BP exp) ----(MP exp) C(F)(CC=CF) -118.3PredN
C(CF)=C(CF)314492.0888C4H6F21,4-difluorobut-2-eneN126C(CF)=C(CF)InChI=1S/C4H6F2/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=ABBQDHANZQEWHT-UHFFFAOYSA-N74.8Ex 33.00(BP est) -118.31(MP est) ----(BP exp) ----(MP exp) C(CF)=C(CF) -118.3PredN
C(F)(CF)(C1)(C1)314592.0888C4H6F21-fluoro-1-(fluoromethyl)cyclopropaneN126C(F)(CF)(C1)(C1)InChI=1S/C4H6F2/c5-3-4(6)1-2-4/h1-3H2InChIKey=JRLZKMSRYODYTC-UHFFFAOYSA-N15.2Ex 15.22(BP est) -100.04(MP est) ----(BP exp) ----(MP exp) C(F)(CF)(C1)(C1) -100PredN
C(CF)(C1)(C1F)314692.0888C4H6F21-fluoro-2-(fluoromethyl)cyclopropaneN126C(CF)(C1)(C1F)InChI=1S/C4H6F2/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=CXPCWNLIKSVJCD-UHFFFAOYSA-N21.6Ex 21.62(BP est) -112.24(MP est) ----(BP exp) ----(MP exp) C(CF)(C1)(C1F) -112.2PredN
C(C(F)C(F)=C)314892.0888C4H6F22,3-difluorobut-1-eneN126C(C(F)C(F)=C)InChI=1S/C4H6F2/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=AXVVWOPLKNHSQW-UHFFFAOYSA-N-1.0Ex -0.97(BP est) -141.04(MP est) ----(BP exp) ----(MP exp) C(C(F)C(F)=C) -141PredN
C(F)(C)=C(F)(C)314992.0888C4H6F22,3-difluorobut-2-eneN126C(F)(C)=C(F)(C)InChI=1S/C4H6F2/c1-3(5)4(2)6/h1-2H3InChIKey=VPIRIYLZPMUDIR-UHFFFAOYSA-N18.5Ex 18.45(BP est) -136.52(MP est) ----(BP exp) ----(MP exp) C(F)(C)=C(F)(C) -136.5PredN
C(F)(CC(F)=C)315092.0888C4H6F22,4-difluorobut-1-eneN126C(F)(CC(F)=C)InChI=1S/C4H6F2/c1-4(6)2-3-5/h1-3H2InChIKey=HKVJPCJKUOZTSL-UHFFFAOYSA-N15.5Ex 15.48(BP est) -128.74(MP est) ----(BP exp) ----(MP exp) C(F)(CC(F)=C) -128.7PredN
C=C(C)(C(F)F)315192.0888C4H6F23,3-difluoro-2-methylprop-1-eneN126C=C(C)(C(F)F)InChI=1S/C4H6F2/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=XXGCDCCJAXTSGW-UHFFFAOYSA-N27.8Ex -0.97(BP est) -141.04(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(F)F) -141PredN
C(C(F)(F)C=C)315292.0888C4H6F23,3-difluorobut-1-eneN126C(C(F)(F)C=C)InChI=1S/C4H6F2/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=DBHFDRQTJRIKGA-UHFFFAOYSA-N24.5Ex -4.38(BP est) -126.35(MP est) ----(BP exp) ----(MP exp) C(C(F)(F)C=C) -126.4PredN
C(F)(C(F)C=C)315392.0888C4H6F23,4-difluorobut-1-eneN126C(F)(C(F)C=C)InChI=1S/C4H6F2/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=ZAXBKMVIBDNNPJ-UHFFFAOYSA-N6.5Ex 6.52(BP est) -131.88(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)C=C) -131.9PredN
C=C(CF)(CF)315492.0888C4H6F23-fluoro-2-(fluoromethyl)prop-1-eneN126C=C(CF)(CF)InChI=1S/C4H6F2/c1-4(2-5)3-6/h1-3H2InChIKey=AKAQDSCODRVUDP-UHFFFAOYSA-N15.5Ex 15.48(BP est) -128.74(MP est) ----(BP exp) ----(MP exp) C=C(CF)(CF) -128.7PredN
C(F)(F)(CC=C)315592.0888C4H6F24,4-difluorobut-1-eneN126C(F)(F)(CC=C)InChI=1S/C4H6F2/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=ABCATIFGNSHDMN-UHFFFAOYSA-N6.5Ex 6.52(BP est) -131.88(MP est) ----(BP exp) ----(MP exp) C(F)(F)(CC=C) -131.9PredN
COCCOO315692.094C3H8O31-hydroperoxy-2-methoxyethaneN146COCCOOInChI=1S/C3H8O3/c1-5-2-3-6-4/h4H,2-3H2,1H3InChIKey=AUHVHONAWROWPE-UHFFFAOYSA-N124.1Ex 124.07(BP est) -29.99(MP est) ----(BP exp) ----(MP exp) COCCOO -30PredN
OCCOCO315792.094C3H8O32-(hydroxymethoxy)ethan-1-olN146OCCOCOInChI=1S/C3H8O3/c4-1-2-6-3-5/h4-5H,1-3H2InChIKey=ONSWVOSXVUHESJ-UHFFFAOYSA-N196.3Ex 196.34(BP est) -2.37(MP est) ----(BP exp) ----(MP exp) OCCOCO -2.4PredN
CC(CO)OO315892.094C3H8O32-hydroperoxypropan-1-olN146CC(CO)OOInChI=1S/C3H8O3/c1-3(2-4)6-5/h3-5H,2H2,1H3InChIKey=CGHALRGHFXEMJB-UHFFFAOYSA-N170.7Ex 170.66(BP est) -4.59(MP est) ----(BP exp) ----(MP exp) CC(CO)OO -4.6PredN
OCC(CO)O316192.094C3H8O3propane-1,2,3-triolN146OCC(CO)OInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2InChIKey=PEDCQBHIVMGVHV-UHFFFAOYSA-N289.0Ex 230.65(BP est) 19.44(MP est) 290.00(BP exp) 18.20(MP exp) OCC(CO)O 18.2ExptY(O'Toole 1997, Irwin et al. 2012)
ONCCNO316592.098C2H8N2O2N,N'-(ethane-1,2-diyl)bis(hydroxylamine)N146ONCCNOInChI=1S/C2H8N2O2/c5-3-1-2-4-6/h3-6H,1-2H2InChIKey=IDTXSDSJJGNDGL-UHFFFAOYSA-N255.5Ex 255.46(BP est) 50.80(MP est) ----(BP exp) ----(MP exp) ONCCNO 50.8PredN
O(N)CCON316692.098C2H8N2O2O,O'-(ethane-1,2-diyl)bis(hydroxylamine)N146O(N)CCONInChI=1S/C2H8N2O2/c3-5-1-2-6-4/h1-4H2InChIKey=UQVFAWQNJLTMMF-UHFFFAOYSA-N151.1Ex 151.14(BP est) 12.35(MP est) ----(BP exp) ----(MP exp) O(N)CCON 12.4PredN
SCC(O)=O316892.112C2H4O2S2-mercaptoacetic acidN95SCC(O)=OInChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)InChIKey=CWERGRDVMFNCDR-UHFFFAOYSA-N218.8Ex 197.19(BP est) 18.84(MP est) ----(BP exp) -16.50(MP exp) SCC(O)=O -16.5ExptY(Guo et al. 2013)
O=S(O)C=C316992.112C2H4O2Sethenesulfinic acidN95O=S(O)C=CInChI=1S/C2H4O2S/c1-2-5(3)4/h2H,1H2,(H,3,4)InChIKey=HPTMZNZYFRTOKS-UHFFFAOYSA-N220.9Ex 220.85(BP est) 6.74(MP est) ----(BP exp) ----(MP exp) O=S(O)C=C 6.7PredN
OC(=O)SC317092.112C2H4O2SS-methyl O-hydrogen carbonothioateN95OC(=O)SCInChI=1S/C2H4O2S/c1-5-2(3)4/h1H3,(H,3,4)InChIKey=LIXKZGGCFHBXNJ-UHFFFAOYSA-N185.0Ex 185.00(BP est) 14.25(MP est) ----(BP exp) ----(MP exp) OC(=O)SC 14.3PredN
C(F)OC(CC)317192.1134C4H9FO1-(fluoromethoxy)propaneN156C(F)OC(CC)InChI=1S/C4H9FO/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=HVEZVTQIWWSBNZ-UHFFFAOYSA-N49.6Ex 49.55(BP est) -100.11(MP est) ----(BP exp) ----(MP exp) C(F)OC(CC) -100.1PredN
C(C)OC(F)(C)317292.1134C4H9FO1-ethoxy-1-fluoroethaneN156C(C)OC(F)(C)InChI=1S/C4H9FO/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=CYUQJPJWRHPBPI-UHFFFAOYSA-N33.8Ex 33.80(BP est) -112.21(MP est) ----(BP exp) ----(MP exp) C(C)OC(F)(C) -112.2PredN
C(C)OC(CF)317392.1134C4H9FO1-ethoxy-2-fluoroethaneN156C(C)OC(CF)InChI=1S/C4H9FO/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=WIQLYQAPUOHSFI-UHFFFAOYSA-N49.6Ex 49.55(BP est) -100.11(MP est) ----(BP exp) ----(MP exp) C(C)OC(CF) -100.1PredN
COC(F)(CC)317492.1134C4H9FO1-fluoro-1-methoxypropaneN156COC(F)(CC)InChI=1S/C4H9FO/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=IUXLVNBMWLCZFO-UHFFFAOYSA-N33.8Ex 33.80(BP est) -112.21(MP est) ----(BP exp) ----(MP exp) COC(F)(CC) -112.2PredN
COC(C)(CF)317592.1134C4H9FO1-fluoro-2-methoxypropaneN156COC(C)(CF)InChI=1S/C4H9FO/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=JHOFOYLFVCONFW-UHFFFAOYSA-N33.8Ex 33.80(BP est) -112.21(MP est) ----(BP exp) ----(MP exp) COC(C)(CF) -112.2PredN
OC(F)C(C)(C)317692.1134C4H9FO1-fluoro-2-methylpropan-1-olN156OC(F)C(C)(C)InChI=1S/C4H9FO/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=FPONUETYPYWBAD-UHFFFAOYSA-N79.4Ex 79.36(BP est) -87.12(MP est) ----(BP exp) ----(MP exp) OC(F)C(C)(C) -87.1PredN
OC(C)(C)(CF)317792.1134C4H9FO1-fluoro-2-methylpropan-2-olN156OC(C)(C)(CF)InChI=1S/C4H9FO/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=GVEMIUUOJFZCOD-UHFFFAOYSA-N72.9Ex 72.87(BP est) -72.80(MP est) ----(BP exp) ----(MP exp) OC(C)(C)(CF) -72.8PredN
COC(CCF)317892.1134C4H9FO1-fluoro-3-methoxypropaneN156COC(CCF)InChI=1S/C4H9FO/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=DLWJCJGOUGICLT-UHFFFAOYSA-N49.6Ex 49.55(BP est) -100.11(MP est) ----(BP exp) ----(MP exp) COC(CCF) -100.1PredN
OC(F)(CCC)317992.1134C4H9FO1-fluorobutan-1-olN156OC(F)(CCC)InChI=1S/C4H9FO/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=LPJITDYKVUMUHL-UHFFFAOYSA-N94.1Ex 94.14(BP est) -75.30(MP est) ----(BP exp) ----(MP exp) OC(F)(CCC) -75.3PredN
OC(CF)(CC)318092.1134C4H9FO1-fluorobutan-2-olN156OC(CF)(CC)InChI=1S/C4H9FO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=MPGNSGYTEYWFIS-UHFFFAOYSA-N94.1Ex 94.14(BP est) -75.30(MP est) ----(BP exp) ----(MP exp) OC(CF)(CC) -75.3PredN
C(F)OC(C)(C)318192.1134C4H9FO2-(fluoromethoxy)propaneN156C(F)OC(C)(C)InChI=1S/C4H9FO/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=DIRQDICNCZGXME-UHFFFAOYSA-N59.0Ex 33.80(BP est) -112.21(MP est) ----(BP exp) ----(MP exp) C(F)OC(C)(C) -112.2PredN
COC(C(F)C)318292.1134C4H9FO2-fluoro-1-methoxypropaneN156COC(C(F)C)InChI=1S/C4H9FO/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=IINJUNCYXOVPGN-UHFFFAOYSA-N45.0Ex 33.80(BP est) -112.21(MP est) ----(BP exp) ----(MP exp) COC(C(F)C) -112.2PredN
COC(F)(C)(C)318392.1134C4H9FO2-fluoro-2-methoxypropaneN156COC(F)(C)(C)InChI=1S/C4H9FO/c1-4(2,5)6-3/h1-3H3InChIKey=BPRTUWKUJRPYLH-UHFFFAOYSA-N23.3Ex 23.27(BP est) -106.58(MP est) ----(BP exp) ----(MP exp) COC(F)(C)(C) -106.6PredN
OCC(F)(C)(C)318492.1134C4H9FO2-fluoro-2-methylpropan-1-olN156OCC(F)(C)(C)InChI=1S/C4H9FO/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=VQDNMKWCOYVVJH-UHFFFAOYSA-N92.4Ex 92.36(BP est) -67.11(MP est) ----(BP exp) ----(MP exp) OCC(F)(C)(C) -67.1PredN
OC(C(F)CC)318592.1134C4H9FO2-fluorobutan-1-olN156OC(C(F)CC)InChI=1S/C4H9FO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=BLYSPQXGKZNMJA-UHFFFAOYSA-N101.9Ex 101.93(BP est) -73.03(MP est) ----(BP exp) ----(MP exp) OC(C(F)CC) -73PredN
OC(F)(C)(CC)318692.1134C4H9FO2-fluorobutan-2-olN156OC(F)(C)(CC)InChI=1S/C4H9FO/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=YGSHXHJSEUEFDZ-UHFFFAOYSA-N72.9Ex 72.87(BP est) -72.80(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(CC) -72.8PredN
OCC(C)(CF)318792.1134C4H9FO3-fluoro-2-methylpropan-1-olN156OCC(C)(CF)InChI=1S/C4H9FO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=HRPXBIFMRWNHRU-UHFFFAOYSA-N101.9Ex 101.93(BP est) -73.03(MP est) ----(BP exp) ----(MP exp) OCC(C)(CF) -73PredN
OC(CC(F)C)318892.1134C4H9FO3-fluorobutan-1-olN156OC(CC(F)C)InChI=1S/C4H9FO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=YSAZHINBXCWZTE-UHFFFAOYSA-N101.9Ex 101.93(BP est) -73.03(MP est) ----(BP exp) ----(MP exp) OC(CC(F)C) -73PredN
OC(C)(C(F)C)318992.1134C4H9FO3-fluorobutan-2-olN156OC(C)(C(F)C)InChI=1S/C4H9FO/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=KUOMEPXVIPTJJX-UHFFFAOYSA-N79.4Ex 79.36(BP est) -87.12(MP est) ----(BP exp) ----(MP exp) OC(C)(C(F)C) -87.1PredN
OC(CCCF)319092.1134C4H9FO4-fluorobutan-1-olN156OC(CCCF)InChI=1S/C4H9FO/c5-3-1-2-4-6/h6H,1-4H2InChIKey=SHOBGSRUFRALBO-UHFFFAOYSA-N129.4Ex 116.20(BP est) -61.36(MP est) ----(BP exp) ----(MP exp) OC(CCCF) -61.4PredN
OC(C)(CCF)319192.1134C4H9FO4-fluorobutan-2-olN156OC(C)(CCF)InChI=1S/C4H9FO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=PEAJLEGVRQOZNV-UHFFFAOYSA-N94.1Ex 94.14(BP est) -75.30(MP est) ----(BP exp) ----(MP exp) OC(C)(CCF) -75.3PredN
S=C(N)NO319292.116CH4N2OS1-hydroxythioureaN95S=C(N)NOInChI=1S/CH4N2OS/c2-1(5)3-4/h4H,(H3,2,3,5)InChIKey=QFUVRXBMUCPEMV-UHFFFAOYSA-N232.1Ex 232.08(BP est) 42.22(MP est) ----(BP exp) ----(MP exp) S=C(N)NO 42.2PredN
NC(=O)NS319392.116CH4N2OS1-mercaptoureaN95NC(=O)NSInChI=1S/CH4N2OS/c2-1(4)3-5/h5H,(H3,2,3,4)InChIKey=SSGGNFYQMRDXFH-UHFFFAOYSA-N226.2Ex 226.24(BP est) 38.69(MP est) ----(BP exp) ----(MP exp) NC(=O)NS 38.7PredN
NNC(C)(CF)319492.1174C3H9FN2(1-fluoropropan-2-yl)hydrazineN156NNC(C)(CF)InChI=1S/C3H9FN2/c1-3(2-4)6-5/h3,6H,2,5H2,1H3InChIKey=QPWMPCFDUIOFHG-UHFFFAOYSA-N96.6Ex 96.55(BP est) -42.68(MP est) ----(BP exp) ----(MP exp) NNC(C)(CF) -42.7PredN
NNC(F)(CC)319592.1174C3H9FN2(1-fluoropropyl)hydrazineN156NNC(F)(CC)InChI=1S/C3H9FN2/c1-2-3(4)6-5/h3,6H,2,5H2,1H3InChIKey=LNMAEIJQRQUODD-UHFFFAOYSA-N96.6Ex 96.55(BP est) -42.68(MP est) ----(BP exp) ----(MP exp) NNC(F)(CC) -42.7PredN
NNC(F)(C)(C)319692.1174C3H9FN2(2-fluoropropan-2-yl)hydrazineN156NNC(F)(C)(C)InChI=1S/C3H9FN2/c1-3(2,4)6-5/h6H,5H2,1-2H3InChIKey=VIJPZCSSLVKPMN-UHFFFAOYSA-N86.9Ex 86.90(BP est) -36.79(MP est) ----(BP exp) ----(MP exp) NNC(F)(C)(C) -36.8PredN
NNC(C(F)C)319792.1174C3H9FN2(2-fluoropropyl)hydrazineN156NNC(C(F)C)InChI=1S/C3H9FN2/c1-3(4)2-6-5/h3,6H,2,5H2,1H3InChIKey=YNHUSQCAXHILFM-UHFFFAOYSA-N96.6Ex 96.55(BP est) -42.68(MP est) ----(BP exp) ----(MP exp) NNC(C(F)C) -42.7PredN
NNC(CCF)319892.1174C3H9FN2(3-fluoropropyl)hydrazineN156NNC(CCF)InChI=1S/C3H9FN2/c4-2-1-3-6-5/h6H,1-3,5H2InChIKey=YDWPRPIDTVBXHJ-UHFFFAOYSA-N110.9Ex 110.94(BP est) -30.98(MP est) ----(BP exp) ----(MP exp) NNC(CCF) -31PredN
CN(C(F)(C))N319992.1174C3H9FN21-(1-fluoroethyl)-1-methylhydrazineN156CN(C(F)(C))NInChI=1S/C3H9FN2/c1-3(4)6(2)5/h3H,5H2,1-2H3InChIKey=DTBNGHYCWVZEQX-UHFFFAOYSA-N74.5Ex 74.50(BP est) -59.22(MP est) ----(BP exp) ----(MP exp) CN(C(F)(C))N -59.2PredN
CNNC(F)(C)320092.1174C3H9FN21-(1-fluoroethyl)-2-methylhydrazineN156CNNC(F)(C)InChI=1S/C3H9FN2/c1-3(4)6-5-2/h3,5-6H,1-2H3InChIKey=AEZHURISGPPGFW-UHFFFAOYSA-N77.4Ex 77.38(BP est) -63.58(MP est) ----(BP exp) ----(MP exp) CNNC(F)(C) -63.6PredN
CN(C(CF))N320192.1174C3H9FN21-(2-fluoroethyl)-1-methylhydrazineN156CN(C(CF))NInChI=1S/C3H9FN2/c1-6(5)3-2-4/h2-3,5H2,1H3InChIKey=IAZGGRMEMVVKKI-UHFFFAOYSA-N89.4Ex 89.39(BP est) -47.37(MP est) ----(BP exp) ----(MP exp) CN(C(CF))N -47.4PredN
CNNC(CF)320292.1174C3H9FN21-(2-fluoroethyl)-2-methylhydrazineN156CNNC(CF)InChI=1S/C3H9FN2/c1-5-6-3-2-4/h5-6H,2-3H2,1H3InChIKey=VYSBVQCTNPYTLT-UHFFFAOYSA-N92.2Ex 92.20(BP est) -51.75(MP est) ----(BP exp) ----(MP exp) CNNC(CF) -51.8PredN
CN(C(F))NC320392.1174C3H9FN21-(fluoromethyl)-1,2-dimethylhydrazineN156CN(C(F))NCInChI=1S/C3H9FN2/c1-5-6(2)3-4/h5H,3H2,1-2H3InChIKey=TYFQLRATRLJCCO-UHFFFAOYSA-N70.0Ex 70.01(BP est) -68.33(MP est) ----(BP exp) ----(MP exp) CN(C(F))NC -68.3PredN
C(F)N(C(C))N320492.1174C3H9FN21-ethyl-1-(fluoromethyl)hydrazineN156C(F)N(C(C))NInChI=1S/C3H9FN2/c1-2-6(5)3-4/h2-3,5H2,1H3InChIKey=VODRFJROOXDEBV-UHFFFAOYSA-N89.4Ex 89.39(BP est) -47.37(MP est) ----(BP exp) ----(MP exp) C(F)N(C(C))N -47.4PredN
C(F)NNC(C)320592.1174C3H9FN21-ethyl-2-(fluoromethyl)hydrazineN156C(F)NNC(C)InChI=1S/C3H9FN2/c1-2-5-6-3-4/h5-6H,2-3H2,1H3InChIKey=MCSSWRVRCHSOFD-UHFFFAOYSA-N92.2Ex 92.20(BP est) -51.75(MP est) ----(BP exp) ----(MP exp) C(F)NNC(C) -51.8PredN
CN(C)NC(F)320692.1174C3H9FN22-(fluoromethyl)-1,1-dimethylhydrazineN156CN(C)NC(F)InChI=1S/C3H9FN2/c1-6(2)5-3-4/h5H,3H2,1-2H3InChIKey=QXYHYADHNLWTFN-UHFFFAOYSA-N70.0Ex 70.01(BP est) -68.33(MP est) ----(BP exp) ----(MP exp) CN(C)NC(F) -68.3PredN
CSC(F)=C320792.1314C3H5FS(1-fluorovinyl)(methyl)sulfaneN105CSC(F)=CInChI=1S/C3H5FS/c1-3(4)5-2/h1H2,2H3InChIKey=VZPHPVNKTSNSJS-UHFFFAOYSA-N61.9Ex 61.85(BP est) -103.93(MP est) ----(BP exp) ----(MP exp) CSC(F)=C -103.9PredN
CSC=C(F)320892.1314C3H5FS(2-fluorovinyl)(methyl)sulfaneN105CSC=C(F)InChI=1S/C3H5FS/c1-5-3-2-4/h2-3H,1H3InChIKey=CADNNZSOQRVIHZ-UHFFFAOYSA-N78.3Ex 78.32(BP est) -93.80(MP est) ----(BP exp) ----(MP exp) CSC=C(F) -93.8PredN
C(F)SC=C320992.1314C3H5FS(fluoromethyl)(vinyl)sulfaneN105C(F)SC=CInChI=1S/C3H5FS/c1-2-5-3-4/h2H,1,3H2InChIKey=VILMOIFDEBCLSG-UHFFFAOYSA-N68.8Ex 68.75(BP est) -94.94(MP est) ----(BP exp) ----(MP exp) C(F)SC=C -94.9PredN
SC(F)(C1)(C1)321092.1314C3H5FS1-fluorocyclopropane-1-thiolN105SC(F)(C1)(C1)InChI=1S/C3H5FS/c4-3(5)1-2-3/h5H,1-2H2InChIKey=CIOKRBWVOPLIQP-UHFFFAOYSA-N76.7Ex 76.69(BP est) -69.79(MP est) ----(BP exp) ----(MP exp) SC(F)(C1)(C1) -69.8PredN
SC(F)(C=C)321192.1314C3H5FS1-fluoroprop-2-ene-1-thiolN105SC(F)(C=C)InChI=1S/C3H5FS/c1-2-3(4)5/h2-3,5H,1H2InChIKey=BMFFKIJDVJJCMH-UHFFFAOYSA-N68.7Ex 68.68(BP est) -101.43(MP est) ----(BP exp) ----(MP exp) SC(F)(C=C) -101.4PredN
FCC1CS1321292.1314C3H5FS2-(fluoromethyl)thiiraneN105FCC1CS1InChI=1S/C3H5FS/c4-1-3-2-5-3/h3H,1-2H2InChIKey=VJGWFIRASNSXFU-UHFFFAOYSA-N72.2Ex 72.17(BP est) -62.57(MP est) ----(BP exp) ----(MP exp) FCC1CS1 -62.6PredN
FC1(C)CS1321392.1314C3H5FS2-fluoro-2-methylthiiraneN105FC1(C)CS1InChI=1S/C3H5FS/c1-3(4)2-5-3/h2H2,1H3InChIKey=OUEOSTJSULOGNS-UHFFFAOYSA-N58.8Ex 58.82(BP est) -54.51(MP est) ----(BP exp) ----(MP exp) FC1(C)CS1 -54.5PredN
FC1C(C)S1321492.1314C3H5FS2-fluoro-3-methylthiiraneN105FC1C(C)S1InChI=1S/C3H5FS/c1-2-3(4)5-2/h2-3H,1H3InChIKey=YSAGLSBSQBRJMR-UHFFFAOYSA-N64.9Ex 64.87(BP est) -66.82(MP est) ----(BP exp) ----(MP exp) FC1C(C)S1 -66.8PredN
SC(C1)(C1F)321592.1314C3H5FS2-fluorocyclopropane-1-thiolN105SC(C1)(C1F)InChI=1S/C3H5FS/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=MIHIVKLIRQXSAK-UHFFFAOYSA-N82.6Ex 82.58(BP est) -82.14(MP est) ----(BP exp) ----(MP exp) SC(C1)(C1F) -82.1PredN
SC(C(F)=C)321692.1314C3H5FS2-fluoroprop-2-ene-1-thiolN105SC(C(F)=C)InChI=1S/C3H5FS/c1-3(4)2-5/h5H,1-2H2InChIKey=FPHLSWGRXAQUDA-UHFFFAOYSA-N76.9Ex 76.94(BP est) -98.50(MP est) ----(BP exp) ----(MP exp) SC(C(F)=C) -98.5PredN
FC1SCC1321792.1314C3H5FS2-fluorothietaneN105FC1SCC1InChI=1S/C3H5FS/c4-3-1-2-5-3/h3H,1-2H2InChIKey=CRMCGLWHWRPYOB-UHFFFAOYSA-N74.5Ex 74.46(BP est) -63.66(MP est) ----(BP exp) ----(MP exp) FC1SCC1 -63.7PredN
SC(C=CF)321892.1314C3H5FS3-fluoroprop-2-ene-1-thiolN105SC(C=CF)InChI=1S/C3H5FS/c4-2-1-3-5/h1-2,5H,3H2InChIKey=FGKJVFATCJQEOW-UHFFFAOYSA-N93.1Ex 93.06(BP est) -88.47(MP est) ----(BP exp) ----(MP exp) SC(C=CF) -88.5PredN
FC1CSC1321992.1314C3H5FS3-fluorothietaneN105FC1CSC1InChI=1S/C3H5FS/c4-3-1-5-2-3/h3H,1-2H2InChIKey=SONJZGIZPLLFQG-UHFFFAOYSA-N74.5Ex 74.46(BP est) -63.66(MP est) ----(BP exp) ----(MP exp) FC1CSC1 -63.7PredN
F[Si]1(O)CC1322092.1444C2H5FOSi1-fluorosiliran-1-olN105F[Si]1(O)CC1InChI=1S/C2H5FOSi/c3-5(4)1-2-5/h4H,1-2H2InChIKey=GERCYUKDBNJWIE-UHFFFAOYSA-N80.0Ex 80.01(BP est) -25.92(MP est) ----(BP exp) ----(MP exp) F[Si]1(O)CC1 -25.9PredN
SCC(C)O322192.156C3H8OS1-mercaptopropan-2-olN135SCC(C)OInChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3InChIKey=FETFXNFGOYOOSP-UHFFFAOYSA-N149.0Ex 149.02(BP est) -46.98(MP est) ----(BP exp) ----(MP exp) SCC(C)O -47PredN
OCCSC322292.156C3H8OS2-(methylthio)ethan-1-olN135OCCSCInChI=1S/C3H8OS/c1-5-3-2-4/h4H,2-3H2,1H3InChIKey=WBBPRCNXBQTYLF-UHFFFAOYSA-N170.0Ex 156.19(BP est) -38.42(MP est) ----(BP exp) ----(MP exp) OCCSC -38.4PredY(The Good Scents Company , Schulz and Dickschat 2007, Wishart et al. 2013)
SC(C)CO322392.156C3H8OS2-mercaptopropan-1-olN135SC(C)COInChI=1S/C3H8OS/c1-3(5)2-4/h3-5H,2H2,1H3InChIKey=QNNVICQPXUUBSN-UHFFFAOYSA-N156.1Ex 156.12(BP est) -44.91(MP est) ----(BP exp) ----(MP exp) SC(C)CO -44.9PredN
SCCOC322492.156C3H8OS2-methoxyethane-1-thiolN135SCCOCInChI=1S/C3H8OS/c1-4-2-3-5/h5H,2-3H2,1H3InChIKey=VHXDADVHQVXSKC-UHFFFAOYSA-N108.3Ex 108.25(BP est) -70.68(MP est) ----(BP exp) ----(MP exp) SCCOC -70.7PredN
SCCCO322592.156C3H8OS3-mercaptopropan-1-olN135SCCCOInChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2InChIKey=SHLSSLVZXJBVHE-UHFFFAOYSA-N169.1Ex 169.11(BP est) -33.62(MP est) ----(BP exp) ----(MP exp) SCCCO -33.6PredY(39, 74) (Burdock and Fenaroli 2010, Gu et al. 2013)
CCCSO322692.156C3H8OSpropylsulfanolN135CCCSOInChI=1S/C3H8OS/c1-2-3-5-4/h4H,2-3H2,1H3InChIKey=LYNBNVDYPNEWHG-UHFFFAOYSA-N172.0Ex 171.98(BP est) -33.81(MP est) ----(BP exp) ----(MP exp) CCCSO -33.8PredY(Wishart et al. 2013)
N=S(=N)(C)C323192.16C2H8N2Sdimethyl-lambda6-sulfanediimineN135N=S(=N)(C)CInChI=1S/C2H8N2S/c1-5(2,3)4/h3-4H,1-2H3InChIKey=YVEUHSWFOYPLLX-UHFFFAOYSA-N184.1Ex 184.11(BP est) 2.60(MP est) ----(BP exp) ----(MP exp) N=S(=N)(C)C 2.6PredN
S1CSC1323292.174C2H4S21,3-dithietaneN84S1CSC1InChI=1S/C2H4S2/c1-3-2-4-1/h1-2H2InChIKey=ITXACGPMGJCSKF-UHFFFAOYSA-N121.4Ex 121.41(BP est) -15.04(MP est) ----(BP exp) ----(MP exp) S1CSC1 -15PredY(Schulz and Dickschat 2007, Dickschat 2014)
S=C(S)C323392.174C2H4S2ethanedithioic acidN84S=C(S)CInChI=1S/C2H4S2/c1-2(3)4/h1H3,(H,3,4)InChIKey=ZEUUVJSRINKECZ-UHFFFAOYSA-N139.4Ex 139.35(BP est) -38.98(MP est) ----(BP exp) ----(MP exp) S=C(S)C -39PredN
SC=CS323592.174C2H4S2ethene-1,2-dithiolN84SC=CSInChI=1S/C2H4S2/c3-1-2-4/h1-4HInChIKey=RLYTZHQLDITXLO-UHFFFAOYSA-N148.0Ex 148.04(BP est) -60.12(MP est) ----(BP exp) ----(MP exp) SC=CS -60.1PredN
F[Si](C)(C)C323692.1884C3H9FSifluorotrimethylsilaneN145F[Si](C)(C)CInChI=1S/C3H9FSi/c1-5(2,3)4/h1-3H3InChIKey=CTIKAHQFRQTTAY-UHFFFAOYSA-N16.8Ex -5.68(BP est) -129.06(MP est) ----(BP exp) ----(MP exp) F[Si](C)(C)C -129.1PredN
ClC(C1)=C1F323892.4974C3H2ClF1-chloro-2-fluorocycloprop-1-eneN75ClC(C1)=C1FInChI=1S/C3H2ClF/c4-2-1-3(2)5/h1H2InChIKey=CXDRNILZNRQNDN-UHFFFAOYSA-N46.5Ex 46.45(BP est) -78.82(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1F -78.8PredN
ClC1=CC1F323992.4974C3H2ClF1-chloro-3-fluorocycloprop-1-eneN75ClC1=CC1FInChI=1S/C3H2ClF/c4-2-1-3(2)5/h1,3HInChIKey=HMAJTLZPDFMGAR-UHFFFAOYSA-N41.1Ex 41.13(BP est) -88.75(MP est) ----(BP exp) ----(MP exp) ClC1=CC1F -88.8PredN
C(F)(C#CCl)324092.4974C3H2ClF1-chloro-3-fluoroprop-1-yneN75C(F)(C#CCl)InChI=1S/C3H2ClF/c4-2-1-3-5/h3H2InChIKey=KZXUVJTXOSVQPL-UHFFFAOYSA-N54.3Ex 54.32(BP est) -47.46(MP est) ----(BP exp) ----(MP exp) C(F)(C#CCl) -47.5PredN
FC1=CC1Cl324192.4974C3H2ClF3-chloro-1-fluorocycloprop-1-eneN75FC1=CC1ClInChI=1S/C3H2ClF/c4-2-1-3(2)5/h1-2HInChIKey=JQCBSIGRCIMONN-UHFFFAOYSA-N57.5Ex 57.50(BP est) -83.97(MP est) ----(BP exp) ----(MP exp) FC1=CC1Cl -84PredN
C(Cl)(C#CF)324292.4974C3H2ClF3-chloro-1-fluoroprop-1-yneN75C(Cl)(C#CF)InChI=1S/C3H2ClF/c4-2-1-3-5/h2H2InChIKey=XMJLJNFILJYBPG-UHFFFAOYSA-N84.0Ex 83.97(BP est) -38.81(MP est) ----(BP exp) ----(MP exp) C(Cl)(C#CF) -38.8PredN
ClC1(F)C=C1324392.4974C3H2ClF3-chloro-3-fluorocycloprop-1-eneN75ClC1(F)C=C1InChI=1S/C3H2ClF/c4-3(5)1-2-3/h1-2HInChIKey=AYHVEXCFBZJDTL-UHFFFAOYSA-N31.9Ex 31.85(BP est) -85.77(MP est) ----(BP exp) ----(MP exp) ClC1(F)C=C1 -85.8PredN
C(Cl)(F)(C#C)324492.4974C3H2ClF3-chloro-3-fluoroprop-1-yneN75C(Cl)(F)(C#C)InChI=1S/C3H2ClF/c1-2-3(4)5/h1,3HInChIKey=HWLJTYCNOFTUSJ-UHFFFAOYSA-N45.5Ex 45.45(BP est) -87.12(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C#C) -87.1PredN
ClCOC=C324592.522C3H5ClO(chloromethoxy)etheneN105ClCOC=CInChI=1S/C3H5ClO/c1-2-5-3-4/h2H,1,3H2InChIKey=STZUMARNGFQGPH-UHFFFAOYSA-N87.5Ex 87.46(BP est) -80.90(MP est) ----(BP exp) ----(MP exp) ClCOC=C -80.9PredN
COC(Cl)=C324692.522C3H5ClO1-chloro-1-methoxyetheneN105COC(Cl)=CInChI=1S/C3H5ClO/c1-3(4)5-2/h1H2,2H3InChIKey=FGHGCTWNWNRCIS-UHFFFAOYSA-N51.0Ex 50.95(BP est) -98.54(MP est) ----(BP exp) ----(MP exp) COC(Cl)=C -98.5PredN
COC=CCl324792.522C3H5ClO1-chloro-2-methoxyetheneN105COC=CClInChI=1S/C3H5ClO/c1-5-3-2-4/h2-3H,1H3InChIKey=QBMJPHAEZNVUOH-UHFFFAOYSA-N67.7Ex 67.67(BP est) -88.33(MP est) ----(BP exp) ----(MP exp) COC=CCl -88.3PredN
OC1(CC1)Cl324892.522C3H5ClO1-chlorocyclopropan-1-olN105OC1(CC1)ClInChI=1S/C3H5ClO/c4-3(5)1-2-3/h5H,1-2H2InChIKey=CXGIZEJRTCXMCL-UHFFFAOYSA-N100.6Ex 100.62(BP est) -35.96(MP est) ----(BP exp) ----(MP exp) OC1(CC1)Cl -36PredN
OC(C=C)Cl324992.522C3H5ClO1-chloroprop-2-en-1-olN105OC(C=C)ClInChI=1S/C3H5ClO/c1-2-3(4)5/h2-3,5H,1H2InChIKey=WSVPHWSCNWENKE-UHFFFAOYSA-N117.0Ex 117.00(BP est) -60.48(MP est) ----(BP exp) ----(MP exp) OC(C=C)Cl -60.5PredN
CC(CCl)=O325092.522C3H5ClO1-chloropropan-2-oneN105CC(CCl)=OInChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3InChIKey=BULLHNJGPPOUOX-UHFFFAOYSA-N119.1Ex 111.24(BP est) -59.22(MP est) 119.00(BP exp) -44.50(MP exp) CC(CCl)=O -44.5ExptY(Kladi et al. 2004)
ClCC1CO1325192.522C3H5ClO2-(chloromethyl)oxiraneN105ClCC1CO1InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2InChIKey=BRLQWZUYTZBJKN-UHFFFAOYSA-N116.6Ex 99.01(BP est) -65.50(MP est) 117.00(BP exp) -26.00(MP exp) ClCC1CO1 -26ExptN
ClC1(C)CO1325292.522C3H5ClO2-chloro-2-methyloxiraneN105ClC1(C)CO1InChI=1S/C3H5ClO/c1-3(4)2-5-3/h2H2,1H3InChIKey=RRUZNUBGRZKRNR-UHFFFAOYSA-N58.9Ex 58.91(BP est) -65.26(MP est) ----(BP exp) ----(MP exp) ClC1(C)CO1 -65.3PredN
ClC1C(C)O1325392.522C3H5ClO2-chloro-3-methyloxiraneN105ClC1C(C)O1InChI=1S/C3H5ClO/c1-2-3(4)5-2/h2-3H,1H3InChIKey=LRWZZZWJMFNZIK-UHFFFAOYSA-N78.6Ex 78.59(BP est) -73.59(MP est) ----(BP exp) ----(MP exp) ClC1C(C)O1 -73.6PredN
OC1CC1Cl325492.522C3H5ClO2-chlorocyclopropan-1-olN105OC1CC1ClInChI=1S/C3H5ClO/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=FPRZZQZXVVNHMP-UHFFFAOYSA-N129.9Ex 129.90(BP est) -41.48(MP est) ----(BP exp) ----(MP exp) OC1CC1Cl -41.5PredN
ClC1OCC1325592.522C3H5ClO2-chlorooxetaneN105ClC1OCC1InChI=1S/C3H5ClO/c4-3-1-2-5-3/h3H,1-2H2InChIKey=FYJAOEPOQBGVHD-UHFFFAOYSA-N88.0Ex 87.99(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) ClC1OCC1 -70.5PredN
OCC(Cl)=C325692.522C3H5ClO2-chloroprop-2-en-1-olN105OCC(Cl)=CInChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2InChIKey=OSCXYTRISGREIM-UHFFFAOYSA-N117.5Ex 117.47(BP est) -59.82(MP est) ----(BP exp) ----(MP exp) OCC(Cl)=C -59.8PredN
O=CC(C)Cl325792.522C3H5ClO2-chloropropanalN105O=CC(C)ClInChI=1S/C3H5ClO/c1-3(4)2-5/h2-3H,1H3InChIKey=UAARVZGODBESIF-UHFFFAOYSA-N86.0Ex 97.72(BP est) -74.64(MP est) ----(BP exp) ----(MP exp) O=CC(C)Cl -74.6PredN
ClC1COC1325892.522C3H5ClO3-chlorooxetaneN105ClC1COC1InChI=1S/C3H5ClO/c4-3-1-5-2-3/h3H,1-2H2InChIKey=JHXMBKTYQFGDQM-UHFFFAOYSA-N88.0Ex 87.99(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) ClC1COC1 -70.5PredN
OC(C=CCl)325992.522C3H5ClO3-chloroprop-2-en-1-olN105OC(C=CCl)InChI=1S/C3H5ClO/c4-2-1-3-5/h1-2,5H,3H2InChIKey=HJGHXDNIPAWLLE-UHFFFAOYSA-N132.6Ex 132.59(BP est) -50.09(MP est) ----(BP exp) ----(MP exp) OC(C=CCl) -50.1PredN
O=CCCCl326092.522C3H5ClO3-chloropropanalN105O=CCCClInChI=1S/C3H5ClO/c4-2-1-3-5/h3H,1-2H2InChIKey=FFDNRFMIOVQZMT-UHFFFAOYSA-N116.0Ex 124.82(BP est) -59.22(MP est) 130.00(BP exp) ----(MP exp) O=CCCCl -59.2PredN
ClC1=CS1326192.54C2HClS2-chlorothiireneN54ClC1=CS1InChI=1S/C2HClS/c3-2-1-4-2/h1HInChIKey=LBMIEUCPERXWHF-UHFFFAOYSA-N90.4Ex 90.38(BP est) -39.46(MP est) ----(BP exp) ----(MP exp) ClC1=CS1 -39.5PredN
CC(CCl)C326292.566C4H9Cl1-chloro-2-methylpropaneN145CC(CCl)CInChI=1S/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3InChIKey=QTBFPMKWQKYFLR-UHFFFAOYSA-N68.1Ex 73.43(BP est) -97.09(MP est) 68.50(BP exp) -130.30(MP exp) CC(CCl)C -130.3ExptN
CCCCCl326392.566C4H9Cl1-chlorobutaneN145CCCCClInChI=1S/C4H9Cl/c1-2-3-4-5/h2-4H2,1H3InChIKey=VFWCMGCRMGJXDK-UHFFFAOYSA-N78.1Ex 88.34(BP est) -85.24(MP est) 78.60(BP exp) -123.10(MP exp) CCCCCl -123.1ExptN
ClC(C)(C)C326492.566C4H9Cl2-chloro-2-methylpropaneN145ClC(C)(C)CInChI=1S/C4H9Cl/c1-4(2,3)5/h1-3H3InChIKey=NBRKLOOSMBRFMH-UHFFFAOYSA-N50.6Ex 35.26(BP est) -99.53(MP est) 50.00(BP exp) -26.00(MP exp) ClC(C)(C)C -26ExptN
CCC(C)Cl326592.566C4H9Cl2-chlorobutaneN145CCC(C)ClInChI=1S/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3InChIKey=BSPCSKHALVHRSR-UHFFFAOYSA-N68.2Ex 59.64(BP est) -101.12(MP est) 68.00(BP exp) -140.00(MP exp) CCC(C)Cl -140ExptN
FB(F)N(C)C326892.8838C2H6BF2N1,1-difluoro-N,N-dimethylboranamineN126FB(F)N(C)CInChI=1S/C2H6BF2N/c1-6(2)3(4)5/h1-2H3InChIKey=DXENZWIFINIZCM-UHFFFAOYSA-N-4.5Ex -4.53(BP est) -127.44(MP est) ----(BP exp) ----(MP exp) FB(F)N(C)C -127.4PredN
NC(F)(F)(C=C)327193.0768C3H5F2N1,1-difluoroprop-2-en-1-amineN116NC(F)(F)(C=C)InChI=1S/C3H5F2N/c1-2-3(4,5)6/h2H,1,6H2InChIKey=PSMAOTYGXGLWMS-UHFFFAOYSA-N40.1Ex 40.10(BP est) -77.37(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(C=C) -77.4PredN
NC(F)(C1)(C1F)327293.0768C3H5F2N1,2-difluorocyclopropan-1-amineN116NC(F)(C1)(C1F)InChI=1S/C3H5F2N/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=ITRLFLDHPAUOBK-UHFFFAOYSA-N51.2Ex 51.18(BP est) -55.66(MP est) ----(BP exp) ----(MP exp) NC(F)(C1)(C1F) -55.7PredN
NC(F)(C(F)=C)327393.0768C3H5F2N1,2-difluoroprop-2-en-1-amineN116NC(F)(C(F)=C)InChI=1S/C3H5F2N/c1-2(4)3(5)6/h3H,1,6H2InChIKey=OBISYYLWAVDSLB-UHFFFAOYSA-N43.3Ex 43.32(BP est) -92.12(MP est) ----(BP exp) ----(MP exp) NC(F)(C(F)=C) -92.1PredN
NC(F)(C=CF)327493.0768C3H5F2N1,3-difluoroprop-2-en-1-amineN116NC(F)(C=CF)InChI=1S/C3H5F2N/c4-2-1-3(5)6/h1-3H,6H2InChIKey=UFGCNLLHSSOJQC-UHFFFAOYSA-N60.2Ex 60.22(BP est) -81.86(MP est) ----(BP exp) ----(MP exp) NC(F)(C=CF) -81.9PredN
FC(F)C1CN1327593.0768C3H5F2N2-(difluoromethyl)aziridineN116FC(F)C1CN1InChI=1S/C3H5F2N/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=PEHAHZGXJVLKKY-UHFFFAOYSA-N55.7Ex 55.70(BP est) -60.79(MP est) ----(BP exp) ----(MP exp) FC(F)C1CN1 -60.8PredN
FC1(F)C(C)N1327693.0768C3H5F2N2,2-difluoro-3-methylaziridineN116FC1(F)C(C)N1InChI=1S/C3H5F2N/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=PPRMTYYADNAXSK-UHFFFAOYSA-N50.2Ex 50.18(BP est) -45.07(MP est) ----(BP exp) ----(MP exp) FC1(F)C(C)N1 -45.1PredN
FC1(F)NCC1327793.0768C3H5F2N2,2-difluoroazetidineN116FC1(F)NCC1InChI=1S/C3H5F2N/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=WROPAPHTEWTSOO-UHFFFAOYSA-N60.0Ex 59.97(BP est) -41.85(MP est) ----(BP exp) ----(MP exp) FC1(F)NCC1 -41.9PredN
NC(C1)(C1(F)F)327893.0768C3H5F2N2,2-difluorocyclopropan-1-amineN116NC(C1)(C1(F)F)InChI=1S/C3H5F2N/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=ZZZWPZNCTRVYMD-UHFFFAOYSA-N51.2Ex 51.18(BP est) -55.66(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(F)F) -55.7PredN
FC1C(F)(C)N1327993.0768C3H5F2N2,3-difluoro-2-methylaziridineN116FC1C(F)(C)N1InChI=1S/C3H5F2N/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=HPUZPGPBWNYYHE-UHFFFAOYSA-N50.2Ex 50.18(BP est) -45.07(MP est) ----(BP exp) ----(MP exp) FC1C(F)(C)N1 -45.1PredN
FC1NCC1F328093.0768C3H5F2N2,3-difluoroazetidineN116FC1NCC1FInChI=1S/C3H5F2N/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=PVUNXVAMKPTHKT-UHFFFAOYSA-N66.0Ex 66.00(BP est) -54.16(MP est) ----(BP exp) ----(MP exp) FC1NCC1F -54.2PredN
NC(C1F)(C1F)328193.0768C3H5F2N2,3-difluorocyclopropan-1-amineN116NC(C1F)(C1F)InChI=1S/C3H5F2N/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=WXLNCZVKOOLLNU-UHFFFAOYSA-N57.3Ex 57.29(BP est) -67.95(MP est) ----(BP exp) ----(MP exp) NC(C1F)(C1F) -68PredN
NC(C(F)=CF)328293.0768C3H5F2N2,3-difluoroprop-2-en-1-amineN116NC(C(F)=CF)InChI=1S/C3H5F2N/c4-1-3(5)2-6/h1H,2,6H2InChIKey=SHLIWPPSNGDEJV-UHFFFAOYSA-N68.6Ex 68.58(BP est) -78.90(MP est) ----(BP exp) ----(MP exp) NC(C(F)=CF) -78.9PredN
FC1CC(F)N1328393.0768C3H5F2N2,4-difluoroazetidineN116FC1CC(F)N1InChI=1S/C3H5F2N/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=MMTXRPDWBWRCJV-UHFFFAOYSA-N66.0Ex 66.00(BP est) -54.16(MP est) ----(BP exp) ----(MP exp) FC1CC(F)N1 -54.2PredN
FC1(CF)CN1328493.0768C3H5F2N2-fluoro-2-(fluoromethyl)aziridineN116FC1(CF)CN1InChI=1S/C3H5F2N/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=XGXWGJCGUJUSKX-UHFFFAOYSA-N57.6Ex 57.63(BP est) -40.78(MP est) ----(BP exp) ----(MP exp) FC1(CF)CN1 -40.8PredN
FC1C(CF)N1328593.0768C3H5F2N2-fluoro-3-(fluoromethyl)aziridineN116FC1C(CF)N1InChI=1S/C3H5F2N/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=UGFDNHCZPIFPLQ-UHFFFAOYSA-N63.7Ex 63.68(BP est) -53.08(MP est) ----(BP exp) ----(MP exp) FC1C(CF)N1 -53.1PredN
FC1(F)CNC1328693.0768C3H5F2N3,3-difluoroazetidineN116FC1(F)CNC1InChI=1S/C3H5F2N/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=QUHVRXKSQHIZNV-UHFFFAOYSA-N60.0Ex 59.97(BP est) -41.85(MP est) ----(BP exp) ----(MP exp) FC1(F)CNC1 -41.9PredN
NC(C=C(F)F)328793.0768C3H5F2N3,3-difluoroprop-2-en-1-amineN116NC(C=C(F)F)InChI=1S/C3H5F2N/c4-3(5)1-2-6/h1H,2,6H2InChIKey=NXDISQNMKXPILO-UHFFFAOYSA-N68.6Ex 68.58(BP est) -78.90(MP est) ----(BP exp) ----(MP exp) NC(C=C(F)F) -78.9PredN
[O-][N+](=O)SC328893.1CH3NO2SS-methyl nitrothioateN85[O-][N+](=O)SCInChI=1S/CH3NO2S/c1-5-2(3)4/h1H3InChIKey=VCCGBUKEASKHKV-UHFFFAOYSA-N135.2Ex 135.15(BP est) -14.43(MP est) ----(BP exp) ----(MP exp) [O-][N+](=O)SC -14.4PredN
NCOC(F)(C)328993.1014C3H8FNO(1-fluoroethoxy)methanamineN146NCOC(F)(C)InChI=1S/C3H8FNO/c1-3(4)6-2-5/h3H,2,5H2,1H3InChIKey=NWHCPDQCLKMBFV-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NCOC(F)(C) -63.9PredN
NCOC(CF)329093.1014C3H8FNO(2-fluoroethoxy)methanamineN146NCOC(CF)InChI=1S/C3H8FNO/c4-1-2-6-3-5/h1-3,5H2InChIKey=SVRJVTRASQDGHJ-UHFFFAOYSA-N91.0Ex 91.02(BP est) -52.01(MP est) ----(BP exp) ----(MP exp) NCOC(CF) -52PredN
NC(C)OC(F)329193.1014C3H8FNO1-(fluoromethoxy)ethan-1-amineN146NC(C)OC(F)InChI=1S/C3H8FNO/c1-3(5)6-2-4/h3H,2,5H2,1H3InChIKey=KNCSYVGQYFTHHA-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NC(C)OC(F) -63.9PredN
CNCOC(F)329293.1014C3H8FNO1-(fluoromethoxy)-N-methylmethanamineN146CNCOC(F)InChI=1S/C3H8FNO/c1-5-3-6-2-4/h5H,2-3H2,1H3InChIKey=FMPFDMHWVNYQDL-UHFFFAOYSA-N71.7Ex 71.69(BP est) -72.96(MP est) ----(BP exp) ----(MP exp) CNCOC(F) -73PredN
NC(F)C(O)(C)329393.1014C3H8FNO1-amino-1-fluoropropan-2-olN146NC(F)C(O)(C)InChI=1S/C3H8FNO/c1-2(6)3(4)5/h2-3,6H,5H2,1H3InChIKey=QGDVDNJBPCQVSZ-UHFFFAOYSA-N119.1Ex 119.07(BP est) -39.53(MP est) ----(BP exp) ----(MP exp) NC(F)C(O)(C) -39.5PredN
NCC(O)(F)(C)329493.1014C3H8FNO1-amino-2-fluoropropan-2-olN146NCC(O)(F)(C)InChI=1S/C3H8FNO/c1-3(4,6)2-5/h6H,2,5H2,1H3InChIKey=FHWVPOSMDXNRTH-UHFFFAOYSA-N113.0Ex 112.97(BP est) -25.10(MP est) ----(BP exp) ----(MP exp) NCC(O)(F)(C) -25.1PredN
NCC(O)(CF)329593.1014C3H8FNO1-amino-3-fluoropropan-2-olN146NCC(O)(CF)InChI=1S/C3H8FNO/c4-1-3(6)2-5/h3,6H,1-2,5H2InChIKey=YNYGCUBTRXYATN-UHFFFAOYSA-N133.0Ex 132.95(BP est) -27.98(MP est) ----(BP exp) ----(MP exp) NCC(O)(CF) -28PredN
NC(F)(C)OC329693.1014C3H8FNO1-fluoro-1-methoxyethan-1-amineN146NC(F)(C)OCInChI=1S/C3H8FNO/c1-3(4,5)6-2/h5H2,1-2H3InChIKey=GUPSQUCCTJNCHO-UHFFFAOYSA-N66.2Ex 66.22(BP est) -58.04(MP est) ----(BP exp) ----(MP exp) NC(F)(C)OC -58PredN
CNC(F)OC329793.1014C3H8FNO1-fluoro-1-methoxy-N-methylmethanamineN146CNC(F)OCInChI=1S/C3H8FNO/c1-5-3(4)6-2/h3,5H,1-2H3InChIKey=AJFOJOLDZYFTBA-UHFFFAOYSA-N56.4Ex 56.41(BP est) -84.92(MP est) ----(BP exp) ----(MP exp) CNC(F)OC -84.9PredN
CNCC(O)(F)329893.1014C3H8FNO1-fluoro-2-(methylamino)ethan-1-olN146CNCC(O)(F)InChI=1S/C3H8FNO/c1-5-2-3(4)6/h3,5-6H,2H2,1H3InChIKey=JJUIOLMJOJYHFO-UHFFFAOYSA-N114.9Ex 114.88(BP est) -48.55(MP est) ----(BP exp) ----(MP exp) CNCC(O)(F) -48.6PredN
NC(F)COC329993.1014C3H8FNO1-fluoro-2-methoxyethan-1-amineN146NC(F)COCInChI=1S/C3H8FNO/c1-6-2-3(4)5/h3H,2,5H2,1H3InChIKey=QBTURNHCDFKRHY-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NC(F)COC -63.9PredN
C(F)NCOC330093.1014C3H8FNO1-fluoro-N-(methoxymethyl)methanamineN146C(F)NCOCInChI=1S/C3H8FNO/c1-6-3-5-2-4/h5H,2-3H2,1H3InChIKey=NLQOYBLKNRZQMU-UHFFFAOYSA-N71.7Ex 71.69(BP est) -72.96(MP est) ----(BP exp) ----(MP exp) C(F)NCOC -73PredN
C(F)NCC(O)330193.1014C3H8FNO2-((fluoromethyl)amino)ethan-1-olN146C(F)NCC(O)InChI=1S/C3H8FNO/c4-3-5-1-2-6/h5-6H,1-3H2InChIKey=OQWVOGRBKIQFTJ-UHFFFAOYSA-N136.2Ex 136.22(BP est) -34.82(MP est) ----(BP exp) ----(MP exp) C(F)NCC(O) -34.8PredN
NCCOC(F)330293.1014C3H8FNO2-(fluoromethoxy)ethan-1-amineN146NCCOC(F)InChI=1S/C3H8FNO/c4-3-6-2-1-5/h1-3,5H2InChIKey=UQWKWXKNFGOKSK-UHFFFAOYSA-N91.0Ex 91.02(BP est) -52.01(MP est) ----(BP exp) ----(MP exp) NCCOC(F) -52PredN
NC(C)C(O)(F)330393.1014C3H8FNO2-amino-1-fluoropropan-1-olN146NC(C)C(O)(F)InChI=1S/C3H8FNO/c1-2(5)3(4)6/h2-3,6H,5H2,1H3InChIKey=WNNTUUMGJXWMNU-UHFFFAOYSA-N119.1Ex 119.07(BP est) -39.53(MP est) ----(BP exp) ----(MP exp) NC(C)C(O)(F) -39.5PredN
NC(F)(C)C(O)330493.1014C3H8FNO2-amino-2-fluoropropan-1-olN146NC(F)(C)C(O)InChI=1S/C3H8FNO/c1-3(4,5)2-6/h6H,2,5H2,1H3InChIKey=RTGBIUHOHHEXAB-UHFFFAOYSA-N131.3Ex 131.28(BP est) -19.75(MP est) ----(BP exp) ----(MP exp) NC(F)(C)C(O) -19.8PredN
NC(CF)C(O)330593.1014C3H8FNO2-amino-3-fluoropropan-1-olN146NC(CF)C(O)InChI=1S/C3H8FNO/c4-1-3(5)2-6/h3,6H,1-2,5H2InChIKey=GEJAIMZWZDAYCL-UHFFFAOYSA-N140.3Ex 140.26(BP est) -25.84(MP est) ----(BP exp) ----(MP exp) NC(CF)C(O) -25.8PredN
NC(CF)OC330693.1014C3H8FNO2-fluoro-1-methoxyethan-1-amineN146NC(CF)OCInChI=1S/C3H8FNO/c1-6-3(5)2-4/h3H,2,5H2,1H3InChIKey=GITOEZFWDRZEGA-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NC(CF)OC -63.9PredN
CNC(F)C(O)330793.1014C3H8FNO2-fluoro-2-(methylamino)ethan-1-olN146CNC(F)C(O)InChI=1S/C3H8FNO/c1-5-3(4)2-6/h3,5-6H,2H2,1H3InChIKey=BKQSRQMXJCYPRY-UHFFFAOYSA-N122.4Ex 122.42(BP est) -46.35(MP est) ----(BP exp) ----(MP exp) CNC(F)C(O) -46.4PredN
NCC(F)OC330893.1014C3H8FNO2-fluoro-2-methoxyethan-1-amineN146NCC(F)OCInChI=1S/C3H8FNO/c1-6-3(4)2-5/h3H,2,5H2,1H3InChIKey=GMQQGFSYYDUNID-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NCC(F)OC -63.9PredN
NCCC(O)(F)330993.1014C3H8FNO3-amino-1-fluoropropan-1-olN146NCCC(O)(F)InChI=1S/C3H8FNO/c4-3(6)1-2-5/h3,6H,1-2,5H2InChIKey=MVYLXTCWHQUYFS-UHFFFAOYSA-N133.0Ex 132.95(BP est) -27.98(MP est) ----(BP exp) ----(MP exp) NCCC(O)(F) -28PredN
NCC(F)C(O)331093.1014C3H8FNO3-amino-2-fluoropropan-1-olN146NCC(F)C(O)InChI=1S/C3H8FNO/c4-3(1-5)2-6/h3,6H,1-2,5H2InChIKey=DTXCSCJRPZOOAQ-UHFFFAOYSA-N140.3Ex 140.26(BP est) -25.84(MP est) ----(BP exp) ----(MP exp) NCC(F)C(O) -25.8PredN
NC(F)CC(O)331193.1014C3H8FNO3-amino-3-fluoropropan-1-olN146NC(F)CC(O)InChI=1S/C3H8FNO/c4-3(5)1-2-6/h3,6H,1-2,5H2InChIKey=GHQUXOVFWCCWPU-UHFFFAOYSA-N140.3Ex 140.26(BP est) -25.84(MP est) ----(BP exp) ----(MP exp) NC(F)CC(O) -25.8PredN
NC(F)OC(C)331293.1014C3H8FNOethoxyfluoromethanamineN146NC(F)OC(C)InChI=1S/C3H8FNO/c1-2-6-3(4)5/h3H,2,5H2,1H3InChIKey=RMAQXGZHWMSRFQ-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NC(F)OC(C) -63.9PredN
CN(O)C(C)F331393.1014C3H8FNON-(1-fluoroethyl)-N-methylhydroxylamineN146CN(O)C(C)FInChI=1S/C3H8FNO/c1-3(4)5(2)6/h3,6H,1-2H3InChIKey=WCAFQMWGCOIYFB-UHFFFAOYSA-N190.0Ex 189.96(BP est) -13.65(MP est) ----(BP exp) ----(MP exp) CN(O)C(C)F -13.7PredN
FC(C)NOC331493.1014C3H8FNON-(1-fluoroethyl)-O-methylhydroxylamineN146FC(C)NOCInChI=1S/C3H8FNO/c1-3(4)5-6-2/h3,5H,1-2H3InChIKey=KZQSOQGGQLYEKX-UHFFFAOYSA-N56.4Ex 56.41(BP est) -84.92(MP est) ----(BP exp) ----(MP exp) FC(C)NOC -84.9PredN
FC(CC)NO331593.1014C3H8FNON-(1-fluoropropyl)hydroxylamineN146FC(CC)NOInChI=1S/C3H8FNO/c1-2-3(4)5-6/h3,5-6H,2H2,1H3InChIKey=SZWCTWNYXNMZKC-UHFFFAOYSA-N139.2Ex 139.21(BP est) -41.45(MP est) ----(BP exp) ----(MP exp) FC(CC)NO -41.5PredN
FCCN(O)C331693.1014C3H8FNON-(2-fluoroethyl)-N-methylhydroxylamineN146FCCN(O)CInChI=1S/C3H8FNO/c1-5(6)3-2-4/h6H,2-3H2,1H3InChIKey=ADMOJYCBEHEBAS-UHFFFAOYSA-N202.1Ex 202.07(BP est) -2.61(MP est) ----(BP exp) ----(MP exp) FCCN(O)C -2.6PredN
FCCNOC331793.1014C3H8FNON-(2-fluoroethyl)-O-methylhydroxylamineN146FCCNOCInChI=1S/C3H8FNO/c1-6-5-3-2-4/h5H,2-3H2,1H3InChIKey=VMRAVKRBJKINJM-UHFFFAOYSA-N71.7Ex 71.69(BP est) -72.96(MP est) ----(BP exp) ----(MP exp) FCCNOC -73PredN
FC(C)CNO331893.1014C3H8FNON-(2-fluoropropyl)hydroxylamineN146FC(C)CNOInChI=1S/C3H8FNO/c1-3(4)2-5-6/h3,5-6H,2H2,1H3InChIKey=JZOSNTDMAGTFHT-UHFFFAOYSA-N139.2Ex 139.21(BP est) -41.45(MP est) ----(BP exp) ----(MP exp) FC(C)CNO -41.5PredN
CN(OC)CF331993.1014C3H8FNON-(fluoromethyl)-N,O-dimethylhydroxylamineN146CN(OC)CFInChI=1S/C3H8FNO/c1-5(3-4)6-2/h3H2,1-2H3InChIKey=PMZPBBOMXIAWQJ-UHFFFAOYSA-N48.8Ex 48.82(BP est) -89.73(MP est) ----(BP exp) ----(MP exp) CN(OC)CF -89.7PredN
FCN(O)CC332093.1014C3H8FNON-ethyl-N-(fluoromethyl)hydroxylamineN146FCN(O)CCInChI=1S/C3H8FNO/c1-2-5(6)3-4/h6H,2-3H2,1H3InChIKey=XDRORXCSHNHHAO-UHFFFAOYSA-N202.1Ex 202.07(BP est) -2.61(MP est) ----(BP exp) ----(MP exp) FCN(O)CC -2.6PredN
CCNOCF332193.1014C3H8FNON-ethyl-O-(fluoromethyl)hydroxylamineN146CCNOCFInChI=1S/C3H8FNO/c1-2-5-6-3-4/h5H,2-3H2,1H3InChIKey=KQPGLYZYGIORRL-UHFFFAOYSA-N71.7Ex 71.69(BP est) -72.96(MP est) ----(BP exp) ----(MP exp) CCNOCF -73PredN
CNOC(C)F332293.1014C3H8FNOO-(1-fluoroethyl)-N-methylhydroxylamineN146CNOC(C)FInChI=1S/C3H8FNO/c1-3(4)6-5-2/h3,5H,1-2H3InChIKey=AXXWYXZOGSUNIQ-UHFFFAOYSA-N56.4Ex 56.41(BP est) -84.92(MP est) ----(BP exp) ----(MP exp) CNOC(C)F -84.9PredN
NOC(CC)F332393.1014C3H8FNOO-(1-fluoropropyl)hydroxylamineN146NOC(CC)FInChI=1S/C3H8FNO/c1-2-3(4)6-5/h3H,2,5H2,1H3InChIKey=WDRTUZUPYZAQJM-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NOC(CC)F -63.9PredN
CNOCCF332493.1014C3H8FNOO-(2-fluoroethyl)-N-methylhydroxylamineN146CNOCCFInChI=1S/C3H8FNO/c1-5-6-3-2-4/h5H,2-3H2,1H3InChIKey=RSMIRYLJMSPHBC-UHFFFAOYSA-N71.7Ex 71.69(BP est) -72.96(MP est) ----(BP exp) ----(MP exp) CNOCCF -73PredN
NOCC(C)F332593.1014C3H8FNOO-(2-fluoropropyl)hydroxylamineN146NOCC(C)FInChI=1S/C3H8FNO/c1-3(4)2-6-5/h3H,2,5H2,1H3InChIKey=PRVWXCGTXZQTIY-UHFFFAOYSA-N76.2Ex 76.17(BP est) -63.85(MP est) ----(BP exp) ----(MP exp) NOCC(C)F -63.9PredN
NOCCCF332693.1014C3H8FNOO-(3-fluoropropyl)hydroxylamineN146NOCCCFInChI=1S/C3H8FNO/c4-2-1-3-6-5/h1-3,5H2InChIKey=HDLFHQCEFRNIAC-UHFFFAOYSA-N91.0Ex 91.02(BP est) -52.01(MP est) ----(BP exp) ----(MP exp) NOCCCF -52PredN
CN(OCF)C332793.1014C3H8FNOO-(fluoromethyl)-N,N-dimethylhydroxylamineN146CN(OCF)CInChI=1S/C3H8FNO/c1-5(2)6-3-4/h3H2,1-2H3InChIKey=AMVDXQCYSOVHTG-UHFFFAOYSA-N48.8Ex 48.82(BP est) -89.73(MP est) ----(BP exp) ----(MP exp) CN(OCF)C -89.7PredN
FCNOCC332893.1014C3H8FNOO-ethyl-N-(fluoromethyl)hydroxylamineN146FCNOCCInChI=1S/C3H8FNO/c1-2-6-5-3-4/h5H,2-3H2,1H3InChIKey=OYENSGRYISQOJN-UHFFFAOYSA-N71.7Ex 71.69(BP est) -72.96(MP est) ----(BP exp) ----(MP exp) FCNOCC -73PredN
ONCCS332993.144C2H7NOS2-(hydroxyamino)ethane-1-thiolN125ONCCSInChI=1S/C2H7NOS/c4-3-1-2-5/h3-5H,1-2H2InChIKey=KBLGQYIBHZQVLD-UHFFFAOYSA-N202.1Ex 202.07(BP est) -3.30(MP est) ----(BP exp) ----(MP exp) ONCCS -3.3PredN
NCC(O)S333093.144C2H7NOS2-amino-1-mercaptoethan-1-olN125NCC(O)SInChI=1S/C2H7NOS/c3-1-2(4)5/h2,4-5H,1,3H2InChIKey=CIEMDIKTFOLQML-UHFFFAOYSA-N184.3Ex 184.30(BP est) -0.69(MP est) ----(BP exp) ----(MP exp) NCC(O)S -0.7PredN
OCC(S)N333193.144C2H7NOS2-amino-2-mercaptoethan-1-olN125OCC(S)NInChI=1S/C2H7NOS/c3-2(5)1-4/h2,4-5H,1,3H2InChIKey=JHQMLRMFXVEBQI-UHFFFAOYSA-N190.9Ex 190.91(BP est) 1.25(MP est) ----(BP exp) ----(MP exp) OCC(S)N 1.3PredN
O=S(=N)(C)C333393.144C2H7NOSiminodimethyl-lambda6-sulfanoneN125O=S(=N)(C)CInChI=1S/C2H7NOS/c1-5(2,3)4/h3H,1-2H3InChIKey=DTGSFFWQUULHIF-UHFFFAOYSA-N194.0Ex 193.95(BP est) 3.82(MP est) ----(BP exp) ----(MP exp) O=S(=N)(C)C 3.8PredN
CS(=O)NC333493.144C2H7NOSN-methylmethanesulfinamideN125CS(=O)NCInChI=1S/C2H7NOS/c1-3-5(2)4/h3H,1-2H3InChIKey=AJUFAGSXJJYIAV-UHFFFAOYSA-N169.9Ex 169.91(BP est) -11.33(MP est) ----(BP exp) ----(MP exp) CS(=O)NC -11.3PredN
O=S(N)(C)=C333593.144C2H7NOSS-methylmethanesulfinamideN125O=S(N)(C)=CInChI=1S/C2H7NOS/c1-5(2,3)4/h1H2,2H3,(H2,3,4)InChIKey=WRXZOSOVSAKERF-UHFFFAOYSA-N179.6Ex 179.59(BP est) -0.99(MP est) ----(BP exp) ----(MP exp) O=S(N)(C)=C -1PredN
C(=S)(N)S333693.162CH3NS2carbamodithioic acidN74C(=S)(N)SInChI=1S/CH3NS2/c2-1(3)4/h(H3,2,3,4)InChIKey=DKVNPHBNOWQYFE-UHFFFAOYSA-N175.3Ex 175.27(BP est) 7.50(MP est) ----(BP exp) ----(MP exp) C(=S)(N)S 7.5PredN
ClC(N1)=C1F333793.4854C2HClFN2-chloro-3-fluoro-1H-azirineN65ClC(N1)=C1FInChI=1S/C2HClFN/c3-1-2(4)5-1/h5HInChIKey=VKAMXVJLLICJAH-UHFFFAOYSA-N87.1Ex 87.14(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1F -20.1PredN
ClCC(N)=O333893.51C2H4ClNO2-chloroacetamideN95ClCC(N)=OInChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)InChIKey=VXIVSQZSERGHQP-UHFFFAOYSA-N222.3Ex 230.18(BP est) 41.60(MP est) 225.00(BP exp) 121.00(MP exp) ClCC(N)=O 121ExptN
ClC1N(O)C1333993.51C2H4ClNO2-chloroaziridin-1-olN95ClC1N(O)C1InChI=1S/C2H4ClNO/c3-2-1-4(2)5/h2,5H,1H2InChIKey=VMWBQFXCACCLQD-UHFFFAOYSA-N223.6Ex 223.57(BP est) 23.42(MP est) ----(BP exp) ----(MP exp) ClC1N(O)C1 23.4PredN
ClC1NOC1334093.51C2H4ClNO3-chloro-1,2-oxazetidineN95ClC1NOC1InChI=1S/C2H4ClNO/c3-2-1-5-4-2/h2,4H,1H2InChIKey=NWXLHXXPYYVAGJ-UHFFFAOYSA-N126.3Ex 126.29(BP est) -12.42(MP est) ----(BP exp) ----(MP exp) ClC1NOC1 -12.4PredN
ClC1CNO1334193.51C2H4ClNO4-chloro-1,2-oxazetidineN95ClC1CNO1InChI=1S/C2H4ClNO/c3-2-1-4-5-2/h2,4H,1H2InChIKey=GLCZQBWOFJHLCH-UHFFFAOYSA-N126.3Ex 126.29(BP est) -12.42(MP est) ----(BP exp) ----(MP exp) ClC1CNO1 -12.4PredN
ClC(NO)=C334293.51C2H4ClNON-(1-chlorovinyl)hydroxylamineN95ClC(NO)=CInChI=1S/C2H4ClNO/c1-2(3)4-5/h4-5H,1H2InChIKey=ZIVVOBHQDJUVEO-UHFFFAOYSA-N153.8Ex 153.79(BP est) -28.52(MP est) ----(BP exp) ----(MP exp) ClC(NO)=C -28.5PredN
NOC(Cl)=C334393.51C2H4ClNOO-(1-chlorovinyl)hydroxylamineN95NOC(Cl)=CInChI=1S/C2H4ClNO/c1-2(3)5-4/h1,4H2InChIKey=VQTYUGOJEKWOLA-UHFFFAOYSA-N92.3Ex 92.33(BP est) -50.46(MP est) ----(BP exp) ----(MP exp) NOC(Cl)=C -50.5PredN
NOC=CCl334493.51C2H4ClNOO-(2-chlorovinyl)hydroxylamineN95NOC=CClInChI=1S/C2H4ClNO/c3-1-2-5-4/h1-2H,4H2InChIKey=MJPCMNRXZNGFQX-UHFFFAOYSA-N108.1Ex 108.08(BP est) -40.54(MP est) ----(BP exp) ----(MP exp) NOC=CCl -40.5PredN
CN(CCl)C334593.554C3H8ClN1-chloro-N,N-dimethylmethanamineN135CN(CCl)CInChI=1S/C3H8ClN/c1-5(2)3-4/h3H2,1-2H3InChIKey=IYMYHZHCOOWPGK-UHFFFAOYSA-N87.7Ex 87.65(BP est) -74.84(MP est) ----(BP exp) ----(MP exp) CN(CCl)C -74.8PredN
CNC(C)Cl334693.554C3H8ClN1-chloro-N-methylethan-1-amineN135CNC(C)ClInChI=1S/C3H8ClN/c1-3(4)5-2/h3,5H,1-2H3InChIKey=PVLXUZQSHCTHBL-UHFFFAOYSA-N81.5Ex 81.47(BP est) -74.05(MP est) ----(BP exp) ----(MP exp) CNC(C)Cl -74.1PredN
NC(CC)Cl334793.554C3H8ClN1-chloropropan-1-amineN135NC(CC)ClInChI=1S/C3H8ClN/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=WBVFUFJAYLHDBI-UHFFFAOYSA-N100.5Ex 100.52(BP est) -53.19(MP est) ----(BP exp) ----(MP exp) NC(CC)Cl -53.2PredN
NC(CCl)C334893.554C3H8ClN1-chloropropan-2-amineN135NC(CCl)CInChI=1S/C3H8ClN/c1-3(5)2-4/h3H,2,5H2,1H3InChIKey=OYNBQOGMGPCEHG-UHFFFAOYSA-N113.5Ex 113.49(BP est) -49.40(MP est) ----(BP exp) ----(MP exp) NC(CCl)C -49.4PredN
CNCCCl334993.554C3H8ClN2-chloro-N-methylethan-1-amineN135CNCCClInChI=1S/C3H8ClN/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=YFBQXUGQIFAFMM-UHFFFAOYSA-N109.3Ex 109.26(BP est) -58.44(MP est) ----(BP exp) ----(MP exp) CNCCCl -58.4PredN
NCC(C)Cl335093.554C3H8ClN2-chloropropan-1-amineN135NCC(C)ClInChI=1S/C3H8ClN/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=ALURCNQKQFMOPI-UHFFFAOYSA-N100.5Ex 100.52(BP est) -53.19(MP est) ----(BP exp) ----(MP exp) NCC(C)Cl -53.2PredN
NC(C)(C)Cl335193.554C3H8ClN2-chloropropan-2-amineN135NC(C)(C)ClInChI=1S/C3H8ClN/c1-3(2,4)5/h5H2,1-2H3InChIKey=SJCZWZWJXOOSMY-UHFFFAOYSA-N77.5Ex 77.54(BP est) -51.19(MP est) ----(BP exp) ----(MP exp) NC(C)(C)Cl -51.2PredN
NCCCCl335293.554C3H8ClN3-chloropropan-1-amineN135NCCCClInChI=1S/C3H8ClN/c4-2-1-3-5/h1-3,5H2InChIKey=BZFKSWOGZQMOMO-UHFFFAOYSA-N127.5Ex 127.50(BP est) -37.81(MP est) ----(BP exp) ----(MP exp) NCCCCl -37.8PredN
ClCNCC335393.554C3H8ClNN-(chloromethyl)ethanamineN135ClCNCCInChI=1S/C3H8ClN/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=POOMBLVZFRPIBC-UHFFFAOYSA-N109.3Ex 109.26(BP est) -58.44(MP est) ----(BP exp) ----(MP exp) ClCNCC -58.4PredN
FB(F)OCC335593.8678C2H5BF2OethoxydifluoroboraneN116FB(F)OCCInChI=1S/C2H5BF2O/c1-2-6-3(4)5/h2H2,1H3InChIKey=QKWXQAIUHPWXAF-UHFFFAOYSA-N-2.7Ex -2.68(BP est) -132.02(MP est) ----(BP exp) ----(MP exp) FB(F)OCC -132PredN
O=PC(F)C335794.0252C2H4FOP(1-fluoroethyl)(oxo)phosphaneN95O=PC(F)CInChI=1S/C2H4FOP/c1-2(3)5-4/h2H,1H3InChIKey=RVFHZROSXAABAO-UHFFFAOYSA-N71.9Ex 71.91(BP est) -90.29(MP est) ----(BP exp) ----(MP exp) O=PC(F)C -90.3PredN
O=PCCF335994.0252C2H4FOP(2-fluoroethyl)(oxo)phosphaneN95O=PCCFInChI=1S/C2H4FOP/c3-1-2-5-4/h1-2H2InChIKey=SMTOBPBZYNIVRF-UHFFFAOYSA-N86.9Ex 86.85(BP est) -78.43(MP est) ----(BP exp) ----(MP exp) O=PCCF -78.4PredN
O=P1C(F)C1336294.0252C2H4FOP2-fluorophosphirane 1-oxideN95O=P1C(F)C1InChI=1S/C2H4FOP/c3-2-1-5(2)4/h2,5H,1H2InChIKey=GTGWKHWVGMKMGY-UHFFFAOYSA-N86.5Ex 86.51(BP est) -75.98(MP est) ----(BP exp) ----(MP exp) O=P1C(F)C1 -76PredN
PCCP336394.0335C2H8P21,2-bis(phosphaneyl)ethaneN124PCCPInChI=1S/C2H8P2/c3-1-2-4/h1-4H2InChIKey=FWFZRPMNAAFGBA-UHFFFAOYSA-N97.8Ex 97.75(BP est) -77.35(MP est) ----(BP exp) ----(MP exp) PCCP -77.4PredN
CC(P)P336494.0335C2H8P2ethane-1,1-diylbis(phosphane)N124CC(P)PInChI=1S/C2H8P2/c1-2(3)4/h2H,3-4H2,1H3InChIKey=SYLMLKKURPTCSO-UHFFFAOYSA-N83.1Ex 83.05(BP est) -89.14(MP est) ----(BP exp) ----(MP exp) CC(P)P -89.1PredN
CPCP336594.0335C2H8P2methyl(phosphaneylmethyl)phosphaneN124CPCPInChI=1S/C2H8P2/c1-4-2-3/h4H,2-3H2,1H3InChIKey=TYENWAPPHFJVNZ-UHFFFAOYSA-N76.7Ex 76.70(BP est) -91.68(MP est) ----(BP exp) ----(MP exp) CPCP -91.7PredN
FC(C1F)=C1F336694.0362C3HF31,2,3-trifluorocycloprop-1-eneN76FC(C1F)=C1FInChI=1S/C3HF3/c4-1-2(5)3(1)6/h1HInChIKey=BVINKMFWRHQJLK-UHFFFAOYSA-N3.9Ex 3.92(BP est) -107.73(MP est) ----(BP exp) ----(MP exp) FC(C1F)=C1F -107.7PredN
FC1=CC1(F)F336794.0362C3HF31,3,3-trifluorocycloprop-1-eneN76FC1=CC1(F)FInChI=1S/C3HF3/c4-2-1-3(2,5)6/h1HInChIKey=RWZNHCKENYHWLH-UHFFFAOYSA-N-8.3Ex -8.27(BP est) -105.60(MP est) ----(BP exp) ----(MP exp) FC1=CC1(F)F -105.6PredN
C(F)(F)(C#CF)336894.0362C3HF31,3,3-trifluoroprop-1-yneN76C(F)(F)(C#CF)InChI=1S/C3HF3/c4-2-1-3(5)6/h3HInChIKey=HMAHQANPHFVLPT-UHFFFAOYSA-N3.7Ex 3.70(BP est) -84.11(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C#CF) -84.1PredN
C(F)(F)(F)(C#C)336994.0362C3HF33,3,3-trifluoroprop-1-yneN76C(F)(F)(F)(C#C)InChI=1S/C3HF3/c1-2-3(4,5)6/h1HInChIKey=PRDFNJUWGIQQBW-UHFFFAOYSA-N-48.2Ex -17.67(BP est) -111.20(MP est) ----(BP exp) ----(MP exp) C(F)(F)(F)(C#C) -111.2PredN
COPOC337094.0498C2H7O2Pdimethyl phosphoniteN125COPOCInChI=1S/C2H7O2P/c1-3-5-4-2/h5H,1-2H3InChIKey=WTQARTIGFMEZNX-UHFFFAOYSA-N65.3Ex 65.27(BP est) -88.47(MP est) ----(BP exp) ----(MP exp) COPOC -88.5PredN
O=P(O)(C)C337194.0498C2H7O2Pdimethylphosphinic acidN125O=P(O)(C)CInChI=1S/C2H7O2P/c1-5(2,3)4/h1-2H3,(H,3,4)InChIKey=GOJNABIZVJCYFL-UHFFFAOYSA-N377.0Ex 181.79(BP est) -36.96(MP est) 377.00(BP exp) 92.00(MP exp) O=P(O)(C)C 92ExptN
O=P(CC)O337294.0498C2H7O2Pethylphosphinic acidN125O=P(CC)OInChI=1S/C2H7O2P/c1-2-5(3)4/h5H,2H2,1H3,(H,3,4)InChIKey=ACBPPDYBJZVCTL-UHFFFAOYSA-N183.7Ex 183.70(BP est) -28.22(MP est) ----(BP exp) ----(MP exp) O=P(CC)O -28.2PredN
CP(O)OC337494.0498C2H7O2Pmethyl hydrogen methylphosphoniteN125CP(O)OCInChI=1S/C2H7O2P/c1-4-5(2)3/h3H,1-2H3InChIKey=MFBYDXODTSGNNM-UHFFFAOYSA-N147.9Ex 147.87(BP est) -45.75(MP est) ----(BP exp) ----(MP exp) CP(O)OC -45.8PredN
O=P(C)OC337594.0498C2H7O2Pmethyl methylphosphinateN125O=P(C)OCInChI=1S/C2H7O2P/c1-4-5(2)3/h5H,1-2H3InChIKey=SZZFZADQWWRRTI-UHFFFAOYSA-N107.3Ex 107.33(BP est) -69.81(MP est) ----(BP exp) ----(MP exp) O=P(C)OC -69.8PredN
OCPCO337694.0498C2H7O2PphosphanediyldimethanolN125OCPCOInChI=1S/C2H7O2P/c3-1-5-2-4/h3-5H,1-2H2InChIKey=OHADZAOMPKKMJR-UHFFFAOYSA-N189.0Ex 188.95(BP est) -13.78(MP est) ----(BP exp) ----(MP exp) OCPCO -13.8PredN
C(F)(F)OC=C337794.0608C3H4F2O(difluoromethoxy)etheneN106C(F)(F)OC=CInChI=1S/C3H4F2O/c1-2-6-3(4)5/h2-3H,1H2InChIKey=QUCMXFLKOOLWED-UHFFFAOYSA-N7.6Ex 7.58(BP est) -126.09(MP est) ----(BP exp) ----(MP exp) C(F)(F)OC=C -126.1PredN
COC=C(F)(F)337894.0608C3H4F2O1,1-difluoro-2-methoxyetheneN106COC=C(F)(F)InChI=1S/C3H4F2O/c1-6-2-3(4)5/h2H,1H3InChIKey=QHYVQMOBKCGIAF-UHFFFAOYSA-N26.8Ex 26.79(BP est) -121.62(MP est) ----(BP exp) ----(MP exp) COC=C(F)(F) -121.6PredN
OC(F)(F)(C=C)337994.0608C3H4F2O1,1-difluoroprop-2-en-1-olN106OC(F)(F)(C=C)InChI=1S/C3H4F2O/c1-2-3(4,5)6/h2,6H,1H2InChIKey=DNHIALPDZRMLEY-UHFFFAOYSA-N48.0Ex 47.99(BP est) -86.29(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(C=C) -86.3PredN
CC(=O)C(F)(F)338094.0608C3H4F2O1,1-difluoropropan-2-oneN106CC(=O)C(F)(F)InChI=1S/C3H4F2O/c1-2(6)3(4)5/h3H,1H3InChIKey=XHILZHAQBOLGFD-UHFFFAOYSA-N34.1Ex 34.13(BP est) -103.61(MP est) ----(BP exp) ----(MP exp) CC(=O)C(F)(F) -103.6PredN
COC(F)=C(F)338194.0608C3H4F2O1,2-difluoro-1-methoxyetheneN106COC(F)=C(F)InChI=1S/C3H4F2O/c1-6-3(5)2-4/h2H,1H3InChIKey=QOBVHWAWNJFLCE-UHFFFAOYSA-N26.8Ex 26.79(BP est) -121.62(MP est) ----(BP exp) ----(MP exp) COC(F)=C(F) -121.6PredN
OC(F)(C1)(C1F)338294.0608C3H4F2O1,2-difluorocyclopropan-1-olN106OC(F)(C1)(C1F)InChI=1S/C3H4F2O/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=VUVLRBCDVLHKDO-UHFFFAOYSA-N59.0Ex 58.96(BP est) -64.61(MP est) ----(BP exp) ----(MP exp) OC(F)(C1)(C1F) -64.6PredN
OC(F)(C(F)=C)338394.0608C3H4F2O1,2-difluoroprop-2-en-1-olN106OC(F)(C(F)=C)InChI=1S/C3H4F2O/c1-2(4)3(5)6/h3,6H,1H2InChIKey=GZHCFIPZFUICMC-UHFFFAOYSA-N63.1Ex 63.13(BP est) -97.56(MP est) ----(BP exp) ----(MP exp) OC(F)(C(F)=C) -97.6PredN
OC(F)(C=CF)338494.0608C3H4F2O1,3-difluoroprop-2-en-1-olN106OC(F)(C=CF)InChI=1S/C3H4F2O/c4-2-1-3(5)6/h1-3,6HInChIKey=TWRUBMKWAKWUQN-UHFFFAOYSA-N79.6Ex 79.57(BP est) -87.43(MP est) ----(BP exp) ----(MP exp) OC(F)(C=CF) -87.4PredN
C(F)C(=O)C(F)338594.0608C3H4F2O1,3-difluoropropan-2-oneN106C(F)C(=O)C(F)InChI=1S/C3H4F2O/c4-1-3(6)2-5/h1-2H2InChIKey=HKIPCXRNASWFRU-UHFFFAOYSA-N49.9Ex 49.87(BP est) -91.51(MP est) ----(BP exp) ----(MP exp) C(F)C(=O)C(F) -91.5PredN
C(F)OC(F)=C338694.0608C3H4F2O1-fluoro-1-(fluoromethoxy)etheneN106C(F)OC(F)=CInChI=1S/C3H4F2O/c1-3(5)6-2-4/h1-2H2InChIKey=VLYLQMHUKWMEHN-UHFFFAOYSA-N16.5Ex 16.53(BP est) -122.95(MP est) ----(BP exp) ----(MP exp) C(F)OC(F)=C -123PredN
C(F)OC=C(F)338794.0608C3H4F2O1-fluoro-2-(fluoromethoxy)etheneN106C(F)OC=C(F)InChI=1S/C3H4F2O/c4-1-2-6-3-5/h1-2H,3H2InChIKey=KOSVHGOLJSEQJM-UHFFFAOYSA-N34.0Ex 34.03(BP est) -112.53(MP est) ----(BP exp) ----(MP exp) C(F)OC=C(F) -112.5PredN
FC(F)C1CO1338894.0608C3H4F2O2-(difluoromethyl)oxiraneN106FC(F)C1CO1InChI=1S/C3H4F2O/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=FTCQYMALCXGFFQ-UHFFFAOYSA-N20.5Ex 20.47(BP est) -110.31(MP est) ----(BP exp) ----(MP exp) FC(F)C1CO1 -110.3PredN
FC1(F)C(C)O1338994.0608C3H4F2O2,2-difluoro-3-methyloxiraneN106FC1(F)C(C)O1InChI=1S/C3H4F2O/c1-2-3(4,5)6-2/h2H,1H3InChIKey=UABIZJSFJLRYKY-UHFFFAOYSA-N14.7Ex 14.68(BP est) -94.67(MP est) ----(BP exp) ----(MP exp) FC1(F)C(C)O1 -94.7PredN
OC(C1)(C1(F)F)339094.0608C3H4F2O2,2-difluorocyclopropan-1-olN106OC(C1)(C1(F)F)InChI=1S/C3H4F2O/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=BCNZWRRCPMSBMO-UHFFFAOYSA-N70.8Ex 70.78(BP est) -61.16(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1(F)F) -61.2PredN
FC1(F)OCC1339194.0608C3H4F2O2,2-difluorooxetaneN106FC1(F)OCC1InChI=1S/C3H4F2O/c4-3(5)1-2-6-3/h1-2H2InChIKey=MKEACELXVVNRAA-UHFFFAOYSA-N24.9Ex 24.93(BP est) -91.31(MP est) ----(BP exp) ----(MP exp) FC1(F)OCC1 -91.3PredN
C(=O)C(F)(F)(C)339294.0608C3H4F2O2,2-difluoropropanalN106C(=O)C(F)(F)(C)InChI=1S/C3H4F2O/c1-3(4,5)2-6/h2H,1H3InChIKey=SDNUTQAYPMABGF-UHFFFAOYSA-N39.0Ex 39.00(BP est) -97.44(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(F)(C) -97.4PredN
FC1C(F)(C)O1339394.0608C3H4F2O2,3-difluoro-2-methyloxiraneN106FC1C(F)(C)O1InChI=1S/C3H4F2O/c1-3(5)2(4)6-3/h2H,1H3InChIKey=LNVVKDWDAYJRAV-UHFFFAOYSA-N14.7Ex 14.68(BP est) -94.67(MP est) ----(BP exp) ----(MP exp) FC1C(F)(C)O1 -94.7PredN
OC(C1F)(C1F)339494.0608C3H4F2O2,3-difluorocyclopropan-1-olN106OC(C1F)(C1F)InChI=1S/C3H4F2O/c4-1-2(5)3(1)6/h1-3,6HInChIKey=LEJBAKZBKUBTSE-UHFFFAOYSA-N76.7Ex 76.72(BP est) -73.50(MP est) ----(BP exp) ----(MP exp) OC(C1F)(C1F) -73.5PredN
FC1OCC1F339594.0608C3H4F2O2,3-difluorooxetaneN106FC1OCC1FInChI=1S/C3H4F2O/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=YNUONZJBZZBSKT-UHFFFAOYSA-N31.3Ex 31.26(BP est) -103.54(MP est) ----(BP exp) ----(MP exp) FC1OCC1F -103.5PredN
OC(C(F)=CF)339694.0608C3H4F2O2,3-difluoroprop-2-en-1-olN106OC(C(F)=CF)InChI=1S/C3H4F2O/c4-1-3(5)2-6/h1,6H,2H2InChIKey=OKLNBFSKTGQMKV-UHFFFAOYSA-N95.6Ex 95.57(BP est) -82.24(MP est) ----(BP exp) ----(MP exp) OC(C(F)=CF) -82.2PredN
C(=O)C(F)(CF)339794.0608C3H4F2O2,3-difluoropropanalN106C(=O)C(F)(CF)InChI=1S/C3H4F2O/c4-1-3(5)2-6/h2-3H,1H2InChIKey=KCPWYCKEQJPGEU-UHFFFAOYSA-N49.3Ex 49.33(BP est) -103.14(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(CF) -103.1PredN
FC1CC(F)O1339894.0608C3H4F2O2,4-difluorooxetaneN106FC1CC(F)O1InChI=1S/C3H4F2O/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=OTLCTNWXGMBUTO-UHFFFAOYSA-N31.3Ex 31.26(BP est) -103.54(MP est) ----(BP exp) ----(MP exp) FC1CC(F)O1 -103.5PredN
FC1(CF)CO1339994.0608C3H4F2O2-fluoro-2-(fluoromethyl)oxiraneN106FC1(CF)CO1InChI=1S/C3H4F2O/c4-1-3(5)2-6-3/h1-2H2InChIKey=SFBVNFKMSAYUOB-UHFFFAOYSA-N22.5Ex 22.48(BP est) -90.27(MP est) ----(BP exp) ----(MP exp) FC1(CF)CO1 -90.3PredN
FC1C(CF)O1340094.0608C3H4F2O2-fluoro-3-(fluoromethyl)oxiraneN106FC1C(CF)O1InChI=1S/C3H4F2O/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=GCCVJBTYFQRLAQ-UHFFFAOYSA-N28.8Ex 28.82(BP est) -102.49(MP est) ----(BP exp) ----(MP exp) FC1C(CF)O1 -102.5PredN
FC1(F)COC1340194.0608C3H4F2O3,3-difluorooxetaneN106FC1(F)COC1InChI=1S/C3H4F2O/c4-3(5)1-6-2-3/h1-2H2InChIKey=ZIJXRBOWCNYSSG-UHFFFAOYSA-N24.9Ex 24.93(BP est) -91.31(MP est) ----(BP exp) ----(MP exp) FC1(F)COC1 -91.3PredN
OC(C=C(F)F)340294.0608C3H4F2O3,3-difluoroprop-2-en-1-olN106OC(C=C(F)F)InChI=1S/C3H4F2O/c4-3(5)1-2-6/h1,6H,2H2InChIKey=GUWIZLFGIILDAL-UHFFFAOYSA-N95.6Ex 95.57(BP est) -82.24(MP est) ----(BP exp) ----(MP exp) OC(C=C(F)F) -82.2PredN
C(=O)C(C(F)F)340394.0608C3H4F2O3,3-difluoropropanalN106C(=O)C(C(F)F)InChI=1S/C3H4F2O/c4-3(5)1-2-6/h2-3H,1H2InChIKey=YLYOGKKQZANYFW-UHFFFAOYSA-N49.3Ex 49.33(BP est) -103.14(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(F)F) -103.1PredN
OCOOCO340494.066C2H6O4peroxydimethanolN126OCOOCOInChI=1S/C2H6O4/c3-1-5-6-2-4/h3-4H,1-2H2InChIKey=JLJXMZMKMRQOLN-UHFFFAOYSA-N197.1Ex 197.12(BP est) 3.34(MP est) ----(BP exp) ----(MP exp) OCOOCO 3.3PredN
CPC(F)C340594.0692C3H8FP(1-fluoroethyl)(methyl)phosphaneN135CPC(F)CInChI=1S/C3H8FP/c1-3(4)5-2/h3,5H,1-2H3InChIKey=NAWIOHKNOMBQTI-UHFFFAOYSA-N24.1Ex 24.10(BP est) -124.29(MP est) ----(BP exp) ----(MP exp) CPC(F)C -124.3PredN
PC(F)CC340694.0692C3H8FP(1-fluoropropyl)phosphaneN135PC(F)CCInChI=1S/C3H8FP/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=IMCRMGCPAPRJGN-UHFFFAOYSA-N46.7Ex 46.74(BP est) -109.50(MP est) ----(BP exp) ----(MP exp) PC(F)CC -109.5PredN
CPCCF340794.0692C3H8FP(2-fluoroethyl)(methyl)phosphaneN135CPCCFInChI=1S/C3H8FP/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=YKVWJWMWAPXGHF-UHFFFAOYSA-N40.1Ex 40.05(BP est) -112.14(MP est) ----(BP exp) ----(MP exp) CPCCF -112.1PredN
PCC(F)C340894.0692C3H8FP(2-fluoropropyl)phosphaneN135PCC(F)CInChI=1S/C3H8FP/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=JXRLYCUCNFCVKY-UHFFFAOYSA-N46.7Ex 46.74(BP est) -109.50(MP est) ----(BP exp) ----(MP exp) PCC(F)C -109.5PredN
PCCCF340994.0692C3H8FP(3-fluoropropyl)phosphaneN135PCCCFInChI=1S/C3H8FP/c4-2-1-3-5/h1-3,5H2InChIKey=CYHBAFRLRGZXOR-UHFFFAOYSA-N62.2Ex 62.22(BP est) -97.48(MP est) ----(BP exp) ----(MP exp) PCCCF -97.5PredN
CP(C)CF341094.0692C3H8FP(fluoromethyl)dimethylphosphaneN135CP(C)CFInChI=1S/C3H8FP/c1-5(2)3-4/h3H2,1-2H3InChIKey=ULPOZZMHTKVTNO-UHFFFAOYSA-N41.1Ex 41.10(BP est) -112.52(MP est) ----(BP exp) ----(MP exp) CP(C)CF -112.5PredN
FCPCC341194.0692C3H8FPethyl(fluoromethyl)phosphaneN135FCPCCInChI=1S/C3H8FP/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=PDWDQWBHTRHDEX-UHFFFAOYSA-N40.1Ex 40.05(BP est) -112.14(MP est) ----(BP exp) ----(MP exp) FCPCC -112.1PredN
FC(S1)=C1F341294.0788C2F2S2,3-difluorothiireneN55FC(S1)=C1FInChI=1S/C2F2S/c3-1-2(4)5-1InChIKey=LTOBEELJLMMNKX-UHFFFAOYSA-N55.6Ex 55.62(BP est) -57.72(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1F -57.7PredN
O=CS(O)=O341394.084CH2O3Soxomethanesulfinic acidN75O=CS(O)=OInChI=1S/CH2O3S/c2-1-5(3)4/h1H,(H,3,4)InChIKey=UCWUTEPZFGIUIA-UHFFFAOYSA-N250.2Ex 250.17(BP est) 31.55(MP est) ----(BP exp) ----(MP exp) O=CS(O)=O 31.6PredN
OCOC(F)(C)341494.0854C3H7FO2(1-fluoroethoxy)methanolN136OCOC(F)(C)InChI=1S/C3H7FO2/c1-3(4)6-2-5/h3,5H,2H2,1H3InChIKey=JCELXZWAQPGUBW-UHFFFAOYSA-N102.9Ex 102.86(BP est) -67.28(MP est) ----(BP exp) ----(MP exp) OCOC(F)(C) -67.3PredN
OCOC(CF)341594.0854C3H7FO2(2-fluoroethoxy)methanolN136OCOC(CF)InChI=1S/C3H7FO2/c4-1-2-6-3-5/h5H,1-3H2InChIKey=VKGBJMPAGAFKMA-UHFFFAOYSA-N117.1Ex 117.11(BP est) -55.62(MP est) ----(BP exp) ----(MP exp) OCOC(CF) -55.6PredN
OC(C)OC(F)341694.0854C3H7FO21-(fluoromethoxy)ethan-1-olN136OC(C)OC(F)InChI=1S/C3H7FO2/c1-3(5)6-2-4/h3,5H,2H2,1H3InChIKey=KOUXWPSXIHIZKN-UHFFFAOYSA-N95.1Ex 95.08(BP est) -69.55(MP est) ----(BP exp) ----(MP exp) OC(C)OC(F) -69.6PredN
FC(O)(OC)C341794.0854C3H7FO21-fluoro-1-methoxyethan-1-olN136FC(O)(OC)CInChI=1S/C3H7FO2/c1-3(4,5)6-2/h5H,1-2H3InChIKey=JDUBJEDQAVJLKF-UHFFFAOYSA-N73.8Ex 73.84(BP est) -67.04(MP est) ----(BP exp) ----(MP exp) FC(O)(OC)C -67PredN
OC(F)COC341894.0854C3H7FO21-fluoro-2-methoxyethan-1-olN136OC(F)COCInChI=1S/C3H7FO2/c1-6-2-3(4)5/h3,5H,2H2,1H3InChIKey=XYWNMQANGMXIKV-UHFFFAOYSA-N95.1Ex 95.08(BP est) -69.55(MP est) ----(BP exp) ----(MP exp) OC(F)COC -69.6PredN
OC(F)C(O)(C)341994.0854C3H7FO21-fluoropropane-1,2-diolN136OC(F)C(O)(C)InChI=1S/C3H7FO2/c1-2(5)3(4)6/h2-3,5-6H,1H3InChIKey=LAPIJTIJYJVTSL-UHFFFAOYSA-N136.7Ex 136.74(BP est) -45.59(MP est) ----(BP exp) ----(MP exp) OC(F)C(O)(C) -45.6PredN
OCCC(O)(F)342094.0854C3H7FO21-fluoropropane-1,3-diolN136OCCC(O)(F)InChI=1S/C3H7FO2/c4-3(6)1-2-5/h3,5-6H,1-2H2InChIKey=WIARMKVBSWKALG-UHFFFAOYSA-N157.3Ex 157.28(BP est) -32.09(MP est) ----(BP exp) ----(MP exp) OCCC(O)(F) -32.1PredN
OCCOC(F)342194.0854C3H7FO22-(fluoromethoxy)ethan-1-olN136OCCOC(F)InChI=1S/C3H7FO2/c4-3-6-2-1-5/h5H,1-3H2InChIKey=LUZBSMRHJGMYAL-UHFFFAOYSA-N117.1Ex 117.11(BP est) -55.62(MP est) ----(BP exp) ----(MP exp) OCCOC(F) -55.6PredN
OC(CF)OC342294.0854C3H7FO22-fluoro-1-methoxyethan-1-olN136OC(CF)OCInChI=1S/C3H7FO2/c1-6-3(5)2-4/h3,5H,2H2,1H3InChIKey=FGXMGMLGWBUYQI-UHFFFAOYSA-N95.1Ex 95.08(BP est) -69.55(MP est) ----(BP exp) ----(MP exp) OC(CF)OC -69.6PredN
OCC(F)OC342394.0854C3H7FO22-fluoro-2-methoxyethan-1-olN136OCC(F)OCInChI=1S/C3H7FO2/c1-6-3(4)2-5/h3,5H,2H2,1H3InChIKey=IRVRQROBZLICPD-UHFFFAOYSA-N102.9Ex 102.86(BP est) -67.28(MP est) ----(BP exp) ----(MP exp) OCC(F)OC -67.3PredN
OCC(O)(F)(C)342494.0854C3H7FO22-fluoropropane-1,2-diolN136OCC(O)(F)(C)InChI=1S/C3H7FO2/c1-3(4,6)2-5/h5-6H,2H2,1H3InChIKey=ZKSOYIKYGANSGO-UHFFFAOYSA-N138.2Ex 138.16(BP est) -28.97(MP est) ----(BP exp) ----(MP exp) OCC(O)(F)(C) -29PredN
OCC(F)C(O)342594.0854C3H7FO22-fluoropropane-1,3-diolN136OCC(F)C(O)InChI=1S/C3H7FO2/c4-3(1-5)2-6/h3,5-6H,1-2H2InChIKey=NWIQTMVDEWDMAM-UHFFFAOYSA-N164.3Ex 164.27(BP est) -30.05(MP est) ----(BP exp) ----(MP exp) OCC(F)C(O) -30.1PredN
OCC(O)(CF)342694.0854C3H7FO23-fluoropropane-1,2-diolN136OCC(O)(CF)InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2InChIKey=PQDNJBQKAXAXBQ-UHFFFAOYSA-N157.3Ex 157.28(BP est) -32.09(MP est) ----(BP exp) ----(MP exp) OCC(O)(CF) -32.1PredN
OC(F)OC(C)342794.0854C3H7FO2ethoxyfluoromethanolN136OC(F)OC(C)InChI=1S/C3H7FO2/c1-2-6-3(4)5/h3,5H,2H2,1H3InChIKey=QDFIGLRKAJWFEK-UHFFFAOYSA-N95.1Ex 95.08(BP est) -69.55(MP est) ----(BP exp) ----(MP exp) OC(F)OC(C) -69.6PredN
COCOC(F)342894.0854C3H7FO2fluoro(methoxymethoxy)methaneN136COCOC(F)InChI=1S/C3H7FO2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=DNYUCRGPSVBOMW-UHFFFAOYSA-N50.6Ex 50.55(BP est) -94.34(MP est) ----(BP exp) ----(MP exp) COCOC(F) -94.3PredN
COC(F)OC342994.0854C3H7FO2fluorodimethoxymethaneN136COC(F)OCInChI=1S/C3H7FO2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=LUDHWIZJXBVHRP-UHFFFAOYSA-N34.8Ex 34.82(BP est) -106.43(MP est) ----(BP exp) ----(MP exp) COC(F)OC -106.4PredN
NN=S(=O)=O343094.088H2N2O2SsulfonylhydrazineN75NN=S(=O)=OInChI=1S/H2N2O2S/c1-2-5(3)4/h1H2InChIKey=ISNKSXRJJVWFIL-UHFFFAOYSA-N131.6Ex 566.76(BP est) 243.78(MP est) ----(BP exp) ----(MP exp) NN=S(=O)=O 243.8PredN
C(C)(C)(C(F)F)343194.1048C4H8F21,1-difluoro-2-methylpropaneN146C(C)(C)(C(F)F)InChI=1S/C4H8F2/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=ILTXOELGTIIKDD-UHFFFAOYSA-N33.0Ex -8.03(BP est) -142.75(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C(F)F) -142.8PredN
C(CCC(F)F)343294.1048C4H8F21,1-difluorobutaneN146C(CCC(F)F)InChI=1S/C4H8F2/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=CPLSOYONVLSMGL-UHFFFAOYSA-N41.0Ex 8.56(BP est) -130.40(MP est) ----(BP exp) ----(MP exp) C(CCC(F)F) -130.4PredN
C(F)(C)(C)(CF)343394.1048C4H8F21,2-difluoro-2-methylpropaneN146C(F)(C)(C)(CF)InChI=1S/C4H8F2/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=MBPIQXLEEJZOMY-UHFFFAOYSA-N35.0Ex -2.31(BP est) -124.87(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(CF) -124.9PredN
C(CC(F)CF)343494.1048C4H8F21,2-difluorobutaneN146C(CC(F)CF)InChI=1S/C4H8F2/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=VHJOGNLCVJAXFE-UHFFFAOYSA-N50.0Ex 8.56(BP est) -130.40(MP est) ----(BP exp) ----(MP exp) C(CC(F)CF) -130.4PredN
C(C)(CF)(CF)343594.1048C4H8F21,3-difluoro-2-methylpropaneN146C(C)(CF)(CF)InChI=1S/C4H8F2/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=OLURRGJWZJYRIM-UHFFFAOYSA-N63.0Ex 8.56(BP est) -130.40(MP est) ----(BP exp) ----(MP exp) C(C)(CF)(CF) -130.4PredN
C(C(F)CCF)343694.1048C4H8F21,3-difluorobutaneN146C(C(F)CCF)InChI=1S/C4H8F2/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=JFGBHUQZXJIATI-UHFFFAOYSA-N60.0Ex 8.56(BP est) -130.40(MP est) ----(BP exp) ----(MP exp) C(C(F)CCF) -130.4PredN
C(F)(CCCF)343794.1048C4H8F21,4-difluorobutaneN146C(F)(CCCF)InChI=1S/C4H8F2/c5-3-1-2-4-6/h1-4H2InChIKey=CXHPKSYTQFAXIN-UHFFFAOYSA-N77.8Ex 24.82(BP est) -118.15(MP est) ----(BP exp) ----(MP exp) C(F)(CCCF) -118.2PredN
C(CC(F)(F)C)343894.1048C4H8F22,2-difluorobutaneN146C(CC(F)(F)C)InChI=1S/C4H8F2/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=IIADOUMJKYSCPM-UHFFFAOYSA-N30.8Ex -2.31(BP est) -124.87(MP est) ----(BP exp) ----(MP exp) C(CC(F)(F)C) -124.9PredN
C(C(F)C(F)C)343994.1048C4H8F22,3-difluorobutaneN146C(C(F)C(F)C)InChI=1S/C4H8F2/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=GRELHMBELDGGLT-UHFFFAOYSA-N47.0Ex -8.03(BP est) -142.75(MP est) ----(BP exp) ----(MP exp) C(C(F)C(F)C) -142.8PredN
NC(NF)=S344094.1074CH3FN2S1-fluorothioureaN85NC(NF)=SInChI=1S/CH3FN2S/c2-4-1(3)5/h(H3,3,4,5)InChIKey=FONJRCUCQBMHKY-UHFFFAOYSA-N142.8Ex 142.77(BP est) 6.41(MP est) ----(BP exp) ----(MP exp) NC(NF)=S 6.4PredN
CCSP344194.1118C2H7PS(ethylthio)phosphaneN114CCSPInChI=1S/C2H7PS/c1-2-4-3/h2-3H2,1H3InChIKey=RWULJFSXNBBGHY-UHFFFAOYSA-N105.7Ex 105.73(BP est) -73.51(MP est) ----(BP exp) ----(MP exp) CCSP -73.5PredN
O=S(C)(C)=O344294.128C2H6O2S(methylsulfonyl)methaneN115O=S(C)(C)=OInChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3InChIKey=HHVIBTZHLRERCL-UHFFFAOYSA-N237.8Ex 144.57(BP est) -20.05(MP est) 238.00(BP exp) 109.00(MP exp) O=S(C)(C)=O 109ExptY(Bentley and Chasteen 2004, Cho et al. 2008, Irwin et al. 2012, DNP 2017)
F[Si]1(CC1)F344394.1358C2H4F2Si1,1-difluorosiliraneN95F[Si]1(CC1)FInChI=1S/C2H4F2Si/c3-5(4)1-2-5/h1-2H2InChIKey=FGMSNVHOIJSGTR-UHFFFAOYSA-N-37.2Ex -37.21(BP est) -90.26(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1)F -90.3PredN
C[N+]1=CC=CC=C1344494.1365C6H8N+1-methylpyridin-1-iumN146C[N+]1=CC=CC=C1InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1InChIKey=PQBAWAQIRZIWIV-UHFFFAOYSA-N134.3Ex 134.33(BP est) -40.97(MP est) ----(BP exp) ----(MP exp) C[N+]1=CC=CC=C1 -41PredN
CSC(F)(C)344594.1474C3H7FS(1-fluoroethyl)(methyl)sulfaneN125CSC(F)(C)InChI=1S/C3H7FS/c1-3(4)5-2/h3H,1-2H3InChIKey=AHQIPXDULDOREA-UHFFFAOYSA-N55.3Ex 55.33(BP est) -105.48(MP est) ----(BP exp) ----(MP exp) CSC(F)(C) -105.5PredN
CSC(CF)344694.1474C3H7FS(2-fluoroethyl)(methyl)sulfaneN125CSC(CF)InChI=1S/C3H7FS/c1-5-3-2-4/h2-3H2,1H3InChIKey=XJXROZCDIJHUSS-UHFFFAOYSA-N70.6Ex 70.63(BP est) -93.51(MP est) ----(BP exp) ----(MP exp) CSC(CF) -93.5PredN
SC(F)(CC)344794.1474C3H7FS1-fluoropropane-1-thiolN125SC(F)(CC)InChI=1S/C3H7FS/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=XWYCXXFPCGYQJK-UHFFFAOYSA-N70.6Ex 70.56(BP est) -100.00(MP est) ----(BP exp) ----(MP exp) SC(F)(CC) -100PredN
SC(C)(CF)344894.1474C3H7FS1-fluoropropane-2-thiolN125SC(C)(CF)InChI=1S/C3H7FS/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=WXQBINMIEGNSNX-UHFFFAOYSA-N70.6Ex 70.56(BP est) -100.00(MP est) ----(BP exp) ----(MP exp) SC(C)(CF) -100PredN
SC(C(F)C)344994.1474C3H7FS2-fluoropropane-1-thiolN125SC(C(F)C)InChI=1S/C3H7FS/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=VOZXTKZAVNBUCC-UHFFFAOYSA-N70.6Ex 70.56(BP est) -100.00(MP est) ----(BP exp) ----(MP exp) SC(C(F)C) -100PredN
SC(F)(C)(C)345094.1474C3H7FS2-fluoropropane-2-thiolN125SC(F)(C)(C)InChI=1S/C3H7FS/c1-3(2,4)5/h5H,1-2H3InChIKey=AHUBDSRZTZSOIM-UHFFFAOYSA-N60.5Ex 60.54(BP est) -94.22(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(C) -94.2PredN
SC(CCF)345194.1474C3H7FS3-fluoropropane-1-thiolN125SC(CCF)InChI=1S/C3H7FS/c4-2-1-3-5/h5H,1-3H2InChIKey=RXUKMWGETCFZCU-UHFFFAOYSA-N85.5Ex 85.53(BP est) -88.13(MP est) ----(BP exp) ----(MP exp) SC(CCF) -88.1PredN
C(F)SC(C)345294.1474C3H7FSethyl(fluoromethyl)sulfaneN125C(F)SC(C)InChI=1S/C3H7FS/c1-2-5-3-4/h2-3H2,1H3InChIKey=GJVOCPAKSMJHDZ-UHFFFAOYSA-N70.6Ex 70.63(BP est) -93.51(MP est) ----(BP exp) ----(MP exp) C(F)SC(C) -93.5PredN
F[Si](C)(O)C345394.1604C2H7FOSifluorodimethylsilanolN125F[Si](C)(O)CInChI=1S/C2H7FOSi/c1-5(2,3)4/h4H,1-2H3InChIKey=QQQQUEMDNBGBCL-UHFFFAOYSA-N85.3Ex 85.31(BP est) -77.72(MP est) ----(BP exp) ----(MP exp) F[Si](C)(O)C -77.7PredN
SCSC345494.19C2H6S2(methylthio)methanethiolN104SCSCInChI=1S/C2H6S2/c1-4-2-3/h3H,2H2,1H3InChIKey=IXBUFAUQDFHNGI-UHFFFAOYSA-N127.6Ex 127.56(BP est) -64.59(MP est) ----(BP exp) ----(MP exp) SCSC -64.6PredY(The Good Scents Company , Kubec et al. 2002)
CSSC345594.19C2H6S21,2-dimethyldisulfaneN104CSSCInChI=1S/C2H6S2/c1-3-4-2/h1-2H3InChIKey=WQOXQRCZOLPYPM-UHFFFAOYSA-N109.5Ex 113.62(BP est) -69.69(MP est) 109.80(BP exp) -85.00(MP exp) CSSC -85ExptY(Feng et al. 2007, Wishart et al. 2013)
SCCS345794.19C2H6S2ethane-1,2-dithiolN104SCCSInChI=1S/C2H6S2/c3-1-2-4/h3-4H,1-2H2InChIKey=VYMPLPIFKRHAAC-UHFFFAOYSA-N145.8Ex 141.17(BP est) -59.59(MP est) 146.00(BP exp) -41.20(MP exp) SCCS -41.2ExptN
ClC(O1)=C1F345994.4694C2ClFO2-chloro-3-fluorooxireneN55ClC(O1)=C1FInChI=1S/C2ClFO/c3-1-2(4)5-1InChIKey=MFJVAVRMDKXALS-UHFFFAOYSA-N53.4Ex 53.43(BP est) -69.13(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1F -69.1PredN
PC(Cl)=C346094.4778C2H4ClP(1-chlorovinyl)phosphaneN84PC(Cl)=CInChI=1S/C2H4ClP/c1-2(3)4/h1,4H2InChIKey=ZHOOSKDWWVSOGK-UHFFFAOYSA-N63.6Ex 63.59(BP est) -95.91(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C -95.9PredN
PC=CCl346194.4778C2H4ClP(2-chlorovinyl)phosphaneN84PC=CClInChI=1S/C2H4ClP/c3-1-2-4/h1-2H,4H2InChIKey=XNTSOTJPXOGXQV-UHFFFAOYSA-N80.0Ex 80.02(BP est) -85.79(MP est) ----(BP exp) ----(MP exp) PC=CCl -85.8PredN
ClC1CP1346294.4778C2H4ClP2-chlorophosphiraneN84ClC1CP1InChI=1S/C2H4ClP/c3-2-1-4-2/h2,4H,1H2InChIKey=SVUKYMTTYIPMGO-UHFFFAOYSA-N68.6Ex 68.64(BP est) -84.03(MP est) ----(BP exp) ----(MP exp) ClC1CP1 -84PredN
OC(=O)C(Cl)346394.494C2H3ClO22-chloroacetic acidN85OC(=O)C(Cl)InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)InChIKey=FOCAUTSVDIKZOP-UHFFFAOYSA-N189.1Ex 181.12(BP est) 10.88(MP est) 189.30(BP exp) 63.00(MP exp) OC(=O)C(Cl) 63ExptY(Ballschmiter 2003)
C(C1)(C1(Cl)F)346494.5134C3H4ClF1-chloro-1-fluorocyclopropaneN95C(C1)(C1(Cl)F)InChI=1S/C3H4ClF/c4-3(5)1-2-3/h1-2H2InChIKey=IOQQBWNFLDFHBO-UHFFFAOYSA-N28.4Ex 28.36(BP est) -87.17(MP est) ----(BP exp) ----(MP exp) C(C1)(C1(Cl)F) -87.2PredN
C(C=C(Cl)F)346594.5134C3H4ClF1-chloro-1-fluoroprop-1-eneN95C(C=C(Cl)F)InChI=1S/C3H4ClF/c1-2-3(4)5/h2H,1H3InChIKey=BLEZTPDKUBSTII-UHFFFAOYSA-N36.4Ex 36.40(BP est) -115.26(MP est) ----(BP exp) ----(MP exp) C(C=C(Cl)F) -115.3PredN
C(C1Cl)(C1F)346694.5134C3H4ClF1-chloro-2-fluorocyclopropaneN95C(C1Cl)(C1F)InChI=1S/C3H4ClF/c4-2-1-3(2)5/h2-3H,1H2InChIKey=LCFZSTBLZOXTCJ-UHFFFAOYSA-N48.9Ex 48.88(BP est) -95.25(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1F) -95.3PredN
C(C(F)=CCl)346794.5134C3H4ClF1-chloro-2-fluoroprop-1-eneN95C(C(F)=CCl)InChI=1S/C3H4ClF/c1-3(5)2-4/h2H,1H3InChIKey=FPHYTGCIJLTSGB-UHFFFAOYSA-N36.4Ex 36.40(BP est) -115.26(MP est) ----(BP exp) ----(MP exp) C(C(F)=CCl) -115.3PredN
C(F)(C=CCl)346894.5134C3H4ClF1-chloro-3-fluoroprop-1-eneN95C(F)(C=CCl)InChI=1S/C3H4ClF/c4-2-1-3-5/h1-2H,3H2InChIKey=MAGKSAPDDXBCKR-UHFFFAOYSA-N43.6Ex 43.55(BP est) -106.20(MP est) ----(BP exp) ----(MP exp) C(F)(C=CCl) -106.2PredN
C(C(Cl)=CF)346994.5134C3H4ClF2-chloro-1-fluoroprop-1-eneN95C(C(Cl)=CF)InChI=1S/C3H4ClF/c1-3(4)2-5/h2H,1H3InChIKey=YMLKXYRVQRBSEU-UHFFFAOYSA-N36.4Ex 36.40(BP est) -115.26(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=CF) -115.3PredN
C(F)(C(Cl)=C)347094.5134C3H4ClF2-chloro-3-fluoroprop-1-eneN95C(F)(C(Cl)=C)InChI=1S/C3H4ClF/c1-3(4)2-5/h1-2H2InChIKey=ZYVSNYBYAYMMQV-UHFFFAOYSA-N26.3Ex 26.26(BP est) -116.56(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)=C) -116.6PredN
C(Cl)(C=CF)347194.5134C3H4ClF3-chloro-1-fluoroprop-1-eneN95C(Cl)(C=CF)InChI=1S/C3H4ClF/c4-2-1-3-5/h1,3H,2H2InChIKey=NXRVIYWUCXPXLM-UHFFFAOYSA-N73.6Ex 73.64(BP est) -97.41(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=CF) -97.4PredN
C(Cl)(C(F)=C)347294.5134C3H4ClF3-chloro-2-fluoroprop-1-eneN95C(Cl)(C(F)=C)InChI=1S/C3H4ClF/c1-3(5)2-4/h1-2H2InChIKey=OOFDLUQVLPGWMM-UHFFFAOYSA-N57.1Ex 57.06(BP est) -107.57(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)=C) -107.6PredN
C(Cl)(F)(C=C)347394.5134C3H4ClF3-chloro-3-fluoroprop-1-eneN95C(Cl)(F)(C=C)InChI=1S/C3H4ClF/c1-2-3(4)5/h2-3H,1H2InChIKey=OUYIACQXDKRNFZ-UHFFFAOYSA-N34.3Ex 34.30(BP est) -114.74(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C=C) -114.7PredN
ClCOCC347494.538C3H7ClO(chloromethoxy)ethaneN125ClCOCCInChI=1S/C3H7ClO/c1-2-5-3-4/h2-3H2,1H3InChIKey=FCYRSDMGOLYDHL-UHFFFAOYSA-N79.4Ex 89.28(BP est) -79.48(MP est) 83.00(BP exp) ----(MP exp) ClCOCC -79.5PredN
COC(C)Cl347594.538C3H7ClO1-chloro-1-methoxyethaneN125COC(C)ClInChI=1S/C3H7ClO/c1-3(4)5-2/h3H,1-2H3InChIKey=QWELSYQNDFTISP-UHFFFAOYSA-N72.5Ex 60.63(BP est) -95.35(MP est) ----(BP exp) ----(MP exp) COC(C)Cl -95.4PredN
COCCCl347694.538C3H7ClO1-chloro-2-methoxyethaneN125COCCClInChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3InChIKey=XTIGGAHUZJWQMD-UHFFFAOYSA-N90.0Ex 89.28(BP est) -79.48(MP est) 92.50(BP exp) ----(MP exp) COCCCl -79.5PredN
OC(CC)Cl347794.538C3H7ClO1-chloropropan-1-olN125OC(CC)ClInChI=1S/C3H7ClO/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=RZWHKKIXMPLQEM-UHFFFAOYSA-N118.7Ex 118.74(BP est) -59.09(MP est) ----(BP exp) ----(MP exp) OC(CC)Cl -59.1PredN
OC(CCl)C347894.538C3H7ClO1-chloropropan-2-olN125OC(CCl)CInChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=YYTSGNJTASLUOY-UHFFFAOYSA-N127.1Ex 131.33(BP est) -55.41(MP est) 127.00(BP exp) ----(MP exp) OC(CCl)C -55.4PredN
OCC(C)Cl347994.538C3H7ClO2-chloropropan-1-olN125OCC(C)ClInChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=VZIQXGLTRZLBEX-UHFFFAOYSA-N131.8Ex 126.23(BP est) -56.90(MP est) 133.50(BP exp) ----(MP exp) OCC(C)Cl -56.9PredN
OC(C)(C)Cl348094.538C3H7ClO2-chloropropan-2-olN125OC(C)(C)ClInChI=1S/C3H7ClO/c1-3(2,4)5/h5H,1-2H3InChIKey=IRCMREIFELHNEP-UHFFFAOYSA-N85.0Ex 85.04(BP est) -60.22(MP est) ----(BP exp) ----(MP exp) OC(C)(C)Cl -60.2PredN
OC(CCCl)348194.538C3H7ClO3-chloropropan-1-olN125OC(CCCl)InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2InChIKey=LAMUXTNQCICZQX-UHFFFAOYSA-N160.6Ex 152.07(BP est) -41.86(MP est) 165.00(BP exp) ----(MP exp) OC(CCCl) -41.9PredN
NNC(C)Cl348294.542C2H7ClN2(1-chloroethyl)hydrazineN125NNC(C)ClInChI=1S/C2H7ClN2/c1-2(3)5-4/h2,5H,4H2,1H3InChIKey=DTAKAHPXJWWKQL-UHFFFAOYSA-N121.1Ex 121.06(BP est) -26.50(MP est) ----(BP exp) ----(MP exp) NNC(C)Cl -26.5PredN
NNCCCl348394.542C2H7ClN2(2-chloroethyl)hydrazineN125NNCCClInChI=1S/C2H7ClN2/c3-1-2-5-4/h5H,1-2,4H2InChIKey=URAWWWSOINMMIO-UHFFFAOYSA-N147.1Ex 147.13(BP est) -11.39(MP est) ----(BP exp) ----(MP exp) NNCCCl -11.4PredN
CN(N)CCl348494.542C2H7ClN21-(chloromethyl)-1-methylhydrazineN125CN(N)CClInChI=1S/C2H7ClN2/c1-5(4)2-3/h2,4H2,1H3InChIKey=UOPFKVNZZKPVTB-UHFFFAOYSA-N126.9Ex 126.86(BP est) -27.40(MP est) ----(BP exp) ----(MP exp) CN(N)CCl -27.4PredN
CNNCCl348594.542C2H7ClN21-(chloromethyl)-2-methylhydrazineN125CNNCClInChI=1S/C2H7ClN2/c1-4-5-2-3/h4-5H,2H2,1H3InChIKey=ZGMURBBWOPWNKT-UHFFFAOYSA-N129.5Ex 129.51(BP est) -31.83(MP est) ----(BP exp) ----(MP exp) CNNCCl -31.8PredN
ClC1CS1348694.556C2H3ClS2-chlorothiiraneN74ClC1CS1InChI=1S/C2H3ClS/c3-2-1-4-2/h2H,1H2InChIKey=FGZYRCLKRXFBFO-UHFFFAOYSA-N97.6Ex 97.60(BP est) -46.11(MP est) ----(BP exp) ----(MP exp) ClC1CS1 -46.1PredN
ClC#CCl348894.922C2Cl21,2-dichloroethyneN44ClC#CClInChI=1S/C2Cl2/c3-1-2-4InChIKey=ZMJOVJSTYLQINE-UHFFFAOYSA-N33.0Ex 64.56(BP est) -35.44(MP est) 33.00(BP exp) -66.00(MP exp) ClC#CCl -66ExptN
CBr348994.939CH3BrbromomethaneN52CBrInChI=1S/CH3Br/c1-2/h1H3InChIKey=GZUXJHMPEANEGY-UHFFFAOYSA-N3.4Ex 26.06(BP est) -105.39(MP est) 3.50(BP exp) -93.70(MP exp) CBr -93.7ExptY(Gribble 2003)
O=P(CN)O349195.0378CH6NO2P(aminomethyl)phosphinic acidN115O=P(CN)OInChI=1S/CH6NO2P/c2-1-5(3)4/h5H,1-2H2,(H,3,4)InChIKey=OHWRASKXEUIFFB-UHFFFAOYSA-N216.6Ex 216.55(BP est) 17.37(MP est) ----(BP exp) ----(MP exp) O=P(CN)O 17.4PredN
O=P(O)(N)C349395.0378CH6NO2PP-methylphosphonamidic acidN115O=P(O)(N)CInChI=1S/CH6NO2P/c1-5(2,3)4/h1H3,(H3,2,3,4)InChIKey=XQJNSUNTLIFUSQ-UHFFFAOYSA-N214.8Ex 214.78(BP est) 8.66(MP est) ----(BP exp) ----(MP exp) O=P(O)(N)C 8.7PredN
NP(=O)(N)N349495.0418H6N3OPphosphoric triamideN115NP(=O)(N)NInChI=1S/H6N3OP/c1-5(2,3)4/h(H6,1,2,3,4)InChIKey=DMSZORWOGDLWGN-UHFFFAOYSA-N198.0Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) NP(=O)(N)N 90.3PredN
FC(C(N)=O)F349595.0488C2H3F2NO2,2-difluoroacetamideN96FC(C(N)=O)FInChI=1S/C2H3F2NO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=ZMIBIIAWFMCVFD-UHFFFAOYSA-N168.8Ex 168.83(BP est) 22.67(MP est) ----(BP exp) ----(MP exp) FC(C(N)=O)F 22.7PredN
FC1(F)N(O)C1349695.0488C2H3F2NO2,2-difluoroaziridin-1-olN96FC1(F)N(O)C1InChI=1S/C2H3F2NO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=XQCUWCWQABKHPD-UHFFFAOYSA-N174.5Ex 174.46(BP est) 6.67(MP est) ----(BP exp) ----(MP exp) FC1(F)N(O)C1 6.7PredN
FC1(F)NOC1349795.0488C2H3F2NO3,3-difluoro-1,2-oxazetidineN96FC1(F)NOC1InChI=1S/C2H3F2NO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=SIHLJNKFJVSFJH-UHFFFAOYSA-N66.8Ex 66.82(BP est) -32.20(MP est) ----(BP exp) ----(MP exp) FC1(F)NOC1 -32.2PredN
FC1NOC1F349895.0488C2H3F2NO3,4-difluoro-1,2-oxazetidineN96FC1NOC1FInChI=1S/C2H3F2NO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=JCTJHCYGQBIGCP-UHFFFAOYSA-N72.8Ex 72.80(BP est) -44.53(MP est) ----(BP exp) ----(MP exp) FC1NOC1F -44.5PredN
FC1(F)CNO1349995.0488C2H3F2NO4,4-difluoro-1,2-oxazetidineN96FC1(F)CNO1InChI=1S/C2H3F2NO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=KRWDBGSQULGOEE-UHFFFAOYSA-N66.8Ex 66.82(BP est) -32.20(MP est) ----(BP exp) ----(MP exp) FC1(F)CNO1 -32.2PredN
NOC(F)=CF350095.0488C2H3F2NOO-(1,2-difluorovinyl)hydroxylamineN96NOC(F)=CFInChI=1S/C2H3F2NO/c3-1-2(4)6-5/h1H,5H2InChIKey=YKKLCIPLEBEORG-UHFFFAOYSA-N69.6Ex 69.55(BP est) -73.14(MP est) ----(BP exp) ----(MP exp) NOC(F)=CF -73.1PredN
NOC=C(F)F350195.0488C2H3F2NOO-(2,2-difluorovinyl)hydroxylamineN96NOC=C(F)FInChI=1S/C2H3F2NO/c3-2(4)1-6-5/h1H,5H2InChIKey=LQNXSKOPARXNBX-UHFFFAOYSA-N69.6Ex 69.55(BP est) -73.14(MP est) ----(BP exp) ----(MP exp) NOC=C(F)F -73.1PredN
CN(C)C(F)(F)350295.0928C3H7F2N1,1-difluoro-N,N-dimethylmethanamineN136CN(C)C(F)(F)InChI=1S/C3H7F2N/c1-6(2)3(4)5/h3H,1-2H3InChIKey=PULPCFLUVFWKAF-UHFFFAOYSA-N49.0Ex 7.79(BP est) -120.03(MP est) ----(BP exp) ----(MP exp) CN(C)C(F)(F) -120PredN
CNC(F)(F)(C)350395.0928C3H7F2N1,1-difluoro-N-methylethan-1-amineN136CNC(F)(F)(C)InChI=1S/C3H7F2N/c1-3(4,5)6-2/h6H,1-2H3InChIKey=OUWWMRKWTNVJRC-UHFFFAOYSA-N21.4Ex 21.35(BP est) -97.26(MP est) ----(BP exp) ----(MP exp) CNC(F)(F)(C) -97.3PredN
NC(F)(F)(CC)350495.0928C3H7F2N1,1-difluoropropan-1-amineN136NC(F)(F)(CC)InChI=1S/C3H7F2N/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=VMPDLECIJHSRHM-UHFFFAOYSA-N42.1Ex 42.05(BP est) -75.92(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(CC) -75.9PredN
NC(C)(C(F)F)350595.0928C3H7F2N1,1-difluoropropan-2-amineN136NC(C)(C(F)F)InChI=1S/C3H7F2N/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=SKKXZAXLYWERGC-UHFFFAOYSA-N36.6Ex 36.64(BP est) -93.71(MP est) ----(BP exp) ----(MP exp) NC(C)(C(F)F) -93.7PredN
CNC(F)(CF)350695.0928C3H7F2N1,2-difluoro-N-methylethan-1-amineN136CNC(F)(CF)InChI=1S/C3H7F2N/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=LSQUNWPOOAQKED-UHFFFAOYSA-N31.9Ex 31.91(BP est) -102.89(MP est) ----(BP exp) ----(MP exp) CNC(F)(CF) -102.9PredN
NC(F)(C(F)C)350795.0928C3H7F2N1,2-difluoropropan-1-amineN136NC(F)(C(F)C)InChI=1S/C3H7F2N/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=GEAYRDJYTVLGAC-UHFFFAOYSA-N36.6Ex 36.64(BP est) -93.71(MP est) ----(BP exp) ----(MP exp) NC(F)(C(F)C) -93.7PredN
NC(F)(C)(CF)350895.0928C3H7F2N1,2-difluoropropan-2-amineN136NC(F)(C)(CF)InChI=1S/C3H7F2N/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=PXYCUHHVOQJZRC-UHFFFAOYSA-N42.1Ex 42.05(BP est) -75.92(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(CF) -75.9PredN
NC(F)(CCF)350995.0928C3H7F2N1,3-difluoropropan-1-amineN136NC(F)(CCF)InChI=1S/C3H7F2N/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=MSMZOWGGDMSZGN-UHFFFAOYSA-N52.3Ex 52.33(BP est) -81.63(MP est) ----(BP exp) ----(MP exp) NC(F)(CCF) -81.6PredN
NC(CF)(CF)351095.0928C3H7F2N1,3-difluoropropan-2-amineN136NC(CF)(CF)InChI=1S/C3H7F2N/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=IYNBZJOPPCLQGM-UHFFFAOYSA-N52.3Ex 52.33(BP est) -81.63(MP est) ----(BP exp) ----(MP exp) NC(CF)(CF) -81.6PredN
C(F)NC(F)(C)351195.0928C3H7F2N1-fluoro-N-(fluoromethyl)ethan-1-amineN136C(F)NC(F)(C)InChI=1S/C3H7F2N/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=MQRVHXDYQJFKQR-UHFFFAOYSA-N31.9Ex 31.91(BP est) -102.89(MP est) ----(BP exp) ----(MP exp) C(F)NC(F)(C) -102.9PredN
CN(C(F))C(F)351295.0928C3H7F2N1-fluoro-N-(fluoromethyl)-N-methylmethanamineN136CN(C(F))C(F)InChI=1S/C3H7F2N/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=OJEVKRSIHBOIQN-UHFFFAOYSA-N24.1Ex 24.07(BP est) -107.77(MP est) ----(BP exp) ----(MP exp) CN(C(F))C(F) -107.8PredN
CNC(C(F)F)351395.0928C3H7F2N2,2-difluoro-N-methylethan-1-amineN136CNC(C(F)F)InChI=1S/C3H7F2N/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=BFIDWKHKCDJLQE-UHFFFAOYSA-N31.9Ex 31.91(BP est) -102.89(MP est) ----(BP exp) ----(MP exp) CNC(C(F)F) -102.9PredN
NC(C(F)(F)C)351495.0928C3H7F2N2,2-difluoropropan-1-amineN136NC(C(F)(F)C)InChI=1S/C3H7F2N/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=JOYPNXSNFIDVPN-UHFFFAOYSA-N42.1Ex 42.05(BP est) -75.92(MP est) ----(BP exp) ----(MP exp) NC(C(F)(F)C) -75.9PredN
NC(C(F)CF)351595.0928C3H7F2N2,3-difluoropropan-1-amineN136NC(C(F)CF)InChI=1S/C3H7F2N/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=OLGCLBPVJWYHMU-UHFFFAOYSA-N52.3Ex 52.33(BP est) -81.63(MP est) ----(BP exp) ----(MP exp) NC(C(F)CF) -81.6PredN
C(F)NC(CF)351695.0928C3H7F2N2-fluoro-N-(fluoromethyl)ethan-1-amineN136C(F)NC(CF)InChI=1S/C3H7F2N/c4-1-2-6-3-5/h6H,1-3H2InChIKey=WTECYVRNFNXTBW-UHFFFAOYSA-N47.7Ex 47.70(BP est) -90.78(MP est) ----(BP exp) ----(MP exp) C(F)NC(CF) -90.8PredN
NC(CC(F)F)351795.0928C3H7F2N3,3-difluoropropan-1-amineN136NC(CC(F)F)InChI=1S/C3H7F2N/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=ITYSTTQEKQMPKF-UHFFFAOYSA-N52.3Ex 52.33(BP est) -81.63(MP est) ----(BP exp) ----(MP exp) NC(CC(F)F) -81.6PredN
C(F)(F)NC(C)351895.0928C3H7F2NN-(difluoromethyl)ethanamineN136C(F)(F)NC(C)InChI=1S/C3H7F2N/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=GFBKRGHTFYNMBB-UHFFFAOYSA-N31.9Ex 31.91(BP est) -102.89(MP est) ----(BP exp) ----(MP exp) C(F)(F)NC(C) -102.9PredN
O=S(O)CN351995.116CH5NO2Saminomethanesulfinic acidN105O=S(O)CNInChI=1S/CH5NO2S/c2-1-5(3)4/h1-2H2,(H,3,4)InChIKey=ISLGHAYMGURDSU-UHFFFAOYSA-N252.2Ex 252.20(BP est) 52.77(MP est) ----(BP exp) ----(MP exp) O=S(O)CN 52.8PredN
O=S(N)(C)=O352095.116CH5NO2SmethanesulfonamideN105O=S(N)(C)=OInChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)InChIKey=HNQIVZYLYMDVSB-UHFFFAOYSA-N180.1Ex 180.14(BP est) 26.33(MP est) ----(BP exp) ----(MP exp) O=S(N)(C)=O 26.3PredN
ClC1(F)CN1352395.5014C2H3ClFN2-chloro-2-fluoroaziridineN85ClC1(F)CN1InChI=1S/C2H3ClFN/c3-2(4)1-5-2/h5H,1H2InChIKey=LWSHSVGAQSBQDL-UHFFFAOYSA-N70.1Ex 70.06(BP est) -28.12(MP est) ----(BP exp) ----(MP exp) ClC1(F)CN1 -28.1PredN
ClC1C(F)N1352495.5014C2H3ClFN2-chloro-3-fluoroaziridineN85ClC1C(F)N1InChI=1S/C2H3ClFN/c3-1-2(4)5-1/h1-2,5HInChIKey=JFPAOVZPTJAPDT-UHFFFAOYSA-N89.4Ex 89.44(BP est) -36.53(MP est) ----(BP exp) ----(MP exp) ClC1C(F)N1 -36.5PredN
NCOCCl352595.526C2H6ClNO(chloromethoxy)methanamineN115NCOCClInChI=1S/C2H6ClNO/c3-1-5-2-4/h1-2,4H2InChIKey=AERFXLPQZVRDGS-UHFFFAOYSA-N128.4Ex 128.39(BP est) -32.07(MP est) ----(BP exp) ----(MP exp) NCOCCl -32.1PredN
NCC(Cl)O352695.526C2H6ClNO2-amino-1-chloroethan-1-olN115NCC(Cl)OInChI=1S/C2H6ClNO/c3-2(5)1-4/h2,5H,1,4H2InChIKey=AHZYHYXTZOYUEV-UHFFFAOYSA-N156.0Ex 156.01(BP est) -12.22(MP est) ----(BP exp) ----(MP exp) NCC(Cl)O -12.2PredN
NC(Cl)C(O)352795.526C2H6ClNO2-amino-2-chloroethan-1-olN115NC(Cl)C(O)InChI=1S/C2H6ClNO/c3-2(4)1-5/h2,5H,1,4H2InChIKey=VBOHCKYFZJZSJR-UHFFFAOYSA-N163.0Ex 163.01(BP est) -10.17(MP est) ----(BP exp) ----(MP exp) NC(Cl)C(O) -10.2PredN
NC(OC)Cl352895.526C2H6ClNOchloro(methoxy)methanamineN115NC(OC)ClInChI=1S/C2H6ClNO/c1-5-2(3)4/h2H,4H2,1H3InChIKey=BXNWQFGCBNOWEA-UHFFFAOYSA-N101.5Ex 101.45(BP est) -47.44(MP est) ----(BP exp) ----(MP exp) NC(OC)Cl -47.4PredN
ClC(C)NO352995.526C2H6ClNON-(1-chloroethyl)hydroxylamineN115ClC(C)NOInChI=1S/C2H6ClNO/c1-2(3)4-5/h2,4-5H,1H3InChIKey=CRKHBAPHFPLWFX-UHFFFAOYSA-N162.0Ex 162.01(BP est) -25.76(MP est) ----(BP exp) ----(MP exp) ClC(C)NO -25.8PredN
ClCN(O)C353095.526C2H6ClNON-(chloromethyl)-N-methylhydroxylamineN115ClCN(O)CInChI=1S/C2H6ClNO/c1-4(5)2-3/h5H,2H2,1H3InChIKey=ZAPBEKMMJVEPBI-UHFFFAOYSA-N232.3Ex 232.26(BP est) 15.23(MP est) ----(BP exp) ----(MP exp) ClCN(O)C 15.2PredN
ClCNOC353195.526C2H6ClNON-(chloromethyl)-O-methylhydroxylamineN115ClCNOCInChI=1S/C2H6ClNO/c1-5-4-2-3/h4H,2H2,1H3InChIKey=RTGDMVPLPPCXBH-UHFFFAOYSA-N110.2Ex 110.18(BP est) -52.69(MP est) ----(BP exp) ----(MP exp) ClCNOC -52.7PredN
NOC(C)Cl353295.526C2H6ClNOO-(1-chloroethyl)hydroxylamineN115NOC(C)ClInChI=1S/C2H6ClNO/c1-2(3)5-4/h2H,4H2,1H3InChIKey=YGPOFPAEARYZIN-UHFFFAOYSA-N101.5Ex 101.45(BP est) -47.44(MP est) ----(BP exp) ----(MP exp) NOC(C)Cl -47.4PredN
NOCCCl353395.526C2H6ClNOO-(2-chloroethyl)hydroxylamineN115NOCCClInChI=1S/C2H6ClNO/c3-1-2-5-4/h1-2,4H2InChIKey=OKGIAROPPUCMST-UHFFFAOYSA-N128.4Ex 128.39(BP est) -32.07(MP est) ----(BP exp) ----(MP exp) NOCCCl -32.1PredN
CNOCCl353495.526C2H6ClNOO-(chloromethyl)-N-methylhydroxylamineN115CNOCClInChI=1S/C2H6ClNO/c1-4-5-2-3/h4H,2H2,1H3InChIKey=MXWQXUQDPCPRGK-UHFFFAOYSA-N110.2Ex 110.18(BP est) -52.69(MP est) ----(BP exp) ----(MP exp) CNOCCl -52.7PredN
PC(F)=CF353696.0166C2H3F2P(1,2-difluorovinyl)phosphaneN85PC(F)=CFInChI=1S/C2H3F2P/c3-1-2(4)5/h1H,5H2InChIKey=MRTLBQOPNISZGS-UHFFFAOYSA-N39.9Ex 39.85(BP est) -118.87(MP est) ----(BP exp) ----(MP exp) PC(F)=CF -118.9PredN
PC=C(F)F353796.0166C2H3F2P(2,2-difluorovinyl)phosphaneN85PC=C(F)FInChI=1S/C2H3F2P/c3-2(4)1-5/h1H,5H2InChIKey=NKFDWLDISMIIRF-UHFFFAOYSA-N39.9Ex 39.85(BP est) -118.87(MP est) ----(BP exp) ----(MP exp) PC=C(F)F -118.9PredN
FC1(F)CP1353896.0166C2H3F2P2,2-difluorophosphiraneN85FC1(F)CP1InChI=1S/C2H3F2P/c3-2(4)1-5-2/h5H,1H2InChIKey=IJRYTSVQPVVSQC-UHFFFAOYSA-N3.8Ex 3.84(BP est) -105.37(MP est) ----(BP exp) ----(MP exp) FC1(F)CP1 -105.4PredN
FC1C(F)P1353996.0166C2H3F2P2,3-difluorophosphiraneN85FC1C(F)P1InChI=1S/C2H3F2P/c3-1-2(4)5-1/h1-2,5HInChIKey=QPXNQIMHYJEQHA-UHFFFAOYSA-N10.3Ex 10.34(BP est) -117.54(MP est) ----(BP exp) ----(MP exp) FC1C(F)P1 -117.5PredN
O=P(O)OC354096.0218CH5O3Pmethyl hydrogen phosphonateN105O=P(O)OCInChI=1S/CH5O3P/c1-4-5(2)3/h5H,1H3,(H,2,3)InChIKey=QCMYYKRYFNMIEC-UHFFFAOYSA-N184.5Ex 184.50(BP est) -22.51(MP est) ----(BP exp) ----(MP exp) O=P(O)OC -22.5PredN
O=P(O)(C)O354196.0218CH5O3Pmethylphosphonic acidN105O=P(O)(C)OInChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)InChIKey=YACKEPLHDIMKIO-UHFFFAOYSA-N248.4Ex 248.43(BP est) 7.27(MP est) ----(BP exp) 108.50(MP exp) O=P(O)(C)O 108.5ExptY(Metcalf et al. 2012)
NP(=O)(N)O354296.0258H5N2O2Pphosphorodiamidic acidN105NP(=O)(N)OInChI=1S/H5N2O2P/c1-5(2,3)4/h(H5,1,2,3,4)InChIKey=ANCLJVISBRWUTR-UHFFFAOYSA-N191.0Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) NP(=O)(N)O 90.3PredN
OC(=O)C(F)(F)354396.0328C2H2F2O22,2-difluoroacetic acidN86OC(=O)C(F)(F)InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=PBWZKZYHONABLN-UHFFFAOYSA-N133.5Ex 112.79(BP est) -30.94(MP est) 133.00(BP exp) -1.00(MP exp) OC(=O)C(F)(F) -1ExptN
NC(N(F)F)=O354496.0368CH2F2N2O1,1-difluoroureaN86NC(N(F)F)=OInChI=1S/CH2F2N2O/c2-5(3)1(4)6/h(H2,4,6)InChIKey=PEKHMUDWOZYAOC-UHFFFAOYSA-N158.3Ex 158.30(BP est) 13.27(MP est) ----(BP exp) ----(MP exp) NC(N(F)F)=O 13.3PredN
FNC(NF)=O354596.0368CH2F2N2O1,3-difluoroureaN86FNC(NF)=OInChI=1S/CH2F2N2O/c2-4-1(6)5-3/h(H2,4,5,6)InChIKey=VPORZMCRPQERCX-UHFFFAOYSA-N153.5Ex 153.52(BP est) 9.38(MP est) ----(BP exp) ----(MP exp) FNC(NF)=O 9.4PredN
FCPOC354996.0412C2H6FOP(fluoromethyl)(methoxy)phosphaneN115FCPOCInChI=1S/C2H6FOP/c1-4-5-2-3/h5H,2H2,1H3InChIKey=DAKKYUMHXNDILK-UHFFFAOYSA-N41.1Ex 41.07(BP est) -106.36(MP est) ----(BP exp) ----(MP exp) FCPOC -106.4PredN
O=P(C)CF355096.0412C2H6FOP(fluoromethyl)(methyl)phosphine oxideN115O=P(C)CFInChI=1S/C2H6FOP/c1-5(4)2-3/h5H,2H2,1H3InChIKey=CJKRCOFYJSEXCL-UHFFFAOYSA-N84.6Ex 84.58(BP est) -87.27(MP est) ----(BP exp) ----(MP exp) O=P(C)CF -87.3PredN
C(C1F)(C1(F)F)355196.0522C3H3F31,1,2-trifluorocyclopropaneN96C(C1F)(C1(F)F)InChI=1S/C3H3F3/c4-2-1-3(2,5)6/h2H,1H2InChIKey=FLGZTFCSEYVPGT-UHFFFAOYSA-N-17.6Ex -17.64(BP est) -117.09(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(F)F) -117.1PredN
C(C(F)=C(F)F)355296.0522C3H3F31,1,2-trifluoroprop-1-eneN96C(C(F)=C(F)F)InChI=1S/C3H3F3/c1-2(4)3(5)6/h1H3InChIKey=LNGDLROYEAUMEQ-UHFFFAOYSA-N-6.2Ex -6.21(BP est) -149.05(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(F)F) -149.1PredN
C(F)(C=C(F)F)355396.0522C3H3F31,1,3-trifluoroprop-1-eneN96C(F)(C=C(F)F)InChI=1S/C3H3F3/c4-2-1-3(5)6/h1H,2H2InChIKey=URZZGOOCQOQVOC-UHFFFAOYSA-N1.3Ex 1.33(BP est) -139.87(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(F)F) -139.9PredN
C(F)(C1F)(C1F)355496.0522C3H3F31,2,3-trifluorocyclopropaneN96C(F)(C1F)(C1F)InChI=1S/C3H3F3/c4-1-2(5)3(1)6/h1-3HInChIKey=CUZPFBIURYEASM-UHFFFAOYSA-N-11.0Ex -10.99(BP est) -129.22(MP est) ----(BP exp) ----(MP exp) C(F)(C1F)(C1F) -129.2PredN
C(F)(C(F)=CF)355596.0522C3H3F31,2,3-trifluoroprop-1-eneN96C(F)(C(F)=CF)InChI=1S/C3H3F3/c4-1-3(6)2-5/h1H,2H2InChIKey=TXHNVFGQJAAUNB-UHFFFAOYSA-N1.3Ex 1.33(BP est) -139.87(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)=CF) -139.9PredN
C(F)(F)(C=CF)355696.0522C3H3F31,3,3-trifluoroprop-1-eneN96C(F)(F)(C=CF)InChI=1S/C3H3F3/c4-2-1-3(5)6/h1-3HInChIKey=FFTOUVYEKNGDCM-UHFFFAOYSA-N-7.8Ex -7.79(BP est) -143.06(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C=CF) -143.1PredN
C(F)(F)(C(F)=C)355796.0522C3H3F32,3,3-trifluoroprop-1-eneN96C(F)(F)(C(F)=C)InChI=1S/C3H3F3/c1-2(4)3(5)6/h3H,1H2InChIKey=JMRIJKGIVGYIAD-UHFFFAOYSA-N-26.2Ex -26.20(BP est) -153.75(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C(F)=C) -153.8PredN
C(F)(F)(F)(C=C)355896.0522C3H3F33,3,3-trifluoroprop-1-eneN96C(F)(F)(F)(C=C)InChI=1S/C3H3F3/c1-2-3(4,5)6/h2H,1H2InChIKey=FDMFUZHCIRHGRG-UHFFFAOYSA-N-22.0Ex -29.71(BP est) -139.09(MP est) -17.00(BP exp) ----(MP exp) C(F)(F)(F)(C=C) -139.1PredN
C#CP1C=CC1355996.0688C5H5P1-ethynyl-1,2-dihydrophospheteN116C#CP1C=CC1InChI=1S/C5H5P/c1-2-6-4-3-5-6/h1,3-4H,5H2InChIKey=YYNMIVHFKOFSFA-UHFFFAOYSA-N111.8Ex 111.82(BP est) -45.94(MP est) ----(BP exp) ----(MP exp) C#CP1C=CC1 -45.9PredN
CP(C#C)C#C356096.0688C5H5Pdiethynyl(methyl)phosphaneN116CP(C#C)C#CInChI=1S/C5H5P/c1-4-6(3)5-2/h1-2H,3H3InChIKey=DNGKOUNSNWKJKP-UHFFFAOYSA-N106.1Ex 106.13(BP est) -35.59(MP est) ----(BP exp) ----(MP exp) CP(C#C)C#C -35.6PredN
C#CPCC#C356196.0688C5H5Pethynyl(prop-2-yn-1-yl)phosphaneN116C#CPCC#CInChI=1S/C5H5P/c1-3-5-6-4-2/h1-2,6H,5H2InChIKey=HOLMLCHJDZKESW-UHFFFAOYSA-N105.2Ex 105.17(BP est) -35.18(MP est) ----(BP exp) ----(MP exp) C#CPCC#C -35.2PredN
C#CC(P)C#C356296.0688C5H5Ppenta-1,4-diyn-3-ylphosphaneN116C#CC(P)C#CInChI=1S/C5H5P/c1-3-5(6)4-2/h1-2,5H,6H2InChIKey=SJLZECKSIJHBKP-UHFFFAOYSA-N111.3Ex 111.25(BP est) -32.72(MP est) ----(BP exp) ----(MP exp) C#CC(P)C#C -32.7PredN
C(F)(F)OC(C)356396.0768C3H6F2O(difluoromethoxy)ethaneN126C(F)(F)OC(C)InChI=1S/C3H6F2O/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=KJDVOYQUOWRVOA-UHFFFAOYSA-N9.6Ex 9.62(BP est) -124.61(MP est) ----(BP exp) ----(MP exp) C(F)(F)OC(C) -124.6PredN
COC(F)(F)(C)356496.0768C3H6F2O1,1-difluoro-1-methoxyethaneN126COC(F)(F)(C)InChI=1S/C3H6F2O/c1-3(4,5)6-2/h1-2H3InChIKey=KXJKVXPCLHYFFJ-UHFFFAOYSA-N-1.2Ex -1.24(BP est) -119.07(MP est) ----(BP exp) ----(MP exp) COC(F)(F)(C) -119.1PredN
COC(C(F)F)356596.0768C3H6F2O1,1-difluoro-2-methoxyethaneN126COC(C(F)F)InChI=1S/C3H6F2O/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=CRGZRXUKXVTRNO-UHFFFAOYSA-N48.5Ex 9.62(BP est) -124.61(MP est) 48.50(BP exp) ----(MP exp) COC(C(F)F) -124.6PredN
OC(F)(F)(CC)356696.0768C3H6F2O1,1-difluoropropan-1-olN126OC(F)(F)(CC)InChI=1S/C3H6F2O/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=RHZFDRSWJULINI-UHFFFAOYSA-N49.9Ex 49.92(BP est) -84.84(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(CC) -84.8PredN
OC(C)(C(F)F)356796.0768C3H6F2O1,1-difluoropropan-2-olN126OC(C)(C(F)F)InChI=1S/C3H6F2O/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=AKVKBTWZKYWPNV-UHFFFAOYSA-N56.6Ex 56.63(BP est) -99.09(MP est) ----(BP exp) ----(MP exp) OC(C)(C(F)F) -99.1PredN
COC(F)(CF)356896.0768C3H6F2O1,2-difluoro-1-methoxyethaneN126COC(F)(CF)InChI=1S/C3H6F2O/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=HYAPEOONJWHTGU-UHFFFAOYSA-N9.6Ex 9.62(BP est) -124.61(MP est) ----(BP exp) ----(MP exp) COC(F)(CF) -124.6PredN
OC(F)(C(F)C)356996.0768C3H6F2O1,2-difluoropropan-1-olN126OC(F)(C(F)C)InChI=1S/C3H6F2O/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=JEKQZNWOZBLWPV-UHFFFAOYSA-N56.6Ex 56.63(BP est) -99.09(MP est) ----(BP exp) ----(MP exp) OC(F)(C(F)C) -99.1PredN
OC(F)(C)(CF)357096.0768C3H6F2O1,2-difluoropropan-2-olN126OC(F)(C)(CF)InChI=1S/C3H6F2O/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=ZVLZGXNWNSWOCW-UHFFFAOYSA-N49.9Ex 49.92(BP est) -84.84(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(CF) -84.8PredN
OC(F)(CCF)357196.0768C3H6F2O1,3-difluoropropan-1-olN126OC(F)(CCF)InChI=1S/C3H6F2O/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=CYWOUUWCMAHIGZ-UHFFFAOYSA-N71.9Ex 71.90(BP est) -87.14(MP est) ----(BP exp) ----(MP exp) OC(F)(CCF) -87.1PredN
OC(CF)(CF)357296.0768C3H6F2O1,3-difluoropropan-2-olN126OC(CF)(CF)InChI=1S/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=PVDLUGWWIOGCNH-UHFFFAOYSA-N71.9Ex 71.90(BP est) -87.14(MP est) ----(BP exp) ----(MP exp) OC(CF)(CF) -87.1PredN
C(F)OC(F)(C)357396.0768C3H6F2O1-fluoro-1-(fluoromethoxy)ethaneN126C(F)OC(F)(C)InChI=1S/C3H6F2O/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=SZGZGUYIJDIGSU-UHFFFAOYSA-N9.6Ex 9.62(BP est) -124.61(MP est) ----(BP exp) ----(MP exp) C(F)OC(F)(C) -124.6PredN
C(F)OC(CF)357496.0768C3H6F2O1-fluoro-2-(fluoromethoxy)ethaneN126C(F)OC(CF)InChI=1S/C3H6F2O/c4-1-2-6-3-5/h1-3H2InChIKey=VRKASGDGZLYKIO-UHFFFAOYSA-N25.9Ex 25.86(BP est) -112.37(MP est) ----(BP exp) ----(MP exp) C(F)OC(CF) -112.4PredN
OC(C(F)(F)C)357596.0768C3H6F2O2,2-difluoropropan-1-olN126OC(C(F)(F)C)InChI=1S/C3H6F2O/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=CKLONJANQGBREW-UHFFFAOYSA-N101.5Ex 70.06(BP est) -78.96(MP est) ----(BP exp) ----(MP exp) OC(C(F)(F)C) -79PredN
OC(C(F)CF)357696.0768C3H6F2O2,3-difluoropropan-1-olN126OC(C(F)CF)InChI=1S/C3H6F2O/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=DSUJAEUBQCDOIH-UHFFFAOYSA-N80.0Ex 79.95(BP est) -84.78(MP est) ----(BP exp) ----(MP exp) OC(C(F)CF) -84.8PredN
OC(CC(F)F)357796.0768C3H6F2O3,3-difluoropropan-1-olN126OC(CC(F)F)InChI=1S/C3H6F2O/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=NKLMUTXYDLKTQU-UHFFFAOYSA-N80.0Ex 79.95(BP est) -84.78(MP est) ----(BP exp) ----(MP exp) OC(CC(F)F) -84.8PredN
NNC(F)(F)(C)357896.0808C2H6F2N2(1,1-difluoroethyl)hydrazineN126NNC(F)(F)(C)InChI=1S/C2H6F2N2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=QFZDRMVKALDIKK-UHFFFAOYSA-N64.4Ex 64.42(BP est) -48.69(MP est) ----(BP exp) ----(MP exp) NNC(F)(F)(C) -48.7PredN
NNC(F)(CF)357996.0808C2H6F2N2(1,2-difluoroethyl)hydrazineN126NNC(F)(CF)InChI=1S/C2H6F2N2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=YLNDSMWNTILNOS-UHFFFAOYSA-N74.4Ex 74.39(BP est) -54.49(MP est) ----(BP exp) ----(MP exp) NNC(F)(CF) -54.5PredN
NNC(C(F)F)358096.0808C2H6F2N2(2,2-difluoroethyl)hydrazineN126NNC(C(F)F)InChI=1S/C2H6F2N2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=YSIWOENJQAUPPK-UHFFFAOYSA-N74.4Ex 74.39(BP est) -54.49(MP est) ----(BP exp) ----(MP exp) NNC(C(F)F) -54.5PredN
CN(C(F)(F))N358196.0808C2H6F2N21-(difluoromethyl)-1-methylhydrazineN126CN(C(F)(F))NInChI=1S/C2H6F2N2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=VVLQGSFWHYAIGT-UHFFFAOYSA-N51.6Ex 51.61(BP est) -71.24(MP est) ----(BP exp) ----(MP exp) CN(C(F)(F))N -71.2PredN
CNNC(F)(F)358296.0808C2H6F2N21-(difluoromethyl)-2-methylhydrazineN126CNNC(F)(F)InChI=1S/C2H6F2N2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=PWGOHSLDXCQADB-UHFFFAOYSA-N54.6Ex 54.58(BP est) -75.58(MP est) ----(BP exp) ----(MP exp) CNNC(F)(F) -75.6PredN
C(F)N(C(F))N358396.0808C2H6F2N21,1-bis(fluoromethyl)hydrazineN126C(F)N(C(F))NInChI=1S/C2H6F2N2/c3-1-6(5)2-4/h1-2,5H2InChIKey=YBHHVTDKDHAUDD-UHFFFAOYSA-N67.0Ex 66.99(BP est) -59.25(MP est) ----(BP exp) ----(MP exp) C(F)N(C(F))N -59.3PredN
C(F)NNC(F)358496.0808C2H6F2N21,2-bis(fluoromethyl)hydrazineN126C(F)NNC(F)InChI=1S/C2H6F2N2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=SNZFFDOFOSJFFC-UHFFFAOYSA-N69.9Ex 69.90(BP est) -63.60(MP est) ----(BP exp) ----(MP exp) C(F)NNC(F) -63.6PredN
FC1(F)CS1358596.0948C2H2F2S2,2-difluorothiiraneN75FC1(F)CS1InChI=1S/C2H2F2S/c3-2(4)1-5-2/h1H2InChIKey=KZHNBUKARHWBOI-UHFFFAOYSA-N35.4Ex 35.42(BP est) -66.68(MP est) ----(BP exp) ----(MP exp) FC1(F)CS1 -66.7PredN
FC1C(F)S1358696.0948C2H2F2S2,3-difluorothiiraneN75FC1C(F)S1InChI=1S/C2H2F2S/c3-1-2(4)5-1/h1-2HInChIKey=WHEHARLKIQJDDA-UHFFFAOYSA-N41.7Ex 41.66(BP est) -78.93(MP est) ----(BP exp) ----(MP exp) FC1C(F)S1 -78.9PredN
CS(=O)(O)=O358796.1CH4O3Smethanesulfonic acidN95CS(=O)(O)=OInChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)InChIKey=AFVFQIVMOAPDHO-UHFFFAOYSA-N277.0Ex 216.66(BP est) 25.77(MP est) ----(BP exp) 20.00(MP exp) CS(=O)(O)=O 20ExptY(Bentley and Chasteen 2004)
O=S(O)OC358896.1CH4O3Smethyl hydrogen sulfiteN95O=S(O)OCInChI=1S/CH4O3S/c1-4-5(2)3/h1H3,(H,2,3)InChIKey=QFUDHWDUKUCCHZ-UHFFFAOYSA-N223.0Ex 222.99(BP est) 13.73(MP est) ----(BP exp) ----(MP exp) O=S(O)OC 13.7PredN
O=S(=O)(N)N358996.104H4N2O2Ssulfuric diamideN95O=S(=O)(N)NInChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)InChIKey=NVBFHJWHLNUMCV-UHFFFAOYSA-N110.3Ex 581.45(BP est) 250.65(MP est) ----(BP exp) ----(MP exp) O=S(=O)(N)N 250.7PredN
F[Si](O)(O)C359096.1324CH5FO2Sifluoro(methyl)silanediolN105F[Si](O)(O)CInChI=1S/CH5FO2Si/c1-5(2,3)4/h3-4H,1H3InChIKey=PVSXBUXZKLWSSG-UHFFFAOYSA-N165.4Ex 165.36(BP est) -29.57(MP est) ----(BP exp) ----(MP exp) F[Si](O)(O)C -29.6PredN
C1=CC1=CC=S359196.147C5H4S2-(cycloprop-2-en-1-ylidene)ethanethialN106C1=CC1=CC=SInChI=1S/C5H4S/c6-4-3-5-1-2-5/h1-4HInChIKey=SWDXBOBXFXGCCT-UHFFFAOYSA-N70.8Ex 70.82(BP est) -76.12(MP est) ----(BP exp) ----(MP exp) C1=CC1=CC=S -76.1PredN
C#CCC1=CS1359296.147C5H4S2-(prop-2-yn-1-yl)thiireneN106C#CCC1=CS1InChI=1S/C5H4S/c1-2-3-5-4-6-5/h1,4H,3H2InChIKey=JNKCCLUFIBIAAQ-UHFFFAOYSA-N134.0Ex 133.98(BP est) -1.30(MP est) ----(BP exp) ----(MP exp) C#CCC1=CS1 -1.3PredN
CC(S1)=C1C#C359396.147C5H4S2-ethynyl-3-methylthiireneN106CC(S1)=C1C#CInChI=1S/C5H4S/c1-3-5-4(2)6-5/h1H,2H3InChIKey=ZTKFXBJLVIBNNJ-UHFFFAOYSA-N132.0Ex 132.03(BP est) 4.39(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1C#C 4.4PredN
C1(S2)=C2C=CC1359496.147C5H4S6-thiabicyclo[3.1.0]hexa-1(5),2-dieneN106C1(S2)=C2C=CC1InChI=1S/C5H4S/c1-2-4-5(3-1)6-4/h1-2H,3H2InChIKey=NLUFWVLWNYOWKJ-UHFFFAOYSA-N137.5Ex 137.48(BP est) -6.03(MP est) ----(BP exp) ----(MP exp) C1(S2)=C2C=CC1 -6PredN
S=C/1/C=C\C=C\1359596.147C5H4Scyclopenta-2,4-diene-1-thioneN106S=C/1/C=C\C=C\1InChI=1S/C5H4S/c6-5-3-1-2-4-5/h1-4HInChIKey=LTVUVBXSNMDXAL-UHFFFAOYSA-N209.9Ex 209.92(BP est) -9.61(MP est) ----(BP exp) ----(MP exp) S=C/1/C=C\C=C\1 -9.6PredN
SC(C#C)C#C359696.147C5H4Spenta-1,4-diyne-3-thiolN106SC(C#C)C#CInChI=1S/C5H4S/c1-3-5(6)4-2/h1-2,5-6HInChIKey=CCBBVIBUCPXJBR-UHFFFAOYSA-N132.9Ex 132.88(BP est) -23.86(MP est) ----(BP exp) ----(MP exp) SC(C#C)C#C -23.9PredN
F[Si](C)(C)F359796.1518C2H6F2SidifluorodimethylsilaneN115F[Si](C)(C)FInChI=1S/C2H6F2Si/c1-5(2,3)4/h1-2H3InChIKey=XRRDNAZMVAXXQP-UHFFFAOYSA-N-31.1Ex -31.05(BP est) -141.80(MP est) ----(BP exp) ----(MP exp) F[Si](C)(C)F -141.8PredN
C[Si]1(CC1)C#C359896.204C5H8Si1-ethynyl-1-methylsiliraneN146C[Si]1(CC1)C#CInChI=1S/C5H8Si/c1-3-6(2)4-5-6/h1H,4-5H2,2H3InChIKey=WERJJAVXHLHDEZ-UHFFFAOYSA-N48.9Ex 48.94(BP est) -25.31(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1)C#C -25.3PredN
[Si]12(CC=C2)CC1359996.204C5H8Si3-silaspiro[2.3]hex-4-eneN146[Si]12(CC=C2)CC1InChI=1S/C5H8Si/c1-2-6(3-1)4-5-6/h1-2H,3-5H2InChIKey=IVXDSGGYFICZJW-UHFFFAOYSA-N55.1Ex 55.13(BP est) -35.52(MP est) ----(BP exp) ----(MP exp) [Si]12(CC=C2)CC1 -35.5PredN
O=PCCl360196.4498CH2ClOP(chloromethyl)(oxo)phosphaneN64O=PCClInChI=1S/CH2ClOP/c2-1-4-3/h1H2InChIKey=XUHOACLGQWANMS-UHFFFAOYSA-N124.5Ex 124.47(BP est) -58.41(MP est) ----(BP exp) ----(MP exp) O=PCCl -58.4PredN
C(=O)C(Cl)(F)360296.4854C2H2ClFO2-chloro-2-fluoroacetaldehydeN75C(=O)C(Cl)(F)InChI=1S/C2H2ClFO/c3-2(4)1-5/h1-2HInChIKey=AVAHZUUYBFUOPN-UHFFFAOYSA-N75.6Ex 75.60(BP est) -86.43(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(F) -86.4PredN
ClC1(F)CO1360396.4854C2H2ClFO2-chloro-2-fluorooxiraneN75ClC1(F)CO1InChI=1S/C2H2ClFO/c3-2(4)1-5-2/h1H2InChIKey=VBABYXDQBXUZIS-UHFFFAOYSA-N35.5Ex 35.51(BP est) -77.43(MP est) ----(BP exp) ----(MP exp) ClC1(F)CO1 -77.4PredN
ClC1C(F)O1360496.4854C2H2ClFO2-chloro-3-fluorooxiraneN75ClC1C(F)O1InChI=1S/C2H2ClFO/c3-1-2(4)5-1/h1-2HInChIKey=IVCPKMMXDZLSPQ-UHFFFAOYSA-N55.8Ex 55.83(BP est) -85.57(MP est) ----(BP exp) ----(MP exp) ClC1C(F)O1 -85.6PredN
ClC(P)C360596.4938C2H6ClP(1-chloroethyl)phosphaneN104ClC(P)CInChI=1S/C2H6ClP/c1-2(3)4/h2H,4H2,1H3InChIKey=QUQIIYHOFXMCLJ-UHFFFAOYSA-N73.1Ex 73.11(BP est) -92.77(MP est) ----(BP exp) ----(MP exp) ClC(P)C -92.8PredN
ClCCP360696.4938C2H6ClP(2-chloroethyl)phosphaneN104ClCCPInChI=1S/C2H6ClP/c3-1-2-4/h1-2,4H2InChIKey=PWMMURYQMINLIQ-UHFFFAOYSA-N101.3Ex 101.25(BP est) -77.06(MP est) ----(BP exp) ----(MP exp) ClCCP -77.1PredN
CPCCl360796.4938C2H6ClP(chloromethyl)(methyl)phosphaneN104CPCClInChI=1S/C2H6ClP/c1-4-2-3/h4H,2H2,1H3InChIKey=DSHGMTJBCAUMGV-UHFFFAOYSA-N80.3Ex 80.31(BP est) -91.35(MP est) ----(BP exp) ----(MP exp) CPCCl -91.4PredN
OCOCCl360896.51C2H5ClO2(chloromethoxy)methanolN105OCOCClInChI=1S/C2H5ClO2/c3-1-5-2-4/h4H,1-2H2InChIKey=UTVPUQMUEINDAG-UHFFFAOYSA-N152.9Ex 152.92(BP est) -36.13(MP est) ----(BP exp) ----(MP exp) OCOCCl -36.1PredN
OCC(O)(Cl)360996.51C2H5ClO21-chloroethane-1,2-diolN105OCC(O)(Cl)InChI=1S/C2H5ClO2/c3-2(5)1-4/h2,4-5H,1H2InChIKey=VVKFXODVPQSIHU-UHFFFAOYSA-N179.3Ex 179.32(BP est) -16.63(MP est) ----(BP exp) ----(MP exp) OCC(O)(Cl) -16.6PredN
OC(OC)Cl361096.51C2H5ClO2chloro(methoxy)methanolN105OC(OC)ClInChI=1S/C2H5ClO2/c1-5-2(3)4/h2,4H,1H3InChIKey=YQFYLRPOOHUWSQ-UHFFFAOYSA-N119.6Ex 119.64(BP est) -53.35(MP est) ----(BP exp) ----(MP exp) OC(OC)Cl -53.4PredN
C(CC(Cl)F)361196.5294C3H6ClF1-chloro-1-fluoropropaneN115C(CC(Cl)F)InChI=1S/C3H6ClF/c1-2-3(4)5/h3H,2H2,1H3InChIKey=OPLWDQVQIWKMSG-UHFFFAOYSA-N36.3Ex 36.27(BP est) -113.28(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)F) -113.3PredN
C(C(F)CCl)361296.5294C3H6ClF1-chloro-2-fluoropropaneN115C(C(F)CCl)InChI=1S/C3H6ClF/c1-3(5)2-4/h3H,2H2,1H3InChIKey=WRETZNXZFYSOHE-UHFFFAOYSA-N66.0Ex 50.50(BP est) -109.13(MP est) ----(BP exp) ----(MP exp) C(C(F)CCl) -109.1PredN
C(Cl)(CCF)361396.5294C3H6ClF1-chloro-3-fluoropropaneN115C(Cl)(CCF)InChI=1S/C3H6ClF/c4-2-1-3-5/h1-3H2InChIKey=PFDZQZAOZNELDX-UHFFFAOYSA-N82.5Ex 65.90(BP est) -97.13(MP est) 80.00(BP exp) ----(MP exp) C(Cl)(CCF) -97.1PredN
C(C(Cl)CF)361496.5294C3H6ClF2-chloro-1-fluoropropaneN115C(C(Cl)CF)InChI=1S/C3H6ClF/c1-3(4)2-5/h3H,2H2,1H3InChIKey=AAHDCDVGQFGFOJ-UHFFFAOYSA-N36.3Ex 36.27(BP est) -113.28(MP est) ----(BP exp) ----(MP exp) C(C(Cl)CF) -113.3PredN
C(C(Cl)(F)C)361596.5294C3H6ClF2-chloro-2-fluoropropaneN115C(C(Cl)(F)C)InChI=1S/C3H6ClF/c1-3(2,4)5/h1-2H3InChIKey=MFDRISGAWJUQIQ-UHFFFAOYSA-N35.2Ex 11.12(BP est) -111.91(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(F)C) -111.9PredN
CSCCl361696.572C2H5ClS(chloromethyl)(methyl)sulfaneN94CSCClInChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3InChIKey=JWMLCCRPDOIBAV-UHFFFAOYSA-N104.9Ex 109.19(BP est) -73.22(MP est) 105.00(BP exp) ----(MP exp) CSCCl -73.2PredN
SC(C)Cl361796.572C2H5ClS1-chloroethane-1-thiolN94SC(C)ClInChI=1S/C2H5ClS/c1-2(3)4/h2,4H,1H3InChIKey=AVNKBORAZHJHQE-UHFFFAOYSA-N96.1Ex 96.06(BP est) -83.53(MP est) ----(BP exp) ----(MP exp) SC(C)Cl -83.5PredN
SCCCl361896.572C2H5ClS2-chloroethane-1-thiolN94SCCClInChI=1S/C2H5ClS/c3-1-2-4/h4H,1-2H2InChIKey=ITHKUADHDKZENI-UHFFFAOYSA-N113.0Ex 123.23(BP est) -68.09(MP est) 113.00(BP exp) ----(MP exp) SCCCl -68.1PredN
C=C(Cl)Cl362196.938C2H2Cl21,1-dichloroetheneN64C=C(Cl)ClInChI=1S/C2H2Cl2/c1-2(3)4/h1H2InChIKey=LGXVIGDEPROXKC-UHFFFAOYSA-N31.9Ex 36.90(BP est) -104.43(MP est) 31.60(BP exp) -122.50(MP exp) C=C(Cl)Cl -122.5ExptN
C(Cl)=C(Cl)362296.938C2H2Cl21,2-dichloroetheneN64C(Cl)=C(Cl)InChI=1S/C2H2Cl2/c3-1-2-4/h1-2HInChIKey=KFUSEUYYWQURPO-UHFFFAOYSA-N54.4Ex 53.95(BP est) -94.13(MP est) 55.00(BP exp) -57.00(MP exp) C(Cl)=C(Cl) -57ExptN
NP(=O)(O)O362397.0098H4NO3Pphosphoramidic acidN95NP(=O)(O)OInChI=1S/H4NO3P/c1-5(2,3)4/h(H4,1,2,3,4)InChIKey=PTMHPRAIXMAOOB-UHFFFAOYSA-N203.8Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) NP(=O)(O)O 90.3PredN
FC1C(F)(F)N1362497.0402C2H2F3N2,2,3-trifluoroaziridineN86FC1C(F)(F)N1InChI=1S/C2H2F3N/c3-1-2(4,5)6-1/h1,6HInChIKey=PFHKZVWLYGZGEJ-UHFFFAOYSA-N26.5Ex 26.51(BP est) -57.32(MP est) ----(BP exp) ----(MP exp) FC1C(F)(F)N1 -57.3PredN
NCOC(F)(F)362597.0648C2H5F2NO(difluoromethoxy)methanamineN116NCOC(F)(F)InChI=1S/C2H5F2NO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=SNVMSQOISCAFSZ-UHFFFAOYSA-N53.3Ex 53.33(BP est) -75.86(MP est) ----(BP exp) ----(MP exp) NCOC(F)(F) -75.9PredN
NCC(O)(F)(F)362697.0648C2H5F2NO2-amino-1,1-difluoroethan-1-olN116NCC(O)(F)(F)InChI=1S/C2H5F2NO/c3-2(4,6)1-5/h6H,1,5H2InChIKey=HCHABJOKGLBJLE-UHFFFAOYSA-N91.4Ex 91.37(BP est) -36.75(MP est) ----(BP exp) ----(MP exp) NCC(O)(F)(F) -36.8PredN
NC(F)C(O)(F)362797.0648C2H5F2NO2-amino-1,2-difluoroethan-1-olN116NC(F)C(O)(F)InChI=1S/C2H5F2NO/c3-1(5)2(4)6/h1-2,6H,5H2InChIKey=DMHMTKNVEYSNKW-UHFFFAOYSA-N97.7Ex 97.68(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) NC(F)C(O)(F) -51.1PredN
NC(F)(F)C(O)362897.0648C2H5F2NO2-amino-2,2-difluoroethan-1-olN116NC(F)(F)C(O)InChI=1S/C2H5F2NO/c3-2(4,5)1-6/h6H,1,5H2InChIKey=WRXSEFQZJGVKIL-UHFFFAOYSA-N110.3Ex 110.33(BP est) -31.21(MP est) ----(BP exp) ----(MP exp) NC(F)(F)C(O) -31.2PredN
NC(F)(F)OC362997.0648C2H5F2NOdifluoro(methoxy)methanamineN116NC(F)(F)OCInChI=1S/C2H5F2NO/c1-6-2(3,4)5/h5H2,1H3InChIKey=RUYMEUNWLVNKMG-UHFFFAOYSA-N43.1Ex 43.06(BP est) -70.14(MP est) ----(BP exp) ----(MP exp) NC(F)(F)OC -70.1PredN
NC(F)OC(F)363097.0648C2H5F2NOfluoro(fluoromethoxy)methanamineN116NC(F)OC(F)InChI=1S/C2H5F2NO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=ILUZKCMPVXYZFJ-UHFFFAOYSA-N53.3Ex 53.33(BP est) -75.86(MP est) ----(BP exp) ----(MP exp) NC(F)OC(F) -75.9PredN
FC(F)(C)NO363197.0648C2H5F2NON-(1,1-difluoroethyl)hydroxylamineN116FC(F)(C)NOInChI=1S/C2H5F2NO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=KEEKIZLIPJZHPI-UHFFFAOYSA-N109.2Ex 109.22(BP est) -46.83(MP est) ----(BP exp) ----(MP exp) FC(F)(C)NO -46.8PredN
FC(F)N(O)C363297.0648C2H5F2NON-(difluoromethyl)-N-methylhydroxylamineN116FC(F)N(O)CInChI=1S/C2H5F2NO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=VTENTNSDOPZMMR-UHFFFAOYSA-N171.2Ex 171.22(BP est) -24.46(MP est) ----(BP exp) ----(MP exp) FC(F)N(O)C -24.5PredN
FC(F)NOC363397.0648C2H5F2NON-(difluoromethyl)-O-methylhydroxylamineN116FC(F)NOCInChI=1S/C2H5F2NO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=MDYOTMXDMNSUKO-UHFFFAOYSA-N32.9Ex 32.94(BP est) -97.11(MP est) ----(BP exp) ----(MP exp) FC(F)NOC -97.1PredN
FCNOCF363497.0648C2H5F2NON,O-bis(fluoromethyl)hydroxylamineN116FCNOCFInChI=1S/C2H5F2NO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=NYKBSXRMEVQBRM-UHFFFAOYSA-N48.7Ex 48.71(BP est) -85.01(MP est) ----(BP exp) ----(MP exp) FCNOCF -85PredN
NOC(F)(C)F363597.0648C2H5F2NOO-(1,1-difluoroethyl)hydroxylamineN116NOC(F)(C)FInChI=1S/C2H5F2NO/c1-2(3,4)6-5/h5H2,1H3InChIKey=VGCLCRAPSKYTLG-UHFFFAOYSA-N43.1Ex 43.06(BP est) -70.14(MP est) ----(BP exp) ----(MP exp) NOC(F)(C)F -70.1PredN
NOC(CF)F363697.0648C2H5F2NOO-(1,2-difluoroethyl)hydroxylamineN116NOC(CF)FInChI=1S/C2H5F2NO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=NFKMIOYSVOHTPH-UHFFFAOYSA-N53.3Ex 53.33(BP est) -75.86(MP est) ----(BP exp) ----(MP exp) NOC(CF)F -75.9PredN
NOCC(F)F363797.0648C2H5F2NOO-(2,2-difluoroethyl)hydroxylamineN116NOCC(F)FInChI=1S/C2H5F2NO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=VSTGTQIRSDLUAQ-UHFFFAOYSA-N53.3Ex 53.33(BP est) -75.86(MP est) ----(BP exp) ----(MP exp) NOCC(F)F -75.9PredN
CNOC(F)F363897.0648C2H5F2NOO-(difluoromethyl)-N-methylhydroxylamineN116CNOC(F)FInChI=1S/C2H5F2NO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=VGKGTSDVSSGZTH-UHFFFAOYSA-N32.9Ex 32.94(BP est) -97.11(MP est) ----(BP exp) ----(MP exp) CNOC(F)F -97.1PredN
O=S(O)(N)=O363997.088H3NO3Ssulfamic acidN85O=S(O)(N)=OInChI=1S/H3NO3S/c1-5(2,3)4/h(H3,1,2,3,4)InChIKey=IIACRCGMVDHOTQ-UHFFFAOYSA-N134.1Ex 602.67(BP est) 260.56(MP est) ----(BP exp) 205.00(MP exp) O=S(O)(N)=O 205ExptN
S=C=NC=C=C364097.135C4H3NS1-isothiocyanatopropa-1,2-dieneN96S=C=NC=C=CInChI=1S/C4H3NS/c1-2-3-5-4-6/h3H,1H2InChIKey=JNSHDMBXJYQLES-UHFFFAOYSA-N137.6Ex 137.64(BP est) -35.88(MP est) ----(BP exp) ----(MP exp) S=C=NC=C=C -35.9PredN
N#CSC#CC364197.135C4H3NS1-thiocyanatoprop-1-yneN96N#CSC#CCInChI=1S/C4H3NS/c1-2-3-6-4-5/h1H3InChIKey=MDZISBCZSVCUHR-UHFFFAOYSA-N197.8Ex 197.83(BP est) 23.62(MP est) ----(BP exp) ----(MP exp) N#CSC#CC 23.6PredN
N#CSC=C=C364297.135C4H3NS1-thiocyanatopropa-1,2-dieneN96N#CSC=C=CInChI=1S/C4H3NS/c1-2-3-6-4-5/h3H,1H2InChIKey=VFLRDFRTMXRQBU-UHFFFAOYSA-N183.2Ex 183.21(BP est) -20.43(MP est) ----(BP exp) ----(MP exp) N#CSC=C=C -20.4PredN
CC(=C=S)C#N364397.135C4H3NS2-methyl-3-thioxoacrylonitrileN96CC(=C=S)C#NInChI=1S/C4H3NS/c1-4(2-5)3-6/h1H3InChIKey=JVNKCKJIWNOJCT-UHFFFAOYSA-N118.9Ex 118.93(BP est) -58.90(MP est) ----(BP exp) ----(MP exp) CC(=C=S)C#N -58.9PredN
S=C=NCC#C364497.135C4H3NS3-isothiocyanatoprop-1-yneN96S=C=NCC#CInChI=1S/C4H3NS/c1-2-3-5-4-6/h1H,3H2InChIKey=XCXOHPXTLZMKQJ-UHFFFAOYSA-N145.4Ex 145.40(BP est) -12.51(MP est) ----(BP exp) ----(MP exp) S=C=NCC#C -12.5PredN
N#CSCC#C364597.135C4H3NS3-thiocyanatoprop-1-yneN96N#CSCC#CInChI=1S/C4H3NS/c1-2-3-6-4-5/h1H,3H2InChIKey=XKFMIGCQSCAJAF-UHFFFAOYSA-N190.3Ex 190.30(BP est) 2.75(MP est) ----(BP exp) ----(MP exp) N#CSCC#C 2.8PredN
NC(Cl)(F)(C)364697.5174C2H5ClFN1-chloro-1-fluoroethan-1-amineN105NC(Cl)(F)(C)InChI=1S/C2H5ClFN/c1-2(3,4)5/h5H2,1H3InChIKey=OPMWDTBLHRBOPV-UHFFFAOYSA-N54.8Ex 54.75(BP est) -63.18(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(C) -63.2PredN
CNC(Cl)(F)364797.5174C2H5ClFN1-chloro-1-fluoro-N-methylmethanamineN105CNC(Cl)(F)InChI=1S/C2H5ClFN/c1-5-2(3)4/h2,5H,1H3InChIKey=PQFREWJJDHZKFX-UHFFFAOYSA-N58.8Ex 58.81(BP est) -86.01(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(F) -86PredN
NC(Cl)(CF)364897.5174C2H5ClFN1-chloro-2-fluoroethan-1-amineN105NC(Cl)(CF)InChI=1S/C2H5ClFN/c3-2(5)1-4/h2H,1,5H2InChIKey=UDKWOHMVOYHUPI-UHFFFAOYSA-N78.5Ex 78.50(BP est) -64.96(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CF) -65PredN
C(Cl)NC(F)364997.5174C2H5ClFN1-chloro-N-(fluoromethyl)methanamineN105C(Cl)NC(F)InChI=1S/C2H5ClFN/c3-1-5-2-4/h5H,1-2H2InChIKey=HTUOFWYIJHGCHL-UHFFFAOYSA-N87.5Ex 87.54(BP est) -70.12(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(F) -70.1PredN
NC(F)(CCl)365097.5174C2H5ClFN2-chloro-1-fluoroethan-1-amineN105NC(F)(CCl)InChI=1S/C2H5ClFN/c3-1-2(4)5/h2H,1,5H2InChIKey=AEMLFMJGBBLMNS-UHFFFAOYSA-N91.9Ex 91.91(BP est) -61.04(MP est) ----(BP exp) ----(MP exp) NC(F)(CCl) -61PredN
NC(C(Cl)F)365197.5174C2H5ClFN2-chloro-2-fluoroethan-1-amineN105NC(C(Cl)F)InChI=1S/C2H5ClFN/c3-2(4)1-5/h2H,1,5H2InChIKey=ANDCGAYBYYMAJG-UHFFFAOYSA-N78.5Ex 78.50(BP est) -64.96(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)F) -65PredN
O=PC(F)F365297.9886CHF2OP(difluoromethyl)(oxo)phosphaneN65O=PC(F)FInChI=1S/CHF2OP/c2-1(3)5-4/h1HInChIKey=UEFLOYGMHPJVQH-UHFFFAOYSA-N48.9Ex 48.93(BP est) -102.34(MP est) ----(BP exp) ----(MP exp) O=PC(F)F -102.3PredN
O=P(O)(O)O365397.9938H3O4Pphosphoric acidN85O=P(O)(O)OInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)InChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-N206.1Ex 480.00(BP est) 90.27(MP est) ----(BP exp) 42.35(MP exp) O=P(O)(O)O 42.4ExptY(Guo et al. 2013, Wishart et al. 2013)
O=P(CF)O365498.0132CH4FO2P(fluoromethyl)phosphinic acidN95O=P(CF)OInChI=1S/CH4FO2P/c2-1-5(3)4/h5H,1H2,(H,3,4)InChIKey=VRQISVWOSIUOJK-UHFFFAOYSA-N164.7Ex 164.71(BP est) -39.10(MP est) ----(BP exp) ----(MP exp) O=P(CF)O -39.1PredN
C(=O)C(F)(F)(F)365698.0242C2HF3O2,2,2-trifluoroacetaldehydeN76C(=O)C(F)(F)(F)InChI=1S/C2HF3O/c3-2(4,5)1-6/h1HInChIKey=JVTSHOJDBRTPHD-UHFFFAOYSA-N-18.4Ex 14.98(BP est) -109.79(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(F)(F) -109.8PredN
FC1C(F)(F)O1365798.0242C2HF3O2,2,3-trifluorooxiraneN76FC1C(F)(F)O1InChI=1S/C2HF3O/c3-1-2(4,5)6-1/h1HInChIKey=AJCMVKBTUWFCKH-UHFFFAOYSA-N-42.0Ex -10.09(BP est) -107.24(MP est) ----(BP exp) ----(MP exp) FC1C(F)(F)O1 -107.2PredN
PC(C)(F)F365898.0326C2H5F2P(1,1-difluoroethyl)phosphaneN105PC(C)(F)FInChI=1S/C2H5F2P/c1-2(3,4)5/h5H2,1H3InChIKey=JDGYHTXXXJPYOZ-UHFFFAOYSA-N12.3Ex 12.27(BP est) -116.19(MP est) ----(BP exp) ----(MP exp) PC(C)(F)F -116.2PredN
PC(F)CF365998.0326C2H5F2P(1,2-difluoroethyl)phosphaneN105PC(F)CFInChI=1S/C2H5F2P/c3-1-2(4)5/h2H,1,5H2InChIKey=QKWZZVQDIGDKGH-UHFFFAOYSA-N23.0Ex 22.96(BP est) -121.78(MP est) ----(BP exp) ----(MP exp) PC(F)CF -121.8PredN
PCC(F)F366098.0326C2H5F2P(2,2-difluoroethyl)phosphaneN105PCC(F)FInChI=1S/C2H5F2P/c3-2(4)1-5/h2H,1,5H2InChIKey=FCCXXXUMHNFXQX-UHFFFAOYSA-N23.0Ex 22.96(BP est) -121.78(MP est) ----(BP exp) ----(MP exp) PCC(F)F -121.8PredN
CPC(F)F366198.0326C2H5F2P(difluoromethyl)(methyl)phosphaneN105CPC(F)FInChI=1S/C2H5F2P/c1-5-2(3)4/h2,5H,1H3InChIKey=NASQVKWFTFIBKH-UHFFFAOYSA-N-0.4Ex -0.38(BP est) -136.78(MP est) ----(BP exp) ----(MP exp) CPC(F)F -136.8PredN
FCPCF366298.0326C2H5F2Pbis(fluoromethyl)phosphaneN105FCPCFInChI=1S/C2H5F2P/c3-1-5-2-4/h5H,1-2H2InChIKey=KQNNRQHCIBNRDB-UHFFFAOYSA-N16.1Ex 16.06(BP est) -124.48(MP est) ----(BP exp) ----(MP exp) FCPCF -124.5PredN
O=P(C#C)C#C366498.0408C4H3OPdiethynylphosphine oxideN96O=P(C#C)C#CInChI=1S/C4H3OP/c1-3-6(5)4-2/h1-2,6HInChIKey=SGLRELITEHLKPB-UHFFFAOYSA-N145.6Ex 145.57(BP est) -11.52(MP est) ----(BP exp) ----(MP exp) O=P(C#C)C#C -11.5PredN
OCOC(F)(F)366598.0488C2H4F2O2(difluoromethoxy)methanolN106OCOC(F)(F)InChI=1S/C2H4F2O2/c3-2(4)6-1-5/h2,5H,1H2InChIKey=IWNIEKVEBONAPL-UHFFFAOYSA-N80.9Ex 80.91(BP est) -79.02(MP est) ----(BP exp) ----(MP exp) OCOC(F)(F) -79PredN
OCC(O)(F)(F)366698.0488C2H4F2O21,1-difluoroethane-1,2-diolN106OCC(O)(F)(F)InChI=1S/C2H4F2O2/c3-2(4,6)1-5/h5-6H,1H2InChIKey=WMNJYQIEUSNQSF-UHFFFAOYSA-N117.5Ex 117.45(BP est) -40.35(MP est) ----(BP exp) ----(MP exp) OCC(O)(F)(F) -40.4PredN
OC(F)C(O)(F)366898.0488C2H4F2O21,2-difluoroethane-1,2-diolN106OC(F)C(O)(F)InChI=1S/C2H4F2O2/c3-1(5)2(4)6/h1-2,5-6HInChIKey=YCAQPYOVLSLQDD-UHFFFAOYSA-N116.0Ex 115.98(BP est) -56.99(MP est) ----(BP exp) ----(MP exp) OC(F)C(O)(F) -57PredN
FC(O)(OC)F366998.0488C2H4F2O2difluoro(methoxy)methanolN106FC(O)(OC)FInChI=1S/C2H4F2O2/c1-6-2(3,4)5/h5H,1H3InChIKey=RJSCBLZCDLLCSL-UHFFFAOYSA-N50.9Ex 50.93(BP est) -79.07(MP est) ----(BP exp) ----(MP exp) FC(O)(OC)F -79.1PredN
OC(F)OC(F)367098.0488C2H4F2O2fluoro(fluoromethoxy)methanolN106OC(F)OC(F)InChI=1S/C2H4F2O2/c3-1-6-2(4)5/h2,5H,1H2InChIKey=OTIWLOWYAGFDHV-UHFFFAOYSA-N72.9Ex 72.87(BP est) -81.37(MP est) ----(BP exp) ----(MP exp) OC(F)OC(F) -81.4PredN
C(CC(F)(F)F)367298.0682C3H5F31,1,1-trifluoropropaneN116C(CC(F)(F)F)InChI=1S/C3H5F3/c1-2-3(4,5)6/h2H2,1H3InChIKey=KDWQLICBSFIDRM-UHFFFAOYSA-N-12.5Ex -27.59(BP est) -137.59(MP est) ----(BP exp) ----(MP exp) C(CC(F)(F)F) -137.6PredN
C(C(F)C(F)F)367398.0682C3H5F31,1,2-trifluoropropaneN116C(C(F)C(F)F)InChI=1S/C3H5F3/c1-2(4)3(5)6/h2-3H,1H3InChIKey=HHRQYHKSSIGXJV-UHFFFAOYSA-N-8.2Ex -33.47(BP est) -155.51(MP est) ----(BP exp) ----(MP exp) C(C(F)C(F)F) -155.5PredN
C(F)(CC(F)F)367498.0682C3H5F31,1,3-trifluoropropaneN116C(F)(CC(F)F)InChI=1S/C3H5F3/c4-2-1-3(5)6/h3H,1-2H2InChIKey=GQSMEOJGQJMOHA-UHFFFAOYSA-N18.6Ex -16.39(BP est) -143.03(MP est) ----(BP exp) ----(MP exp) C(F)(CC(F)F) -143PredN
C(C(F)(F)CF)367598.0682C3H5F31,2,2-trifluoropropaneN116C(C(F)(F)CF)InChI=1S/C3H5F3/c1-3(5,6)2-4/h2H2,1H3InChIKey=DONSGGANNRCHDL-UHFFFAOYSA-N-10.5Ex -27.59(BP est) -137.59(MP est) ----(BP exp) ----(MP exp) C(C(F)(F)CF) -137.6PredN
C(F)(C(F)CF)367698.0682C3H5F31,2,3-trifluoropropaneN116C(F)(C(F)CF)InChI=1S/C3H5F3/c4-1-3(6)2-5/h3H,1-2H2InChIKey=CAAVRWGWEIQJEH-UHFFFAOYSA-N31.4Ex -16.39(BP est) -143.03(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)CF) -143PredN
O=S(O)(O)=O367798.072H2O4Ssulfuric acidN75O=S(O)(O)=OInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-N289.7Ex 623.89(BP est) 270.47(MP est) 290.00(BP exp) 10.31(MP exp) O=S(O)(O)=O 10.3ExptY(Irwin et al. 2012)
C#CCP1CC1367898.0848C5H7P1-(prop-2-yn-1-yl)phosphiraneN136C#CCP1CC1InChI=1S/C5H7P/c1-2-3-6-4-5-6/h1H,3-5H2InChIKey=HRUGPSUKHBGUHV-UHFFFAOYSA-N106.5Ex 106.54(BP est) -46.10(MP est) ----(BP exp) ----(MP exp) C#CCP1CC1 -46.1PredN
C#CP1CCC1367998.0848C5H7P1-ethynylphosphetaneN136C#CP1CCC1InChI=1S/C5H7P/c1-2-6-4-3-5-6/h1H,3-5H2InChIKey=LIXPLPYWGAOYFM-UHFFFAOYSA-N108.7Ex 108.72(BP est) -47.23(MP est) ----(BP exp) ----(MP exp) C#CP1CCC1 -47.2PredN
CP1C=CC=C1368098.0848C5H7P1-methyl-1H-phospholeN136CP1C=CC=C1InChI=1S/C5H7P/c1-6-4-2-3-5-6/h2-5H,1H3InChIKey=KUCAPSLVHGFOHX-UHFFFAOYSA-N108.8Ex 108.79(BP est) -71.69(MP est) ----(BP exp) ----(MP exp) CP1C=CC=C1 -71.7PredN
C=CP1C=CC1368198.0848C5H7P1-vinyl-1,2-dihydrophospheteN136C=CP1C=CC1InChI=1S/C5H7P/c1-2-6-4-3-5-6/h2-4H,1,5H2InChIKey=WRRGMVRDYYKLKU-UHFFFAOYSA-N101.7Ex 101.70(BP est) -73.26(MP est) ----(BP exp) ----(MP exp) C=CP1C=CC1 -73.3PredN
C#CPCC=C368298.0848C5H7Pallyl(ethynyl)phosphaneN136C#CPCC=CInChI=1S/C5H7P/c1-3-5-6-4-2/h2-3,6H,1,5H2InChIKey=SBQDUIPCHZKNHQ-UHFFFAOYSA-N95.0Ex 94.95(BP est) -62.53(MP est) ----(BP exp) ----(MP exp) C#CPCC=C -62.5PredN
PC=1C\C=C/C=1368398.0848C5H7Pcyclopenta-1,3-dien-1-ylphosphaneN136PC=1C\C=C/C=1InChI=1S/C5H7P/c6-5-3-1-2-4-5/h1-3H,4,6H2InChIKey=DFNAVVPSBALZPD-UHFFFAOYSA-N126.1Ex 126.10(BP est) -62.89(MP est) ----(BP exp) ----(MP exp) PC=1C\C=C/C=1 -62.9PredN
CP(C=C)C#C368498.0848C5H7Pethynyl(methyl)(vinyl)phosphaneN136CP(C=C)C#CInChI=1S/C5H7P/c1-4-6(3)5-2/h1,5H,2H2,3H3InChIKey=GXKYZIPQBDYCDR-UHFFFAOYSA-N95.9Ex 95.92(BP est) -62.93(MP est) ----(BP exp) ----(MP exp) CP(C=C)C#C -62.9PredN
C=CC(P)C#C368598.0848C5H7Ppent-1-en-4-yn-3-ylphosphaneN136C=CC(P)C#CInChI=1S/C5H7P/c1-3-5(6)4-2/h1,4-5H,2,6H2InChIKey=WWILWRISIZHDQI-UHFFFAOYSA-N101.1Ex 101.13(BP est) -60.04(MP est) ----(BP exp) ----(MP exp) C=CC(P)C#C -60PredN
C=CPCC#C368698.0848C5H7Pprop-2-yn-1-yl(vinyl)phosphaneN136C=CPCC#CInChI=1S/C5H7P/c1-3-5-6-4-2/h1,4,6H,2,5H2InChIKey=JTQRGCFWAOKZPE-UHFFFAOYSA-N95.0Ex 94.95(BP est) -62.53(MP est) ----(BP exp) ----(MP exp) C=CPCC#C -62.5PredN
CSC(F)(F)368798.1108C2H4F2S(difluoromethyl)(methyl)sulfaneN95CSC(F)(F)InChI=1S/C2H4F2S/c1-5-2(3)4/h2H,1H3InChIKey=CHCAIAFJPJRJSN-UHFFFAOYSA-N31.8Ex 31.82(BP est) -117.68(MP est) ----(BP exp) ----(MP exp) CSC(F)(F) -117.7PredN
SC(F)(F)(C)368898.1108C2H4F2S1,1-difluoroethane-1-thiolN95SC(F)(F)(C)InChI=1S/C2H4F2S/c1-2(3,4)5/h5H,1H3InChIKey=JTIOQPPRRWXUHG-UHFFFAOYSA-N37.2Ex 37.19(BP est) -106.37(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(C) -106.4PredN
SC(F)(CF)368998.1108C2H4F2S1,2-difluoroethane-1-thiolN95SC(F)(CF)InChI=1S/C2H4F2S/c3-1-2(4)5/h2,5H,1H2InChIKey=GIESGYZEMFEGNE-UHFFFAOYSA-N47.5Ex 47.54(BP est) -112.06(MP est) ----(BP exp) ----(MP exp) SC(F)(CF) -112.1PredN
SC(C(F)F)369098.1108C2H4F2S2,2-difluoroethane-1-thiolN95SC(C(F)F)InChI=1S/C2H4F2S/c3-2(4)1-5/h2,5H,1H2InChIKey=IPTRDMXWNOXEOK-UHFFFAOYSA-N47.5Ex 47.54(BP est) -112.06(MP est) ----(BP exp) ----(MP exp) SC(C(F)F) -112.1PredN
C(F)SC(F)369198.1108C2H4F2Sbis(fluoromethyl)sulfaneN95C(F)SC(F)InChI=1S/C2H4F2S/c3-1-5-2-4/h1-2H2InChIKey=DACYNZFMBAEWBP-UHFFFAOYSA-N47.6Ex 47.62(BP est) -105.57(MP est) ----(BP exp) ----(MP exp) C(F)SC(F) -105.6PredN
S=C/1/N=C\C=N\1369398.123C3H2N2S2H-imidazole-2-thioneN86S=C/1/N=C\C=N\1InChI=1S/C3H2N2S/c6-3-4-1-2-5-3/h1-2HInChIKey=NBGMRMDAEWWFIR-UHFFFAOYSA-N234.1Ex 234.10(BP est) 46.15(MP est) ----(BP exp) ----(MP exp) S=C/1/N=C\C=N\1 46.2PredN
N#CCN=C=S369498.123C3H2N2S2-isothiocyanatoacetonitrileN86N#CCN=C=SInChI=1S/C3H2N2S/c4-1-2-5-3-6/h2H2InChIKey=CURSWNTWYCSWIL-UHFFFAOYSA-N201.4Ex 201.42(BP est) 7.22(MP est) ----(BP exp) ----(MP exp) N#CCN=C=S 7.2PredN
N#CCSC#N369598.123C3H2N2S2-thiocyanatoacetonitrileN86N#CCSC#NInChI=1S/C3H2N2S/c4-1-2-6-3-5/h2H2InChIKey=IAJVOVQNNYSZID-UHFFFAOYSA-N241.3Ex 241.25(BP est) 21.00(MP est) ----(BP exp) ----(MP exp) N#CCSC#N 21PredN
F[Si](C)(O)F369698.1238CH4F2OSidifluoro(methyl)silanolN95F[Si](C)(O)FInChI=1S/CH4F2OSi/c1-5(2,3)4/h4H,1H3InChIKey=VRIGCROYSYIOFN-UHFFFAOYSA-N62.8Ex 62.78(BP est) -89.64(MP est) ----(BP exp) ----(MP exp) F[Si](C)(O)F -89.6PredN
OSSO369798.134H2O2S2disulfane-1,2-diolN64OSSOInChI=1S/H2O2S2/c1-3-4-2/h1-2HInChIKey=JARODAOQOSWMRF-UHFFFAOYSA-N201.1Ex 608.20(BP est) 254.58(MP est) ----(BP exp) ----(MP exp) OSSO 254.6PredY(Sucaet et al. 2012)
C1C2(CC=C2)S1369898.163C5H6S1-thiaspiro[2.3]hex-4-eneN126C1C2(CC=C2)S1InChI=1S/C5H6S/c1-2-5(3-1)4-6-5/h1-2H,3-4H2InChIKey=MCBDUQXMRXKJJV-UHFFFAOYSA-N119.7Ex 119.66(BP est) -14.31(MP est) ----(BP exp) ----(MP exp) C1C2(CC=C2)S1 -14.3PredN
C#CCC1CS1369998.163C5H6S2-(prop-2-yn-1-yl)thiiraneN126C#CCC1CS1InChI=1S/C5H6S/c1-2-3-5-4-6-5/h1,5H,3-4H2InChIKey=WMYYJDNQFHNRGE-UHFFFAOYSA-N126.3Ex 126.31(BP est) -12.30(MP est) ----(BP exp) ----(MP exp) C#CCC1CS1 -12.3PredN
C=CCC1=CS1370098.163C5H6S2-allylthiireneN126C=CCC1=CS1InChI=1S/C5H6S/c1-2-3-5-4-6-5/h2,4H,1,3H2InChIKey=KZNLQNUMHWFGSG-UHFFFAOYSA-N124.2Ex 124.23(BP est) -28.51(MP est) ----(BP exp) ----(MP exp) C=CCC1=CS1 -28.5PredN
CC1(C#C)CS1370198.163C5H6S2-ethynyl-2-methylthiiraneN126CC1(C#C)CS1InChI=1S/C5H6S/c1-3-5(2)4-6-5/h1H,4H2,2H3InChIKey=OQJHMESDZZZMTR-UHFFFAOYSA-N114.0Ex 114.04(BP est) -3.93(MP est) ----(BP exp) ----(MP exp) CC1(C#C)CS1 -3.9PredN
CC1C(C#C)S1370298.163C5H6S2-ethynyl-3-methylthiiraneN126CC1C(C#C)S1InChI=1S/C5H6S/c1-3-5-4(2)6-5/h1,4-5H,2H3InChIKey=NLAOIQYZUNXYBU-UHFFFAOYSA-N119.6Ex 119.61(BP est) -16.38(MP est) ----(BP exp) ----(MP exp) CC1C(C#C)S1 -16.4PredN
C#CC1SCC1370398.163C5H6S2-ethynylthietaneN126C#CC1SCC1InChI=1S/C5H6S/c1-2-5-3-4-6-5/h1,5H,3-4H2InChIKey=MACAZEICUNTEMX-UHFFFAOYSA-N128.4Ex 128.42(BP est) -13.44(MP est) ----(BP exp) ----(MP exp) C#CC1SCC1 -13.4PredN
C1C=CC=CS1370498.163C5H6S2H-thiopyranN126C1C=CC=CS1InChI=1S/C5H6S/c1-2-4-6-5-3-1/h1-4H,5H2InChIKey=QMDFJHAAWUGVKQ-UHFFFAOYSA-N137.2Ex 137.18(BP est) -35.01(MP est) ----(BP exp) ----(MP exp) C1C=CC=CS1 -35PredN
CC(S1)=C1C=C370598.163C5H6S2-methyl-3-vinylthiireneN126CC(S1)=C1C=CInChI=1S/C5H6S/c1-3-5-4(2)6-5/h3H,1H2,2H3InChIKey=LPYZROLMCPCDOA-UHFFFAOYSA-N122.2Ex 122.24(BP est) -22.83(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1C=C -22.8PredN
CC1=CC=CS1370698.163C5H6S2-methylthiopheneN126CC1=CC=CS1InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3InChIKey=XQQBUAPQHNYYRS-UHFFFAOYSA-N112.6Ex 136.96(BP est) -27.05(MP est) 112.60(BP exp) -63.40(MP exp) CC1=CC=CS1 -63.4ExptY(The Good Scents Company , Gu et al. 2013, de Lacy Costello et al. 2014)
C#CC1CSC1370798.163C5H6S3-ethynylthietaneN126C#CC1CSC1InChI=1S/C5H6S/c1-2-5-3-6-4-5/h1,5H,3-4H2InChIKey=PZRVOZAGBBSDEL-UHFFFAOYSA-N128.4Ex 128.42(BP est) -13.44(MP est) ----(BP exp) ----(MP exp) C#CC1CSC1 -13.4PredN
CC1=CSC=C1370898.163C5H6S3-methylthiopheneN126CC1=CSC=C1InChI=1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3InChIKey=QENGPZGAWFQWCZ-UHFFFAOYSA-N115.3Ex 136.96(BP est) -27.05(MP est) 115.50(BP exp) -69.00(MP exp) CC1=CSC=C1 -69ExptY(The Good Scents Company , Garner et al. 2007, de Lacy Costello et al. 2014)
S\1\C=C/C/C=C/1370998.163C5H6S4H-thiopyranN126S\1\C=C/C/C=C/1InChI=1S/C5H6S/c1-2-4-6-5-3-1/h2-5H,1H2InChIKey=STBGWNRZMPCVTG-UHFFFAOYSA-N137.2Ex 137.18(BP est) -35.01(MP est) ----(BP exp) ----(MP exp) S\1\C=C/C/C=C/1 -35PredN
C1(S2)=C2CCC1371098.163C5H6S6-thiabicyclo[3.1.0]hex-1(5)-eneN126C1(S2)=C2CCC1InChI=1S/C5H6S/c1-2-4-5(3-1)6-4/h1-3H2InChIKey=QSJWDPGVFGGDPT-UHFFFAOYSA-N134.5Ex 134.50(BP est) -7.28(MP est) ----(BP exp) ----(MP exp) C1(S2)=C2CCC1 -7.3PredN
C1(CC=C2)C2S1371198.163C5H6S6-thiabicyclo[3.1.0]hex-2-eneN126C1(CC=C2)C2S1InChI=1S/C5H6S/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2InChIKey=CYHGPWSCXACRLH-UHFFFAOYSA-N125.2Ex 125.17(BP est) -26.77(MP est) ----(BP exp) ----(MP exp) C1(CC=C2)C2S1 -26.8PredN
CSC=CC#C371298.163C5H6Sbut-1-en-3-yn-1-yl(methyl)sulfaneN126CSC=CC#CInChI=1S/C5H6S/c1-3-4-5-6-2/h1,4-5H,2H3InChIKey=NKMNGGDPEPZMPK-UHFFFAOYSA-N132.0Ex 131.97(BP est) -43.68(MP est) ----(BP exp) ----(MP exp) CSC=CC#C -43.7PredN
CSC(C#C)=C371398.163C5H6Sbut-1-en-3-yn-2-yl(methyl)sulfaneN126CSC(C#C)=CInChI=1S/C5H6S/c1-4-5(2)6-3/h1H,2H2,3H3InChIKey=ZHLLJDXENABJHP-UHFFFAOYSA-N116.8Ex 116.83(BP est) -53.42(MP est) ----(BP exp) ----(MP exp) CSC(C#C)=C -53.4PredN
C(#CSC)C=C371498.163C5H6Sbut-3-en-1-yn-1-yl(methyl)sulfaneN126C(#CSC)C=CInChI=1S/C5H6S/c1-3-4-5-6-2/h3H,1H2,2H3InChIKey=HIWIEVWZTYIZRX-UHFFFAOYSA-N131.8Ex 131.75(BP est) -12.52(MP est) ----(BP exp) ----(MP exp) C(#CSC)C=C -12.5PredN
SC(C=C1)(C=C1)371598.163C5H6Scyclopenta-2,4-diene-1-thiolN126SC(C=C1)(C=C1)InChI=1S/C5H6S/c6-5-3-1-2-4-5/h1-6HInChIKey=GVZTVOJLOGFKHQ-UHFFFAOYSA-N144.5Ex 144.52(BP est) -53.72(MP est) ----(BP exp) ----(MP exp) SC(C=C1)(C=C1) -53.7PredN
SC(C#C)C=C371698.163C5H6Spent-1-en-4-yne-3-thiolN126SC(C#C)C=CInChI=1S/C5H6S/c1-3-5(6)4-2/h1,4-6H,2H2InChIKey=LFVMAQZIPLOWDE-UHFFFAOYSA-N123.1Ex 123.11(BP est) -51.08(MP est) ----(BP exp) ----(MP exp) SC(C#C)C=C -51.1PredN
C(#CSC=C)C371798.163C5H6Sprop-1-yn-1-yl(vinyl)sulfaneN126C(#CSC=C)CInChI=1S/C5H6S/c1-3-5-6-4-2/h4H,2H2,1H3InChIKey=PBOJSGFMKSBQQH-UHFFFAOYSA-N131.8Ex 131.75(BP est) -12.52(MP est) ----(BP exp) ----(MP exp) C(#CSC=C)C -12.5PredN
C#CCSC=C371898.163C5H6Sprop-2-yn-1-yl(vinyl)sulfaneN126C#CCSC=CInChI=1S/C5H6S/c1-3-5-6-4-2/h1,4H,2,5H2InChIKey=YOACACOJRXCFCK-UHFFFAOYSA-N123.2Ex 123.18(BP est) -44.59(MP est) ----(BP exp) ----(MP exp) C#CCSC=C -44.6PredN
C#C[Si]1(O)CC1371998.176C4H6OSi1-ethynylsiliran-1-olN126C#C[Si]1(O)CC1InChI=1S/C4H6OSi/c1-2-6(5)3-4-6/h1,5H,3-4H2InChIKey=YLPLMQASXPEOLK-UHFFFAOYSA-N133.5Ex 133.52(BP est) 24.16(MP est) ----(BP exp) ----(MP exp) C#C[Si]1(O)CC1 24.2PredN
C[Si]1(CC=C1)C372098.22C5H10Si1,1-dimethyl-1,2-dihydrosileteN166C[Si]1(CC=C1)CInChI=1S/C5H10Si/c1-6(2)4-3-5-6/h3-4H,5H2,1-2H3InChIKey=IDNDQZDRGMMBQC-UHFFFAOYSA-N45.6Ex 45.62(BP est) -51.14(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC=C1)C -51.1PredN
C[Si]1(C=C)CC1372198.22C5H10Si1-methyl-1-vinylsiliraneN166C[Si]1(C=C)CC1InChI=1S/C5H10Si/c1-3-6(2)4-5-6/h3H,1,4-5H2,2H3InChIKey=MUQQKLYQCATOLB-UHFFFAOYSA-N37.8Ex 37.84(BP est) -52.91(MP est) ----(BP exp) ----(MP exp) C[Si]1(C=C)CC1 -52.9PredN
[Si]12(CCC2)CC1372298.22C5H10Si3-silaspiro[2.3]hexaneN166[Si]12(CCC2)CC1InChI=1S/C5H10Si/c1-2-6(3-1)4-5-6/h1-5H2InChIKey=GOHRGVKYXWAWMV-UHFFFAOYSA-N51.8Ex 51.75(BP est) -36.88(MP est) ----(BP exp) ----(MP exp) [Si]12(CCC2)CC1 -36.9PredN
C[Si](C)(C#C)C372398.22C5H10SiethynyltrimethylsilaneN166C[Si](C)(C#C)CInChI=1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3InChIKey=CWMFRHBXRUITQE-UHFFFAOYSA-N52.5Ex 54.48(BP est) -77.03(MP est) ----(BP exp) ----(MP exp) C[Si](C)(C#C)C -77PredN
C(F)=C(Cl)(F)372698.4768C2HClF21-chloro-1,2-difluoroetheneN65C(F)=C(Cl)(F)InChI=1S/C2HClF2/c3-2(5)1-4/h1HInChIKey=CJENPNUXCMYXPT-UHFFFAOYSA-N-15.0Ex 12.30(BP est) -127.64(MP est) ----(BP exp) ----(MP exp) C(F)=C(Cl)(F) -127.6PredN
C(Cl)=C(F)(F)372798.4768C2HClF22-chloro-1,1-difluoroetheneN65C(Cl)=C(F)(F)InChI=1S/C2HClF2/c3-1-2(4)5/h1HInChIKey=HTHNTJCVPNKCPZ-UHFFFAOYSA-N-18.8Ex 12.30(BP est) -127.64(MP est) -18.50(BP exp) -138.50(MP exp) C(Cl)=C(F)(F) -138.5ExptN
OC(Cl)(F)(C)372898.5014C2H4ClFO1-chloro-1-fluoroethan-1-olN95OC(Cl)(F)(C)InChI=1S/C2H4ClFO/c1-2(3,4)5/h5H,1H3InChIKey=XXJAXZDCTQQJHY-UHFFFAOYSA-N62.5Ex 62.49(BP est) -72.14(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(C) -72.1PredN
OC(Cl)(CF)372998.5014C2H4ClFO1-chloro-2-fluoroethan-1-olN95OC(Cl)(CF)InChI=1S/C2H4ClFO/c3-2(5)1-4/h2,5H,1H2InChIKey=WERQLXPXJVIDLF-UHFFFAOYSA-N97.3Ex 97.34(BP est) -70.68(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CF) -70.7PredN
OC(F)(CCl)373098.5014C2H4ClFO2-chloro-1-fluoroethan-1-olN95OC(F)(CCl)InChI=1S/C2H4ClFO/c3-1-2(4)5/h2,5H,1H2InChIKey=QMACSORLXDJPSP-UHFFFAOYSA-N110.4Ex 110.38(BP est) -66.87(MP est) ----(BP exp) ----(MP exp) OC(F)(CCl) -66.9PredN
OC(C(Cl)F)373198.5014C2H4ClFO2-chloro-2-fluoroethan-1-olN95OC(C(Cl)F)InChI=1S/C2H4ClFO/c3-2(4)1-5/h2,5H,1H2InChIKey=LRACLFFCXOEWLG-UHFFFAOYSA-N105.1Ex 105.10(BP est) -68.41(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)F) -68.4PredN
C(Cl)OC(F)373298.5014C2H4ClFOchloro(fluoromethoxy)methaneN95C(Cl)OC(F)InChI=1S/C2H4ClFO/c3-1-5-2-4/h1-2H2InChIKey=YXQYKFLVBLYBEW-UHFFFAOYSA-N66.9Ex 66.88(BP est) -91.37(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(F) -91.4PredN
COC(Cl)(F)373398.5014C2H4ClFOchlorofluoro(methoxy)methaneN95COC(Cl)(F)InChI=1S/C2H4ClFO/c1-5-2(3)4/h2H,1H3InChIKey=OJHXJTGFPQFKOC-UHFFFAOYSA-N37.3Ex 37.29(BP est) -107.50(MP est) ----(BP exp) ----(MP exp) COC(Cl)(F) -107.5PredN
NNC(Cl)(F)373498.5054CH4ClFN2(chlorofluoromethyl)hydrazineN95NNC(Cl)(F)InChI=1S/CH4ClFN2/c2-1(3)5-4/h1,5H,4H2InChIKey=LDAVCBCWXPRDNA-UHFFFAOYSA-N99.7Ex 99.74(BP est) -38.06(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(F) -38.1PredN
ClC#CC1=CC1373598.529C5H3Cl1-(chloroethynyl)cycloprop-1-eneN96ClC#CC1=CC1InChI=1S/C5H3Cl/c6-4-3-5-1-2-5/h1H,2H2InChIKey=FGYBBWYMZGSOTB-UHFFFAOYSA-N113.5Ex 113.54(BP est) -1.47(MP est) ----(BP exp) ----(MP exp) ClC#CC1=CC1 -1.5PredN
ClC(C1)=C1C#C373698.529C5H3Cl1-chloro-2-ethynylcycloprop-1-eneN96ClC(C1)=C1C#CInChI=1S/C5H3Cl/c1-2-4-3-5(4)6/h1H,3H2InChIKey=RUSFYMPKZNXKDU-UHFFFAOYSA-N102.7Ex 102.65(BP est) -27.95(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1C#C -28PredN
ClC1=CC1C#C373798.529C5H3Cl1-chloro-3-ethynylcycloprop-1-eneN96ClC1=CC1C#CInChI=1S/C5H3Cl/c1-2-4-3-5(4)6/h1,3-4HInChIKey=WFUZIZNIUPASMV-UHFFFAOYSA-N97.8Ex 97.75(BP est) -37.76(MP est) ----(BP exp) ----(MP exp) ClC1=CC1C#C -37.8PredN
CC#CC#CCl373898.529C5H3Cl1-chloropenta-1,3-diyneN96CC#CC#CClInChI=1S/C5H3Cl/c1-2-3-4-5-6/h1H3InChIKey=MDKVPPBXJXLPBO-UHFFFAOYSA-N118.7Ex 118.66(BP est) -4.51(MP est) ----(BP exp) ----(MP exp) CC#CC#CCl -4.5PredN
C#CCC#CCl373998.529C5H3Cl1-chloropenta-1,4-diyneN96C#CCC#CClInChI=1S/C5H3Cl/c1-2-3-4-5-6/h1H,3H2InChIKey=IISZJQFFRIQFBH-UHFFFAOYSA-N109.9Ex 109.90(BP est) 3.22(MP est) ----(BP exp) ----(MP exp) C#CCC#CCl 3.2PredN
ClC#CC1C=C1374098.529C5H3Cl3-(chloroethynyl)cycloprop-1-eneN96ClC#CC1C=C1InChI=1S/C5H3Cl/c6-4-3-5-1-2-5/h1-2,5HInChIKey=YWTOWNRFDPUAHX-UHFFFAOYSA-N108.7Ex 108.73(BP est) -11.25(MP est) ----(BP exp) ----(MP exp) ClC#CC1C=C1 -11.3PredN
C#CC1=CC1Cl374198.529C5H3Cl3-chloro-1-ethynylcycloprop-1-eneN96C#CC1=CC1ClInChI=1S/C5H3Cl/c1-2-4-3-5(4)6/h1,3,5HInChIKey=AYQKFIMXPOUNCH-UHFFFAOYSA-N112.8Ex 112.83(BP est) -33.36(MP est) ----(BP exp) ----(MP exp) C#CC1=CC1Cl -33.4PredN
ClC1(C#C)C=C1374298.529C5H3Cl3-chloro-3-ethynylcycloprop-1-eneN96ClC1(C#C)C=C1InChI=1S/C5H3Cl/c1-2-5(6)3-4-5/h1,3-4HInChIKey=ZVKOSYLHELOLQQ-UHFFFAOYSA-N89.2Ex 89.18(BP est) -34.57(MP est) ----(BP exp) ----(MP exp) ClC1(C#C)C=C1 -34.6PredN
ClC(C#C)C#C374398.529C5H3Cl3-chloropenta-1,4-diyneN96ClC(C#C)C#CInChI=1S/C5H3Cl/c1-3-5(6)4-2/h1-2,5HInChIKey=WSYPOZJDYQMFLY-UHFFFAOYSA-N101.7Ex 101.73(BP est) -36.23(MP est) ----(BP exp) ----(MP exp) ClC(C#C)C#C -36.2PredN
ClCC#CC#C374498.529C5H3Cl5-chloropenta-1,3-diyneN96ClCC#CC#CInChI=1S/C5H3Cl/c1-2-3-4-5-6/h1H,5H2InChIKey=YCCVAPBOICXIRH-UHFFFAOYSA-N137.2Ex 137.15(BP est) 11.18(MP est) ----(BP exp) ----(MP exp) ClCC#CC#C 11.2PredN
CC(Cl)Cl374598.954C2H4Cl21,1-dichloroethaneN84CC(Cl)ClInChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3InChIKey=SCYULBFZEHDVBN-UHFFFAOYSA-N57.2Ex 63.01(BP est) -96.44(MP est) 57.40(BP exp) -96.90(MP exp) CC(Cl)Cl -96.9ExptN
ClCCCl374698.954C2H4Cl21,2-dichloroethaneN84ClCCClInChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2InChIKey=WSLDOOZREJYCGB-UHFFFAOYSA-N83.3Ex 104.72(BP est) -76.77(MP est) 83.50(BP exp) -35.50(MP exp) ClCCCl -35.5ExptY(Ballschmiter 2003)
CNC(F)(F)(F)374799.0562C2H4F3N1,1,1-trifluoro-N-methylmethanamineN106CNC(F)(F)(F)InChI=1S/C2H4F3N/c1-6-2(3,4)5/h6H,1H3InChIKey=GBXVJYYOXPYJGH-UHFFFAOYSA-N-3.2Ex -3.21(BP est) -109.77(MP est) ----(BP exp) ----(MP exp) CNC(F)(F)(F) -109.8PredN
NC(F)(F)(CF)374899.0562C2H4F3N1,1,2-trifluoroethan-1-amineN106NC(F)(F)(CF)InChI=1S/C2H4F3N/c3-1-2(4,5)6/h1,6H2InChIKey=HNCBFSRVQRTBRJ-UHFFFAOYSA-N18.1Ex 18.12(BP est) -88.25(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(CF) -88.3PredN
C(F)NC(F)(F)374999.0562C2H4F3N1,1-difluoro-N-(fluoromethyl)methanamineN106C(F)NC(F)(F)InChI=1S/C2H4F3N/c3-1-6-2(4)5/h2,6H,1H2InChIKey=LYVJWFFUNJAJSL-UHFFFAOYSA-N7.7Ex 7.67(BP est) -115.31(MP est) ----(BP exp) ----(MP exp) C(F)NC(F)(F) -115.3PredN
NC(F)(C(F)F)375099.0562C2H4F3N1,2,2-trifluoroethan-1-amineN106NC(F)(C(F)F)InChI=1S/C2H4F3N/c3-1(4)2(5)6/h1-2H,6H2InChIKey=NOUBDJRNAIFHNQ-UHFFFAOYSA-N12.5Ex 12.54(BP est) -106.08(MP est) ----(BP exp) ----(MP exp) NC(F)(C(F)F) -106.1PredN
NC(C(F)(F)F)375199.0562C2H4F3N2,2,2-trifluoroethan-1-amineN106NC(C(F)(F)F)InChI=1S/C2H4F3N/c3-2(4,5)1-6/h1,6H2InChIKey=KIPSRYDSZQRPEA-UHFFFAOYSA-N37.3Ex 18.12(BP est) -88.25(MP est) 37.50(BP exp) ----(MP exp) NC(C(F)(F)F) -88.3PredN
S=C/1/N=C\N=N\1375299.111C2HN3S3H-1,2,4-triazole-3-thioneN76S=C/1/N=C\N=N\1InChI=1S/C2HN3S/c6-2-3-1-4-5-2/h1HInChIKey=PYRFHJUXDGQZPM-UHFFFAOYSA-N245.6Ex 245.63(BP est) 60.49(MP est) ----(BP exp) ----(MP exp) S=C/1/N=C\N=N\1 60.5PredN
S=C\1\C=N/N=N/1375399.111C2HN3S4H-1,2,3-triazole-4-thioneN76S=C\1\C=N/N=N/1InChI=1S/C2HN3S/c6-2-1-3-5-4-2/h1HInChIKey=QPDUQKTYZRXRBC-UHFFFAOYSA-N245.6Ex 245.63(BP est) 60.49(MP est) ----(BP exp) ----(MP exp) S=C\1\C=N/N=N/1 60.5PredN
N#CCC1CS1375499.151C4H5NS2-(thiiran-2-yl)acetonitrileN116N#CCC1CS1InChI=1S/C4H5NS/c5-2-1-4-3-6-4/h4H,1,3H2InChIKey=BKIZJNMVTRYGSW-UHFFFAOYSA-N184.4Ex 184.37(BP est) 8.02(MP est) ----(BP exp) ----(MP exp) N#CCC1CS1 8PredY(DNP 2017)
CC1=NC=CS1375599.151C4H5NS2-methylthiazoleN116CC1=NC=CS1InChI=1S/C4H5NS/c1-4-5-2-3-6-4/h2-3H,1H3InChIKey=VZWOXDYRBDIHMA-UHFFFAOYSA-N128.8Ex 147.45(BP est) 6.14(MP est) 128.50(BP exp) ----(MP exp) CC1=NC=CS1 6.1PredY(de Lacy Costello et al. 2014)
C=CCN=C=S375699.151C4H5NS3-isothiocyanatoprop-1-eneN116C=CCN=C=SInChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2InChIKey=ZOJBYZNEUISWFT-UHFFFAOYSA-N151.5Ex 135.84(BP est) -39.66(MP est) 152.00(BP exp) -80.00(MP exp) C=CCN=C=S -80ExptY(Bailey et al. 1961, Bailey et al. 1961, Irwin et al. 2012)
CC1=NSC=C1375799.151C4H5NS3-methylisothiazoleN116CC1=NSC=C1InChI=1S/C4H5NS/c1-4-2-3-6-5-4/h2-3H,1H3InChIKey=WOTIUKDGJBXFLG-UHFFFAOYSA-N133.0Ex 147.45(BP est) 6.14(MP est) ----(BP exp) ----(MP exp) CC1=NSC=C1 6.1PredY(de Lacy Costello et al. 2014)
C=CCSC#N375899.151C4H5NS3-thiocyanatoprop-1-eneN116C=CCSC#NInChI=1S/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2InChIKey=IFVYHJRLWCUVBB-UHFFFAOYSA-N161.0Ex 181.56(BP est) -24.17(MP est) 161.00(BP exp) ----(MP exp) C=CCSC#N -24.2PredY(Irwin et al. 2012, DNP 2017)
CC1=CSN=C1375999.151C4H5NS4-methylisothiazoleN116CC1=CSN=C1InChI=1S/C4H5NS/c1-4-2-5-6-3-4/h2-3H,1H3InChIKey=YUTQRQJTFPEEPB-UHFFFAOYSA-N147.5Ex 147.45(BP est) 6.14(MP est) ----(BP exp) ----(MP exp) CC1=CSN=C1 6.1PredN
CC1=CSC=N1376099.151C4H5NS4-methylthiazoleN116CC1=CSC=N1InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3InChIKey=QMHIMXFNBOYPND-UHFFFAOYSA-N117.4Ex 147.45(BP est) 6.14(MP est) 133.30(BP exp) ----(MP exp) CC1=CSC=N1 6.1PredY(Swiegers and Pretorius 2005)
CC1=CC=NS1376199.151C4H5NS5-methylisothiazoleN116CC1=CC=NS1InChI=1S/C4H5NS/c1-4-2-3-5-6-4/h2-3H,1H3InChIKey=LBBKWEDRPDGXPM-UHFFFAOYSA-N147.5Ex 147.45(BP est) 6.14(MP est) ----(BP exp) ----(MP exp) CC1=CC=NS1 6.1PredY(de Lacy Costello et al. 2014)
CC1=CN=CS1376299.151C4H5NS5-methylthiazoleN116CC1=CN=CS1InChI=1S/C4H5NS/c1-4-2-5-3-6-4/h2-3H,1H3InChIKey=RLYUNPNLXMSXAX-UHFFFAOYSA-N147.5Ex 147.45(BP est) 6.14(MP est) ----(BP exp) ----(MP exp) CC1=CN=CS1 6.1PredY(The Good Scents Company , Wishart et al. 2013)
S=C=NC1CC1376399.151C4H5NSisothiocyanatocyclopropaneN116S=C=NC1CC1InChI=1S/C4H5NS/c6-3-5-4-1-2-4/h4H,1-2H2InChIKey=JGFBQFKZKSSODQ-UHFFFAOYSA-N141.4Ex 141.36(BP est) -28.20(MP est) ----(BP exp) ----(MP exp) S=C=NC1CC1 -28.2PredY(de Lacy Costello et al. 2014)
N#CC1CSC1376499.151C4H5NSthietane-3-carbonitrileN116N#CC1CSC1InChI=1S/C4H5NS/c5-1-4-2-6-3-4/h4H,2-3H2InChIKey=XRMUCNDIBWGVPF-UHFFFAOYSA-N186.3Ex 186.25(BP est) 6.81(MP est) ----(BP exp) ----(MP exp) N#CC1CSC1 6.8PredN
NC1=CC=CS1376599.151C4H5NSthiophen-2-amineN116NC1=CC=CS1InChI=1S/C4H5NS/c5-4-2-1-3-6-4/h1-3H,5H2InChIKey=GLQWRXYOTXRDNH-UHFFFAOYSA-N194.1Ex 194.05(BP est) 25.61(MP est) ----(BP exp) ----(MP exp) NC1=CC=CS1 25.6PredN
NC1=CSC=C1376699.151C4H5NSthiophen-3-amineN116NC1=CSC=C1InChI=1S/C4H5NS/c5-4-1-2-6-3-4/h1-3H,5H2InChIKey=DKGYESBFCGKOJC-UHFFFAOYSA-N194.1Ex 194.05(BP est) 25.61(MP est) ----(BP exp) ----(MP exp) NC1=CSC=C1 25.6PredN
NOC(F)Cl376799.4894CH3ClFNOO-(chlorofluoromethyl)hydroxylamineN85NOC(F)ClInChI=1S/CH3ClFNO/c2-1(3)5-4/h1H,4H2InChIKey=BMJULQSKAXFUEI-UHFFFAOYSA-N79.5Ex 79.46(BP est) -59.20(MP est) ----(BP exp) ----(MP exp) NOC(F)Cl -59.2PredN
ClC#CC1=CN1376899.517C4H2ClN2-(chloroethynyl)-1H-azirineN86ClC#CC1=CN1InChI=1S/C4H2ClN/c5-2-1-4-3-6-4/h3,6HInChIKey=ZLJGNDYTYGRLBG-UHFFFAOYSA-N150.3Ex 150.28(BP est) 15.11(MP est) ----(BP exp) ----(MP exp) ClC#CC1=CN1 15.1PredN
ClC(N1)=C1C#C376999.517C4H2ClN2-chloro-3-ethynyl-1H-azirineN86ClC(N1)=C1C#CInChI=1S/C4H2ClN/c1-2-3-4(5)6-3/h1,6HInChIKey=QKVRMOTYKKXVHP-UHFFFAOYSA-N140.1Ex 140.06(BP est) 29.85(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1C#C 29.9PredN
NC(Cl)Cl377099.942CH3Cl2NdichloromethanamineN74NC(Cl)ClInChI=1S/CH3Cl2N/c2-1(3)4/h1H,4H2InChIKey=CELBUDBANIEXBV-UHFFFAOYSA-N103.7Ex 103.70(BP est) -48.57(MP est) ----(BP exp) ----(MP exp) NC(Cl)Cl -48.6PredN
C(F)(F)=C(F)(F)3772100.016C2F4perfluoroetheneN66C(F)(F)=C(F)(F)InChI=1S/C2F4/c3-1(4)2(5)6InChIKey=BFKJFAAPBSQJPD-UHFFFAOYSA-N-76.8Ex -31.60(BP est) -161.81(MP est) -75.90(BP exp) -142.50(MP exp) C(F)(F)=C(F)(F) -142.5ExptN
C#CPC#CF3773100.032C4H2FPethynyl(fluoroethynyl)phosphaneN86C#CPC#CFInChI=1S/C4H2FP/c1-2-6-4-3-5/h1,6HInChIKey=JOFPWPCYMXBDGH-UHFFFAOYSA-N92.4Ex 92.44(BP est) -14.67(MP est) ----(BP exp) ----(MP exp) C#CPC#CF -14.7PredN
OC(F)(F)(CF)3774100.04C2H3F3O1,1,2-trifluoroethan-1-olN96OC(F)(F)(CF)InChI=1S/C2H3F3O/c3-1-2(4,5)6/h6H,1H2InChIKey=UWHSOAQTULYJLH-UHFFFAOYSA-N26.2Ex 26.24(BP est) -97.09(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(CF) -97.1PredN
OC(F)(C(F)F)3775100.04C2H3F3O1,2,2-trifluoroethan-1-olN96OC(F)(C(F)F)InChI=1S/C2H3F3O/c3-1(4)2(5)6/h1-2,6HInChIKey=DEUJSGDXBNTQMY-UHFFFAOYSA-N33.2Ex 33.16(BP est) -111.29(MP est) ----(BP exp) ----(MP exp) OC(F)(C(F)F) -111.3PredN
OC(C(F)(F)F)3776100.04C2H3F3O2,2,2-trifluoroethan-1-olN96OC(C(F)(F)F)InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2InChIKey=RHQDFWAXVIIEBN-UHFFFAOYSA-N75.2Ex 47.03(BP est) -91.03(MP est) 74.00(BP exp) -43.50(MP exp) OC(C(F)(F)F) -43.5ExptN
C(F)OC(F)(F)3777100.04C2H3F3Odifluoro(fluoromethoxy)methaneN96C(F)OC(F)(F)InChI=1S/C2H3F3O/c3-1-6-2(4)5/h2H,1H2InChIKey=CHRXLMMVJKAYGJ-UHFFFAOYSA-N-15.3Ex -15.30(BP est) -137.23(MP est) ----(BP exp) ----(MP exp) C(F)OC(F)(F) -137.2PredN
COC(F)(F)(F)3778100.04C2H3F3Otrifluoro(methoxy)methaneN96COC(F)(F)(F)InChI=1S/C2H3F3O/c1-6-2(3,4)5/h1H3InChIKey=JRHMNRMPVRXNOS-UHFFFAOYSA-N-25.0Ex -26.49(BP est) -131.78(MP est) ----(BP exp) ----(MP exp) COC(F)(F)(F) -131.8PredN
NNC(F)(F)(F)3779100.044CH3F3N2(trifluoromethyl)hydrazineN96NNC(F)(F)(F)InChI=1S/CH3F3N2/c2-1(3,4)6-5/h6H,5H2InChIKey=IKRJDNRUEIWOIB-UHFFFAOYSA-N41.2Ex 41.20(BP est) -60.81(MP est) ----(BP exp) ----(MP exp) NNC(F)(F)(F) -60.8PredN
O=P1(C#C)CC13780100.057C4H5OP1-ethynylphosphirane 1-oxideN116O=P1(C#C)CC1InChI=1S/C4H5OP/c1-2-6(5)3-4-6/h1H,3-4H2InChIKey=DTNMOTJQZNWWKG-UHFFFAOYSA-N143.9Ex 143.90(BP est) -30.83(MP est) ----(BP exp) ----(MP exp) O=P1(C#C)CC1 -30.8PredN
O=P(C=C)C#C3783100.057C4H5OPethynyl(vinyl)phosphine oxideN116O=P(C=C)C#CInChI=1S/C4H5OP/c1-3-6(5)4-2/h1,4,6H,2H2InChIKey=KEYGHZUCKZKXOO-UHFFFAOYSA-N136.0Ex 136.02(BP est) -38.67(MP est) ----(BP exp) ----(MP exp) O=P(C=C)C#C -38.7PredN
O=P1C=CC=C13784100.057C4H5OPphosphole 1-oxideN116O=P1C=CC=C1InChI=1S/C4H5OP/c5-6-3-1-2-4-6/h1-4,6HInChIKey=COGFELMKDSTKHZ-UHFFFAOYSA-N148.1Ex 148.06(BP est) -47.67(MP est) ----(BP exp) ----(MP exp) O=P1C=CC=C1 -47.7PredN
F[Si](O)(O)F3785100.096F2H2O2SidifluorosilanediolN75F[Si](O)(O)FInChI=1S/F2H2O2Si/c1-5(2,3)4/h3-4HInChIKey=CJVAUVKDCYPHQX-UHFFFAOYSA-N121.9Ex 543.69(BP est) 218.29(MP est) ----(BP exp) ----(MP exp) F[Si](O)(O)F 218.3PredN
CC1(P)CC=C13786100.101C5H9P(1-methylcyclobut-2-en-1-yl)phosphaneN156CC1(P)CC=C1InChI=1S/C5H9P/c1-5(6)3-2-4-5/h2-3H,4,6H2,1H3InChIKey=QXHGCKDMZPASOG-UHFFFAOYSA-N105.7Ex 105.72(BP est) -54.27(MP est) ----(BP exp) ----(MP exp) CC1(P)CC=C1 -54.3PredN
C=CC1(P)CC13787100.101C5H9P(1-vinylcyclopropyl)phosphaneN156C=CC1(P)CC1InChI=1S/C5H9P/c1-2-5(6)3-4-5/h2H,1,3-4,6H2InChIKey=YAUQHDSBXNLTNZ-UHFFFAOYSA-N98.6Ex 98.59(BP est) -55.85(MP est) ----(BP exp) ----(MP exp) C=CC1(P)CC1 -55.9PredN
CC(CP)C#C3788100.101C5H9P(2-methylbut-3-yn-1-yl)phosphaneN156CC(CP)C#CInChI=1S/C5H9P/c1-3-5(2)4-6/h1,5H,4,6H2,2H3InChIKey=KJDCOTSIYAACNS-UHFFFAOYSA-N102.9Ex 102.92(BP est) -58.64(MP est) ----(BP exp) ----(MP exp) CC(CP)C#C -58.6PredN
CC(C#C)(P)C3789100.101C5H9P(2-methylbut-3-yn-2-yl)phosphaneN156CC(C#C)(P)CInChI=1S/C5H9P/c1-4-5(2,3)6/h1H,6H2,2-3H3InChIKey=REHCVBGPNODZIN-UHFFFAOYSA-N93.4Ex 93.37(BP est) -52.72(MP est) ----(BP exp) ----(MP exp) CC(C#C)(P)C -52.7PredN
PCC1CC=C13790100.101C5H9P(cyclobut-2-en-1-ylmethyl)phosphaneN156PCC1CC=C1InChI=1S/C5H9P/c6-4-5-2-1-3-5/h1-2,5H,3-4,6H2InChIKey=VBROIKJCFPHJLX-UHFFFAOYSA-N118.2Ex 118.15(BP est) -62.59(MP est) ----(BP exp) ----(MP exp) PCC1CC=C1 -62.6PredN
C1CC=CCP13791100.101C5H9P1,2,3,6-tetrahydrophosphinineN156C1CC=CCP1InChI=1S/C5H9P/c1-2-4-6-5-3-1/h1-2,6H,3-5H2InChIKey=NGWRWXZTTCRVJE-UHFFFAOYSA-N106.9Ex 106.90(BP est) -73.70(MP est) ----(BP exp) ----(MP exp) C1CC=CCP1 -73.7PredN
C=CCP1CC13792100.101C5H9P1-allylphosphiraneN156C=CCP1CC1InChI=1S/C5H9P/c1-2-3-6-4-5-6/h2H,1,3-5H2InChIKey=BWLFOZSQMVCBAS-UHFFFAOYSA-N96.3Ex 96.34(BP est) -73.45(MP est) ----(BP exp) ----(MP exp) C=CCP1CC1 -73.5PredN
CCP1C=CC13793100.101C5H9P1-ethyl-1,2-dihydrophospheteN156CCP1C=CC1InChI=1S/C5H9P/c1-2-6-4-3-5-6/h3-4H,2,5H2,1H3InChIKey=WFHIGUDXXGMBSX-UHFFFAOYSA-N103.5Ex 103.49(BP est) -71.86(MP est) ----(BP exp) ----(MP exp) CCP1C=CC1 -71.9PredN
CP1C=CCC13794100.101C5H9P1-methyl-2,3-dihydro-1H-phospholeN156CP1C=CCC1InChI=1S/C5H9P/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3InChIKey=ORZSRTQSMSCHEO-UHFFFAOYSA-N105.7Ex 105.68(BP est) -72.98(MP est) ----(BP exp) ----(MP exp) CP1C=CCC1 -73PredN
C\1=C\CP(C)C/13795100.101C5H9P1-methyl-2,5-dihydro-1H-phospholeN156C\1=C\CP(C)C/1InChI=1S/C5H9P/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3InChIKey=IKHBOSVJTCCGBL-UHFFFAOYSA-N105.7Ex 105.68(BP est) -72.98(MP est) ----(BP exp) ----(MP exp) C\1=C\CP(C)C/1 -73PredN
C=CP1CCC13796100.101C5H9P1-vinylphosphetaneN156C=CP1CCC1InChI=1S/C5H9P/c1-2-6-4-3-5-6/h2H,1,3-5H2InChIKey=UCJSQBFDDVRZTG-UHFFFAOYSA-N98.6Ex 98.55(BP est) -74.56(MP est) ----(BP exp) ----(MP exp) C=CP1CCC1 -74.6PredN
C\C1=C\PCC13797100.101C5H9P4-methyl-2,3-dihydro-1H-phospholeN156C\C1=C\PCC1InChI=1S/C5H9P/c1-5-2-3-6-4-5/h4,6H,2-3H2,1H3InChIKey=BDVGFQZXOSPNBA-UHFFFAOYSA-N122.0Ex 102.67(BP est) -66.91(MP est) ----(BP exp) ----(MP exp) C\C1=C\PCC1 -66.9PredN
C=CPCC=C3798100.101C5H9Pallyl(vinyl)phosphaneN156C=CPCC=CInChI=1S/C5H9P/c1-3-5-6-4-2/h3-4,6H,1-2,5H2InChIKey=IFDXGGZPNNEEOB-UHFFFAOYSA-N84.6Ex 84.56(BP est) -89.93(MP est) ----(BP exp) ----(MP exp) C=CPCC=C -89.9PredN
CPCCC#C3799100.101C5H9Pbut-3-yn-1-yl(methyl)phosphaneN156CPCCC#CInChI=1S/C5H9P/c1-3-4-5-6-2/h1,6H,4-5H2,2H3InChIKey=FFAWQNZGRJYDRD-UHFFFAOYSA-N96.8Ex 96.76(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) CPCCC#C -61.1PredN
CPC(C#C)C3800100.101C5H9Pbut-3-yn-2-yl(methyl)phosphaneN156CPC(C#C)CInChI=1S/C5H9P/c1-4-5(2)6-3/h1,5-6H,2-3H3InChIKey=HPLYPJHGWMGZNP-UHFFFAOYSA-N82.0Ex 82.03(BP est) -72.92(MP est) ----(BP exp) ----(MP exp) CPC(C#C)C -72.9PredN
CPC1CC=C13801100.101C5H9Pcyclobut-2-en-1-yl(methyl)phosphaneN156CPC1CC=C1InChI=1S/C5H9P/c1-6-5-3-2-4-5/h2-3,5-6H,4H2,1H3InChIKey=BXLPUDODANGEJK-UHFFFAOYSA-N97.8Ex 97.77(BP est) -76.72(MP est) ----(BP exp) ----(MP exp) CPC1CC=C1 -76.7PredN
PC1CCC=C13802100.101C5H9Pcyclopent-2-en-1-ylphosphaneN156PC1CCC=C1InChI=1S/C5H9P/c6-5-3-1-2-4-5/h1,3,5H,2,4,6H2InChIKey=YUQLZVSAWHJEFP-UHFFFAOYSA-N120.3Ex 120.29(BP est) -63.72(MP est) ----(BP exp) ----(MP exp) PC1CCC=C1 -63.7PredN
CP(CC#C)C3803100.101C5H9Pdimethyl(prop-2-yn-1-yl)phosphaneN156CP(CC#C)CInChI=1S/C5H9P/c1-4-5-6(2)3/h1H,5H2,2-3H3InChIKey=CHQPIGVVKGXOBW-UHFFFAOYSA-N97.7Ex 97.72(BP est) -61.53(MP est) ----(BP exp) ----(MP exp) CP(CC#C)C -61.5PredN
CP(CC)C#C3804100.101C5H9Pethyl(ethynyl)(methyl)phosphaneN156CP(CC)C#CInChI=1S/C5H9P/c1-4-6(3)5-2/h1H,5H2,2-3H3InChIKey=JUHSSQIDTIWMSB-UHFFFAOYSA-N97.7Ex 97.72(BP est) -61.53(MP est) ----(BP exp) ----(MP exp) CP(CC)C#C -61.5PredN
CCPCC#C3805100.101C5H9Pethyl(prop-2-yn-1-yl)phosphaneN156CCPCC#CInChI=1S/C5H9P/c1-3-5-6-4-2/h1,6H,4-5H2,2H3InChIKey=TVZXGTOPDAWLCX-UHFFFAOYSA-N96.8Ex 96.76(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) CCPCC#C -61.1PredN
C#CPCCC3806100.101C5H9Pethynyl(propyl)phosphaneN156C#CPCCCInChI=1S/C5H9P/c1-3-5-6-4-2/h2,6H,3,5H2,1H3InChIKey=RBSRTZROVWOTMY-UHFFFAOYSA-N96.8Ex 96.76(BP est) -61.12(MP est) ----(BP exp) ----(MP exp) C#CPCCC -61.1PredN
CP(C=C)C=C3807100.101C5H9PmethyldivinylphosphaneN156CP(C=C)C=CInChI=1S/C5H9P/c1-4-6(3)5-2/h4-5H,1-2H2,3H3InChIKey=VOGRMWWTDBMKIF-UHFFFAOYSA-N85.5Ex 85.54(BP est) -90.33(MP est) ----(BP exp) ----(MP exp) CP(C=C)C=C -90.3PredN
CCC(P)C#C3808100.101C5H9Ppent-1-yn-3-ylphosphaneN156CCC(P)C#CInChI=1S/C5H9P/c1-3-5(6)4-2/h1,5H,4,6H2,2H3InChIKey=OCBYBRTWPPVSOB-UHFFFAOYSA-N102.9Ex 102.92(BP est) -58.64(MP est) ----(BP exp) ----(MP exp) CCC(P)C#C -58.6PredN
C#CCCCP3809100.101C5H9Ppent-4-yn-1-ylphosphaneN156C#CCCCPInChI=1S/C5H9P/c1-2-3-4-5-6/h1H,3-6H2InChIKey=JOCPOXCTXPTXGH-UHFFFAOYSA-N117.2Ex 117.17(BP est) -46.98(MP est) ----(BP exp) ----(MP exp) C#CCCCP -47PredN
CC(P)CC#C3810100.101C5H9Ppent-4-yn-2-ylphosphaneN156CC(P)CC#CInChI=1S/C5H9P/c1-3-4-5(2)6/h1,5H,4,6H2,2H3InChIKey=WTAYJUPGMRRFKI-UHFFFAOYSA-N102.9Ex 102.92(BP est) -58.64(MP est) ----(BP exp) ----(MP exp) CC(P)CC#C -58.6PredN
C=CC(P)C=C3811100.101C5H9Ppenta-1,4-dien-3-ylphosphaneN156C=CC(P)C=CInChI=1S/C5H9P/c1-3-5(6)4-2/h3-5H,1-2,6H2InChIKey=DOFOGDYIIGDJBL-UHFFFAOYSA-N90.8Ex 90.84(BP est) -87.41(MP est) ----(BP exp) ----(MP exp) C=CC(P)C=C -87.4PredN
FC#CC1=CS13812100.11C4HFS2-(fluoroethynyl)thiireneN76FC#CC1=CS1InChI=1S/C4HFS/c5-2-1-4-3-6-4/h3HInChIKey=LKCMHNVROZKVEA-UHFFFAOYSA-N121.8Ex 121.84(BP est) 19.38(MP est) ----(BP exp) ----(MP exp) FC#CC1=CS1 19.4PredN
FC(S1)=C1C#C3813100.11C4HFS2-ethynyl-3-fluorothiireneN76FC(S1)=C1C#CInChI=1S/C4HFS/c1-2-3-4(5)6-3/h1HInChIKey=LJEQWNRDZAQMNY-UHFFFAOYSA-N111.1Ex 111.10(BP est) -7.06(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1C#C -7.1PredN
F[Si](F)(C)F3814100.115CH3F3Sitrifluoro(methyl)silaneN85F[Si](F)(C)FInChI=1S/CH3F3Si/c1-5(2,3)4/h1H3InChIKey=BHOCBLDBJFCBQS-UHFFFAOYSA-N-30.2Ex -57.16(BP est) -154.77(MP est) ----(BP exp) ----(MP exp) F[Si](F)(C)F -154.8PredN
C\1=C\C=C/OS/13815100.135C4H4OS1,2-oxathiineN106C\1=C\C=C/OS/1InChI=1S/C4H4OS/c1-2-4-6-5-3-1/h1-4HInChIKey=YBKGERLDRMINOV-UHFFFAOYSA-N143.2Ex 143.24(BP est) -25.59(MP est) ----(BP exp) ----(MP exp) C\1=C\C=C/OS/1 -25.6PredN
C1=CSC=CO13816100.135C4H4OS1,4-oxathiineN106C1=CSC=CO1InChI=1S/C4H4OS/c1-3-6-4-2-5-1/h1-4HInChIKey=CPRVXMQHLPTWLY-UHFFFAOYSA-N143.2Ex 143.24(BP est) -25.59(MP est) ----(BP exp) ----(MP exp) C1=CSC=CO1 -25.6PredN
C1=COC(=C1)S3817100.135C4H4OSfuran-2-thiolN106C1=COC(=C1)SInChI=1S/C4H4OS/c6-4-2-1-3-5-4/h1-3,6HInChIKey=CMDKYFGIJALPLS-UHFFFAOYSA-N138.4Ex 138.37(BP est) -39.49(MP est) ----(BP exp) ----(MP exp) C1=COC(=C1)S -39.5PredN
Sc1ccoc13818100.135C4H4OSfuran-3-thiolN106Sc1ccoc1InChI=1S/C4H4OS/c6-4-1-2-5-3-4/h1-3,6HInChIKey=MWFFRFMPYAKXEY-UHFFFAOYSA-N138.4Ex 138.37(BP est) -39.49(MP est) ----(BP exp) ----(MP exp) Sc1ccoc1 -39.5PredN
O=C1C\C=C/S13819100.135C4H4OSthiophen-2(3H)-oneN106O=C1C\C=C/S1InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1,3H,2H2InChIKey=NKAMYGXYCWMPTC-UHFFFAOYSA-N172.1Ex 172.11(BP est) 5.04(MP est) ----(BP exp) ----(MP exp) O=C1C\C=C/S1 5PredN
O=C1SCC=C13820100.135C4H4OSthiophen-2(5H)-oneN106O=C1SCC=C1InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-2H,3H2InChIKey=NMSLUAZZTFUUFZ-UHFFFAOYSA-N172.1Ex 172.11(BP est) 5.04(MP est) ----(BP exp) ----(MP exp) O=C1SCC=C1 5PredN
OC1=CC=CS13821100.135C4H4OSthiophen-2-olN106OC1=CC=CS1InChI=1S/C4H4OS/c5-4-2-1-3-6-4/h1-3,5HInChIKey=WZMPOCLULGAHJR-UHFFFAOYSA-N180.4Ex 180.39(BP est) 29.59(MP est) ----(BP exp) ----(MP exp) OC1=CC=CS1 29.6PredN
O=C/1CS\C=C\13822100.135C4H4OSthiophen-3(2H)-oneN106O=C/1CS\C=C\1InChI=1S/C4H4OS/c5-4-1-2-6-3-4/h1-2H,3H2InChIKey=VOBWLFNYOWWARN-UHFFFAOYSA-N172.1Ex 172.11(BP est) 5.04(MP est) ----(BP exp) ----(MP exp) O=C/1CS\C=C\1 5PredN
OC1=CSC=C13823100.135C4H4OSthiophen-3-olN106OC1=CSC=C1InChI=1S/C4H4OS/c5-4-1-2-6-3-4/h1-3,5HInChIKey=HERSKCAGZCXYMC-UHFFFAOYSA-N180.4Ex 180.39(BP est) 29.59(MP est) ----(BP exp) ----(MP exp) OC1=CSC=C1 29.6PredN
C1=CS(=O)C=C13824100.135C4H4OSthiophene 1-oxideN106C1=CS(=O)C=C1InChI=1S/C4H4OS/c5-6-3-1-2-4-6/h1-4HInChIKey=LWRYDHOHXNQTSK-UHFFFAOYSA-N189.6Ex 189.56(BP est) -10.56(MP est) ----(BP exp) ----(MP exp) C1=CS(=O)C=C1 -10.6PredN
NC(NC#C)=S3825100.139C3H4N2S1-ethynylthioureaN106NC(NC#C)=SInChI=1S/C3H4N2S/c1-2-5-3(4)6/h1H,(H3,4,5,6)InChIKey=UCKIODJEHAKGOW-UHFFFAOYSA-N190.9Ex 190.85(BP est) 26.34(MP est) ----(BP exp) ----(MP exp) NC(NC#C)=S 26.3PredN
SC1=NC=CN13826100.139C3H4N2S1H-imidazole-2-thiolN106SC1=NC=CN1InChI=1S/C3H4N2S/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)InChIKey=OXFSTTJBVAAALW-UHFFFAOYSA-N294.4Ex 294.41(BP est) 58.88(MP est) ----(BP exp) 228.00(MP exp) SC1=NC=CN1 228ExptN
S=C(CC#N)N3827100.139C3H4N2S2-cyanoethanethioamideN106S=C(CC#N)NInChI=1S/C3H4N2S/c4-2-1-3(5)6/h1H2,(H2,5,6)InChIKey=BHPYMZQTCPRLNR-UHFFFAOYSA-N225.8Ex 225.82(BP est) 37.93(MP est) ----(BP exp) ----(MP exp) S=C(CC#N)N 37.9PredN
CC1=NSN=C13828100.139C3H4N2S3-methyl-1,2,5-thiadiazoleN106CC1=NSN=C1InChI=1S/C3H4N2S/c1-3-2-4-6-5-3/h2H,1H3InChIKey=WCUMFMHNYNLLBE-UHFFFAOYSA-N157.7Ex 157.74(BP est) 8.86(MP est) ----(BP exp) ----(MP exp) CC1=NSN=C1 8.9PredN
NC1=NSC=C13829100.139C3H4N2Sisothiazol-3-amineN106NC1=NSC=C1InChI=1S/C3H4N2S/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)InChIKey=IYCKMNAVTMOAKD-UHFFFAOYSA-N203.4Ex 203.41(BP est) 31.79(MP est) ----(BP exp) ----(MP exp) NC1=NSC=C1 31.8PredN
NC1=CSN=C13830100.139C3H4N2Sisothiazol-4-amineN106NC1=CSN=C1InChI=1S/C3H4N2S/c4-3-1-5-6-2-3/h1-2H,4H2InChIKey=SFJCFBXXCFKVGU-UHFFFAOYSA-N203.4Ex 203.41(BP est) 31.79(MP est) ----(BP exp) ----(MP exp) NC1=CSN=C1 31.8PredN
S=C(C#N)NC3831100.139C3H4N2Smethylcarbamothioyl cyanideN106S=C(C#N)NCInChI=1S/C3H4N2S/c1-5-3(6)2-4/h1H3,(H,5,6)InChIKey=FKNLHKZVRQVEFF-UHFFFAOYSA-N210.9Ex 210.92(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) S=C(C#N)NC 28.1PredN
NC1=NC=CS13832100.139C3H4N2Sthiazol-2-amineN106NC1=NC=CS1InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)InChIKey=RAIPHJJURHTUIC-UHFFFAOYSA-N117.0Ex 203.41(BP est) 31.79(MP est) ----(BP exp) 93.00(MP exp) NC1=NC=CS1 93ExptN
NC1=CSC=N13833100.139C3H4N2Sthiazol-4-amineN106NC1=CSC=N1InChI=1S/C3H4N2S/c4-3-1-6-2-5-3/h1-2H,4H2InChIKey=QHHHLHCCVDMOJI-UHFFFAOYSA-N203.4Ex 203.41(BP est) 31.79(MP est) ----(BP exp) ----(MP exp) NC1=CSC=N1 31.8PredN
NC1=CN=CS13834100.139C3H4N2Sthiazol-5-amineN106NC1=CN=CS1InChI=1S/C3H4N2S/c4-3-1-5-2-6-3/h1-2H,4H2InChIKey=LKFXYYLRIUSARI-UHFFFAOYSA-N203.4Ex 203.41(BP est) 31.79(MP est) ----(BP exp) ----(MP exp) NC1=CN=CS1 31.8PredN
C(=C=S)=C=S3835100.153C3S2propa-1,2-diene-1,3-dithioneN55C(=C=S)=C=SInChI=1S/C3S2/c4-2-1-3-5InChIKey=RMCQREAPGZPWGK-UHFFFAOYSA-N178.2Ex -13.03(BP est) -126.98(MP est) ----(BP exp) ----(MP exp) C(=C=S)=C=S -127PredN
F[Si]1(CC1)C#C3836100.167C4H5FSi1-ethynyl-1-fluorosiliraneN116F[Si]1(CC1)C#CInChI=1S/C4H5FSi/c1-2-6(5)3-4-6/h1H,3-4H2InChIKey=SOBFSJNFXQPFNG-UHFFFAOYSA-N25.2Ex 25.23(BP est) -37.57(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1)C#C -37.6PredN
CSC=C1CC13837100.179C5H8S(cyclopropylidenemethyl)(methyl)sulfaneN146CSC=C1CC1InChI=1S/C5H8S/c1-6-4-5-2-3-5/h4H,2-3H2,1H3InChIKey=LLVMXSISWZEAEY-UHFFFAOYSA-N130.5Ex 130.48(BP est) -48.79(MP est) ----(BP exp) ----(MP exp) CSC=C1CC1 -48.8PredN
CC(=S)C1CC13838100.179C5H8S1-cyclopropylethane-1-thioneN146CC(=S)C1CC1InChI=1S/C5H8S/c1-4(6)5-2-3-5/h5H,2-3H2,1H3InChIKey=SIFMNNCAEYQIMI-UHFFFAOYSA-N132.7Ex 132.65(BP est) -33.29(MP est) ----(BP exp) ----(MP exp) CC(=S)C1CC1 -33.3PredN
CC12C(S2)CC13839100.179C5H8S1-methyl-5-thiabicyclo[2.1.0]pentaneN146CC12C(S2)CC1InChI=1S/C5H8S/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3InChIKey=UCFLAJISUBHGOT-UHFFFAOYSA-N107.6Ex 107.61(BP est) -18.56(MP est) ----(BP exp) ----(MP exp) CC12C(S2)CC1 -18.6PredN
SC1(CC=C1)C3840100.179C5H8S1-methylcyclobut-2-ene-1-thiolN146SC1(CC=C1)CInChI=1S/C5H8S/c1-5(6)3-2-4-5/h2-3,6H,4H2,1H3InChIKey=QWLNDQXJRWOFIT-UHFFFAOYSA-N127.5Ex 127.54(BP est) -45.35(MP est) ----(BP exp) ----(MP exp) SC1(CC=C1)C -45.4PredN
C1C2(CCC2)S13841100.179C5H8S1-thiaspiro[2.3]hexaneN146C1C2(CCC2)S1InChI=1S/C5H8S/c1-2-5(3-1)4-6-5/h1-4H2InChIKey=NURYQHBMSWENET-UHFFFAOYSA-N116.6Ex 116.60(BP est) -15.58(MP est) ----(BP exp) ----(MP exp) C1C2(CCC2)S1 -15.6PredN
SC1(C=C)CC13842100.179C5H8S1-vinylcyclopropane-1-thiolN146SC1(C=C)CC1InChI=1S/C5H8S/c1-2-5(6)3-4-5/h2,6H,1,3-4H2InChIKey=AFAKCBOWMKNWLX-UHFFFAOYSA-N120.7Ex 120.66(BP est) -46.86(MP est) ----(BP exp) ----(MP exp) SC1(C=C)CC1 -46.9PredN
S1C(/C=C/C)C13843100.179C5H8S2-(prop-1-en-1-yl)thiiraneN146S1C(/C=C/C)C1InChI=1S/C5H8S/c1-2-3-5-4-6-5/h2-3,5H,4H2,1H3InChIKey=IJOXDFFAECYRRA-UHFFFAOYSA-N125.3Ex 125.33(BP est) -38.61(MP est) ----(BP exp) ----(MP exp) S1C(/C=C/C)C1 -38.6PredN
C=CCC1CS13844100.179C5H8S2-allylthiiraneN146C=CCC1CS1InChI=1S/C5H8S/c1-2-3-5-4-6-5/h2,5H,1,3-4H2InChIKey=QKIYNADTHXMOAD-UHFFFAOYSA-N116.4Ex 116.44(BP est) -39.55(MP est) ----(BP exp) ----(MP exp) C=CCC1CS1 -39.6PredN
CC(S1)=C1CC3845100.179C5H8S2-ethyl-3-methylthiireneN146CC(S1)=C1CCInChI=1S/C5H8S/c1-3-5-4(2)6-5/h3H2,1-2H3InChIKey=TWOFSQGZVGRZBV-UHFFFAOYSA-N124.0Ex 123.97(BP est) -21.45(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1CC -21.5PredN
CC1C2(CC2)S13846100.179C5H8S2-methyl-1-thiaspiro[2.2]pentaneN146CC1C2(CC2)S1InChI=1S/C5H8S/c1-4-5(6-4)2-3-5/h4H,2-3H2,1H3InChIKey=GSZBPZIPXIROFG-UHFFFAOYSA-N107.6Ex 107.61(BP est) -18.56(MP est) ----(BP exp) ----(MP exp) CC1C2(CC2)S1 -18.6PredN
CC1(C=C)CS13847100.179C5H8S2-methyl-2-vinylthiiraneN146CC1(C=C)CS1InChI=1S/C5H8S/c1-3-5(2)4-6-5/h3H,1,4H2,2H3InChIKey=DXSUJVXSBSRPBA-UHFFFAOYSA-N104.0Ex 103.96(BP est) -31.24(MP est) ----(BP exp) ----(MP exp) CC1(C=C)CS1 -31.2PredN
CC1C(C=C)S13848100.179C5H8S2-methyl-3-vinylthiiraneN146CC1C(C=C)S1InChI=1S/C5H8S/c1-3-5-4(2)6-5/h3-5H,1H2,2H3InChIKey=BJVDRWXUAGHHBT-UHFFFAOYSA-N109.6Ex 109.62(BP est) -43.66(MP est) ----(BP exp) ----(MP exp) CC1C(C=C)S1 -43.7PredN
SCC(C#C)C3849100.179C5H8S2-methylbut-3-yne-1-thiolN146SCC(C#C)CInChI=1S/C5H8S/c1-3-5(2)4-6/h1,5-6H,4H2,2H3InChIKey=OJTZOVPSHMUBNC-UHFFFAOYSA-N124.8Ex 124.84(BP est) -49.69(MP est) ----(BP exp) ----(MP exp) SCC(C#C)C -49.7PredN
SC(C)(C#C)C3850100.179C5H8S2-methylbut-3-yne-2-thiolN146SC(C)(C#C)CInChI=1S/C5H8S/c1-4-5(2,3)6/h1,6H,2-3H3InChIKey=KTHNNBBUWBKLAD-UHFFFAOYSA-N115.6Ex 115.62(BP est) -43.67(MP est) ----(BP exp) ----(MP exp) SC(C)(C#C)C -43.7PredN
C=C1SCCC13851100.179C5H8S2-methylenetetrahydrothiopheneN146C=C1SCCC1InChI=1S/C5H8S/c1-5-3-2-4-6-5/h1-4H2InChIKey=YDEQMSFRYNLREU-UHFFFAOYSA-N123.4Ex 123.39(BP est) -31.20(MP est) ----(BP exp) ----(MP exp) C=C1SCCC1 -31.2PredN
CCCC1=CS13852100.179C5H8S2-propylthiireneN146CCCC1=CS1InChI=1S/C5H8S/c1-2-3-5-4-6-5/h4H,2-3H2,1H3InChIKey=BGONMZMOYNXUPA-UHFFFAOYSA-N126.0Ex 125.95(BP est) -27.13(MP est) ----(BP exp) ----(MP exp) CCCC1=CS1 -27.1PredN
C12SCC1CC23853100.179C5H8S2-thiabicyclo[2.2.0]hexaneN146C12SCC1CC2InChI=1S/C5H8S/c1-2-5-4(1)3-6-5/h4-5H,1-3H2InChIKey=NQGLFRNXFRXEPX-UHFFFAOYSA-N122.1Ex 122.14(BP est) -28.03(MP est) ----(BP exp) ----(MP exp) C12SCC1CC2 -28PredN
C=CC1SCC13854100.179C5H8S2-vinylthietaneN146C=CC1SCC1InChI=1S/C5H8S/c1-2-5-3-4-6-5/h2,5H,1,3-4H2InChIKey=PCYCQNKDJRNHAK-UHFFFAOYSA-N118.6Ex 118.58(BP est) -40.68(MP est) ----(BP exp) ----(MP exp) C=CC1SCC1 -40.7PredN
C(C1)SC=C(C1)3855100.179C5H8S3,4-dihydro-2H-thiopyranN146C(C1)SC=C(C1)InChI=1S/C5H8S/c1-2-4-6-5-3-1/h2,4H,1,3,5H2InChIKey=ATVJJNGVPSKBGO-UHFFFAOYSA-N143.5Ex 134.20(BP est) -36.26(MP est) ----(BP exp) ----(MP exp) C(C1)SC=C(C1) -36.3PredN
C1CC=CCS13856100.179C5H8S3,6-dihydro-2H-thiopyranN146C1CC=CCS1InChI=1S/C5H8S/c1-2-4-6-5-3-1/h1-2H,3-5H2InChIKey=UNVYSECOIMWWKM-UHFFFAOYSA-N134.2Ex 134.20(BP est) -36.26(MP est) ----(BP exp) ----(MP exp) C1CC=CCS1 -36.3PredY(Kattel and Maga 1995)
S1C/C=C(/C)C13857100.179C5H8S3-methyl-2,5-dihydrothiopheneN146S1C/C=C(/C)C1InChI=1S/C5H8S/c1-5-2-3-6-4-5/h2H,3-4H2,1H3InChIKey=RJSLKQRSSBPMMB-UHFFFAOYSA-N147.5Ex 130.16(BP est) -29.42(MP est) ----(BP exp) ----(MP exp) S1C/C=C(/C)C1 -29.4PredN
C=CC1CSC13858100.179C5H8S3-vinylthietaneN146C=CC1CSC1InChI=1S/C5H8S/c1-2-5-3-6-4-5/h2,5H,1,3-4H2InChIKey=NRZIKJMLQCVPBG-UHFFFAOYSA-N118.6Ex 118.58(BP est) -40.68(MP est) ----(BP exp) ----(MP exp) C=CC1CSC1 -40.7PredN
S1\C=C(\C)CC13859100.179C5H8S4-methyl-2,3-dihydrothiopheneN146S1\C=C(\C)CC1InChI=1S/C5H8S/c1-5-2-3-6-4-5/h4H,2-3H2,1H3InChIKey=FYECQQNUNHLGLS-UHFFFAOYSA-N139.4Ex 130.16(BP est) -29.42(MP est) ----(BP exp) ----(MP exp) S1\C=C(\C)CC1 -29.4PredN
C1CC2(CC2)S13860100.179C5H8S4-thiaspiro[2.3]hexaneN146C1CC2(CC2)S1InChI=1S/C5H8S/c1-2-5(1)3-4-6-5/h1-4H2InChIKey=KSIQSPVKFPMLQY-UHFFFAOYSA-N116.6Ex 116.60(BP est) -15.58(MP est) ----(BP exp) ----(MP exp) C1CC2(CC2)S1 -15.6PredN
S1\C(=C/CC1)C3861100.179C5H8S5-methyl-2,3-dihydrothiopheneN146S1\C(=C/CC1)CInChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3InChIKey=KBUVXRDFMQNIPD-UHFFFAOYSA-N130.2Ex 130.16(BP est) -29.42(MP est) ----(BP exp) ----(MP exp) S1\C(=C/CC1)C -29.4PredN
C1(CC2)CC2S13862100.179C5H8S5-thiabicyclo[2.1.1]hexaneN146C1(CC2)CC2S1InChI=1S/C5H8S/c1-2-5-3-4(1)6-5/h4-5H,1-3H2InChIKey=SXPPOVVADQBVJR-UHFFFAOYSA-N122.1Ex 122.14(BP est) -28.03(MP est) ----(BP exp) ----(MP exp) C1(CC2)CC2S1 -28PredN
C1C2(CC2)CS13863100.179C5H8S5-thiaspiro[2.3]hexaneN146C1C2(CC2)CS1InChI=1S/C5H8S/c1-2-5(1)3-6-4-5/h1-4H2InChIKey=PILLZPMJUMDSDF-UHFFFAOYSA-N116.6Ex 116.60(BP est) -15.58(MP est) ----(BP exp) ----(MP exp) C1C2(CC2)CS1 -15.6PredN
C1(CCC2)C2S13864100.179C5H8S6-thiabicyclo[3.1.0]hexaneN146C1(CCC2)C2S1InChI=1S/C5H8S/c1-2-4-5(3-1)6-4/h4-5H,1-3H2InChIKey=GYDYAIFGNFSDAP-UHFFFAOYSA-N122.1Ex 122.14(BP est) -28.03(MP est) ----(BP exp) ----(MP exp) C1(CCC2)C2S1 -28PredN
C=CCSC=C3865100.179C5H8Sallyl(vinyl)sulfaneN146C=CCSC=CInChI=1S/C5H8S/c1-3-5-6-4-2/h3-4H,1-2,5H2InChIKey=UIEDUKUSRQUKMJ-UHFFFAOYSA-N113.3Ex 113.25(BP est) -71.85(MP est) ----(BP exp) ----(MP exp) C=CCSC=C -71.9PredN
CCC#CSC3866100.179C5H8Sbut-1-yn-1-yl(methyl)sulfaneN146CCC#CSCInChI=1S/C5H8S/c1-3-4-5-6-2/h3H2,1-2H3InChIKey=ICTBMANYDVPJPQ-UHFFFAOYSA-N133.5Ex 133.45(BP est) -11.14(MP est) ----(BP exp) ----(MP exp) CCC#CSC -11.1PredN
CSCCC#C3867100.179C5H8Sbut-3-yn-1-yl(methyl)sulfaneN146CSCCC#CInChI=1S/C5H8S/c1-3-4-5-6-2/h1H,4-5H2,2H3InChIKey=ALYQBVNXKVBDQH-UHFFFAOYSA-N124.9Ex 124.91(BP est) -43.20(MP est) ----(BP exp) ----(MP exp) CSCCC#C -43.2PredN
CSC(C#C)C3868100.179C5H8Sbut-3-yn-2-yl(methyl)sulfaneN146CSC(C#C)CInChI=1S/C5H8S/c1-4-5(2)6-3/h1,5H,2-3H3InChIKey=XYWDDMKNNFGLDD-UHFFFAOYSA-N110.8Ex 110.84(BP est) -54.81(MP est) ----(BP exp) ----(MP exp) CSC(C#C)C -54.8PredN
CSC=CC=C3869100.179C5H8Sbuta-1,3-dien-1-yl(methyl)sulfaneN146CSC=CC=CInChI=1S/C5H8S/c1-3-4-5-6-2/h3-5H,1H2,2H3InChIKey=FEENQOXXWHCDCN-UHFFFAOYSA-N122.2Ex 122.19(BP est) -70.90(MP est) ----(BP exp) ----(MP exp) CSC=CC=C -70.9PredN
CSC(C=C)=C3870100.179C5H8Sbuta-1,3-dien-2-yl(methyl)sulfaneN146CSC(C=C)=CInChI=1S/C5H8S/c1-4-5(2)6-3/h4H,1-2H2,3H3InChIKey=MHCTWEGHIQDHLS-UHFFFAOYSA-N106.8Ex 106.80(BP est) -80.72(MP est) ----(BP exp) ----(MP exp) CSC(C=C)=C -80.7PredN
CSCC=C=C3871100.179C5H8Sbuta-2,3-dien-1-yl(methyl)sulfaneN146CSCC=C=CInChI=1S/C5H8S/c1-3-4-5-6-2/h4H,1,5H2,2H3InChIKey=QBPPSVLQNFEIKL-UHFFFAOYSA-N116.9Ex 116.87(BP est) -66.66(MP est) ----(BP exp) ----(MP exp) CSCC=C=C -66.7PredN
CSC1=CCC13872100.179C5H8Scyclobut-1-en-1-yl(methyl)sulfaneN146CSC1=CCC1InChI=1S/C5H8S/c1-6-5-3-2-4-5/h3H,2,4H2,1H3InChIKey=XYPDJOSMABXJLU-UHFFFAOYSA-N130.6Ex 130.56(BP est) -49.07(MP est) ----(BP exp) ----(MP exp) CSC1=CCC1 -49.1PredN
CSC1CC=C13873100.179C5H8Scyclobut-2-en-1-yl(methyl)sulfaneN146CSC1CC=C1InChI=1S/C5H8S/c1-6-5-3-2-4-5/h2-3,5H,4H2,1H3InChIKey=WVMCDVZNMXYAOL-UHFFFAOYSA-N125.9Ex 125.88(BP est) -58.82(MP est) ----(BP exp) ----(MP exp) CSC1CC=C1 -58.8PredN
SCC1CC=C13874100.179C5H8Scyclobut-2-en-1-ylmethanethiolN146SCC1CC=C1InChI=1S/C5H8S/c6-4-5-2-1-3-5/h1-2,5-6H,3-4H2InChIKey=BPODZWJBOFHILK-UHFFFAOYSA-N139.5Ex 139.53(BP est) -53.80(MP est) ----(BP exp) ----(MP exp) SCC1CC=C1 -53.8PredN
SC1CCC=C13875100.179C5H8Scyclopent-2-ene-1-thiolN146SC1CCC=C1InChI=1S/C5H8S/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2InChIKey=XWUQMBSFEKQGDA-UHFFFAOYSA-N141.6Ex 141.59(BP est) -54.96(MP est) ----(BP exp) ----(MP exp) SC1CCC=C1 -55PredN
SC(C1)C(C=C1)3876100.179C5H8Scyclopent-3-ene-1-thiolN146SC(C1)C(C=C1)InChI=1S/C5H8S/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2InChIKey=MHIJWNWEFRCKIK-UHFFFAOYSA-N141.6Ex 141.59(BP est) -54.96(MP est) ----(BP exp) ----(MP exp) SC(C1)C(C=C1) -55PredN
S=C1CCCC13877100.179C5H8ScyclopentanethioneN146S=C1CCCC1InChI=1S/C5H8S/c6-5-3-1-2-4-5/h1-4H2InChIKey=WCOOTBDRCHTKSY-UHFFFAOYSA-N204.8Ex 204.78(BP est) -11.87(MP est) ----(BP exp) ----(MP exp) S=C1CCCC1 -11.9PredN
C=CSC1CC13878100.179C5H8Scyclopropyl(vinyl)sulfaneN146C=CSC1CC1InChI=1S/C5H8S/c1-2-6-5-3-4-5/h2,5H,1,3-4H2InChIKey=GUFKKPNIJNWBEX-UHFFFAOYSA-N119.0Ex 118.98(BP est) -60.33(MP est) ----(BP exp) ----(MP exp) C=CSC1CC1 -60.3PredN
CC#CSCC3879100.179C5H8Sethyl(prop-1-yn-1-yl)sulfaneN146CC#CSCCInChI=1S/C5H8S/c1-3-5-6-4-2/h4H2,1-2H3InChIKey=HYQQDBGCQLTFKD-UHFFFAOYSA-N133.5Ex 133.45(BP est) -11.14(MP est) ----(BP exp) ----(MP exp) CC#CSCC -11.1PredN
CCSCC#C3880100.179C5H8Sethyl(prop-2-yn-1-yl)sulfaneN146CCSCC#CInChI=1S/C5H8S/c1-3-5-6-4-2/h1H,4-5H2,2H3InChIKey=HGRTUSIZMXOMCD-UHFFFAOYSA-N124.9Ex 124.91(BP est) -43.20(MP est) ----(BP exp) ----(MP exp) CCSCC#C -43.2PredN
CCSC=C=C3881100.179C5H8Sethyl(propa-1,2-dien-1-yl)sulfaneN146CCSC=C=CInChI=1S/C5H8S/c1-3-5-6-4-2/h5H,1,4H2,2H3InChIKey=CKHZXZNQASCINF-UHFFFAOYSA-N116.9Ex 116.87(BP est) -66.66(MP est) ----(BP exp) ----(MP exp) CCSC=C=C -66.7PredN
SC(C#C)CC3882100.179C5H8Spent-1-yne-3-thiolN146SC(C#C)CCInChI=1S/C5H8S/c1-3-5(6)4-2/h1,5-6H,4H2,2H3InChIKey=IKKHEZBKQKNMMN-UHFFFAOYSA-N124.8Ex 124.84(BP est) -49.69(MP est) ----(BP exp) ----(MP exp) SC(C#C)CC -49.7PredN
SCCCC#C3883100.179C5H8Spent-4-yne-1-thiolN146SCCCC#CInChI=1S/C5H8S/c1-2-3-4-5-6/h1,6H,3-5H2InChIKey=ZKNNFPMQXFHRCN-UHFFFAOYSA-N138.6Ex 138.58(BP est) -38.18(MP est) ----(BP exp) ----(MP exp) SCCCC#C -38.2PredN
SC(CC#C)C3884100.179C5H8Spent-4-yne-2-thiolN146SC(CC#C)CInChI=1S/C5H8S/c1-3-4-5(2)6/h1,5-6H,4H2,2H3InChIKey=HFMYMIOIAQQMKX-UHFFFAOYSA-N124.8Ex 124.84(BP est) -49.69(MP est) ----(BP exp) ----(MP exp) SC(CC#C)C -49.7PredN
SC(C=C)C=C3885100.179C5H8Spenta-1,4-diene-3-thiolN146SC(C=C)C=CInChI=1S/C5H8S/c1-3-5(6)4-2/h3-6H,1-2H2InChIKey=IRPCPLKDNVXXHW-UHFFFAOYSA-N113.2Ex 113.18(BP est) -78.34(MP est) ----(BP exp) ----(MP exp) SC(C=C)C=C -78.3PredN
C=CSC=CC3886100.179C5H8Sprop-1-en-1-yl(vinyl)sulfaneN146C=CSC=CCInChI=1S/C5H8S/c1-3-5-6-4-2/h3-5H,2H2,1H3InChIKey=XEUVKCJHIIMXRA-UHFFFAOYSA-N122.2Ex 122.19(BP est) -70.90(MP est) ----(BP exp) ----(MP exp) C=CSC=CC -70.9PredN
C=CSC(C)=C3887100.179C5H8Sprop-1-en-2-yl(vinyl)sulfaneN146C=CSC(C)=CInChI=1S/C5H8S/c1-4-6-5(2)3/h4H,1-2H2,3H3InChIKey=YBZRXWFVKKTHMN-UHFFFAOYSA-N106.8Ex 106.80(BP est) -80.72(MP est) ----(BP exp) ----(MP exp) C=CSC(C)=C -80.7PredN
C[Si]1(O)CC=C13888100.192C4H8OSi1-methyl-1,2-dihydrosilet-1-olN146C[Si]1(O)CC=C1InChI=1S/C4H8OSi/c1-6(5)3-2-4-6/h2-3,5H,4H2,1H3InChIKey=JAQHTAXXLILKAI-UHFFFAOYSA-N130.6Ex 130.60(BP est) -1.56(MP est) ----(BP exp) ----(MP exp) C[Si]1(O)CC=C1 -1.6PredN
C=C[Si]1(O)CC13889100.192C4H8OSi1-vinylsiliran-1-olN146C=C[Si]1(O)CC1InChI=1S/C4H8OSi/c1-2-6(5)3-4-6/h2,5H,1,3-4H2InChIKey=ZMEMQFGKCZSOJX-UHFFFAOYSA-N123.8Ex 123.76(BP est) -3.06(MP est) ----(BP exp) ----(MP exp) C=C[Si]1(O)CC1 -3.1PredN
C[Si](C#C)(O)C3890100.192C4H8OSiethynyldimethylsilanolN146C[Si](C#C)(O)CInChI=1S/C4H8OSi/c1-4-6(2,3)5/h1,5H,2-3H3InChIKey=XEGFFGQZIIDFRL-UHFFFAOYSA-N138.4Ex 138.38(BP est) -27.76(MP est) ----(BP exp) ----(MP exp) C[Si](C#C)(O)C -27.8PredN
C[Si]1(CCC1)C3891100.236C5H12Si1,1-dimethylsiletaneN186C[Si]1(CCC1)CInChI=1S/C5H12Si/c1-6(2)4-3-5-6/h3-5H2,1-2H3InChIKey=YQQFFTNDQFUNHB-UHFFFAOYSA-N80.0Ex 42.20(BP est) -52.52(MP est) ----(BP exp) ----(MP exp) C[Si]1(CCC1)C -52.5PredN
C[Si]1(CC)CC13892100.236C5H12Si1-ethyl-1-methylsiliraneN186C[Si]1(CC)CC1InChI=1S/C5H12Si/c1-3-6(2)4-5-6/h3-5H2,1-2H3InChIKey=DSQMYIGDGXYQQY-UHFFFAOYSA-N39.8Ex 39.80(BP est) -51.46(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC)CC1 -51.5PredN
C[Si](C)(C=C)C3893100.236C5H12Sitrimethyl(vinyl)silaneN186C[Si](C)(C=C)CInChI=1S/C5H12Si/c1-5-6(2,3)4/h5H,1H2,2-4H3InChIKey=GCSJLQSCSDMKTP-UHFFFAOYSA-N55.0Ex 43.47(BP est) -104.61(MP est) 55.00(BP exp) ----(MP exp) C[Si](C)(C=C)C -104.6PredN
PC(Cl)F3895100.457CH3ClFP(chlorofluoromethyl)phosphaneN74PC(Cl)FInChI=1S/CH3ClFP/c2-1(3)4/h1H,4H2InChIKey=VRKAUCYCUPAARF-UHFFFAOYSA-N50.2Ex 50.17(BP est) -104.81(MP est) ----(BP exp) ----(MP exp) PC(Cl)F -104.8PredN
C(C(Cl)(F)F)3896100.493C2H3ClF21-chloro-1,1-difluoroethaneN85C(C(Cl)(F)F)InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3InChIKey=BHNZEZWIUMJCGF-UHFFFAOYSA-N-9.7Ex -13.75(BP est) -124.52(MP est) -9.70(BP exp) -130.80(MP exp) C(C(Cl)(F)F) -130.8ExptN
C(F)(C(Cl)F)3897100.493C2H3ClF21-chloro-1,2-difluoroethaneN85C(F)(C(Cl)F)InChI=1S/C2H3ClF2/c3-2(5)1-4/h2H,1H2InChIKey=UOVSDUIHNGNMBZ-UHFFFAOYSA-N7.5Ex 12.16(BP est) -125.66(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)F) -125.7PredN
C(Cl)(C(F)F)3898100.493C2H3ClF22-chloro-1,1-difluoroethaneN85C(Cl)(C(F)F)InChI=1S/C2H3ClF2/c3-1-2(4)5/h2H,1H2InChIKey=ATEBGNALLCMSGS-UHFFFAOYSA-N35.1Ex 26.84(BP est) -121.38(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)F) -121.4PredN
ClC#CC1=CO13899100.501C4HClO2-(chloroethynyl)oxireneN76ClC#CC1=CO1InChI=1S/C4HClO/c5-2-1-4-3-6-4/h3HInChIKey=TVCJTIZWLPIKIC-UHFFFAOYSA-N119.9Ex 119.86(BP est) 8.03(MP est) ----(BP exp) ----(MP exp) ClC#CC1=CO1 8PredN
ClC(O1)=C1C#C3900100.501C4HClO2-chloro-3-ethynyloxireneN76ClC(O1)=C1C#CInChI=1S/C4HClO/c1-2-3-4(5)6-3/h1HInChIKey=SHTBIOAIUXVIMI-UHFFFAOYSA-N109.1Ex 109.08(BP est) -18.43(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1C#C -18.4PredN
SC(Cl)(F)3901100.535CH2ClFSchlorofluoromethanethiolN64SC(Cl)(F)InChI=1S/CH2ClFS/c2-1(3)4/h1,4HInChIKey=IVZWXWXJYMAWTL-UHFFFAOYSA-N73.9Ex 73.88(BP est) -95.34(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F) -95.3PredN
ClC#CC1CC13902100.545C5H5Cl(chloroethynyl)cyclopropaneN116ClC#CC1CC1InChI=1S/C5H5Cl/c6-4-3-5-1-2-5/h5H,1-2H2InChIKey=NFGNAQJFHZJLPZ-UHFFFAOYSA-N105.6Ex 105.61(BP est) -12.54(MP est) ----(BP exp) ----(MP exp) ClC#CC1CC1 -12.5PredN
ClC(C1=CC1)=C3903100.545C5H5Cl1-(1-chlorovinyl)cycloprop-1-eneN116ClC(C1=CC1)=CInChI=1S/C5H5Cl/c1-4(6)5-2-3-5/h2H,1,3H2InChIKey=XHRVBRWSLDDWDK-UHFFFAOYSA-N87.8Ex 87.82(BP est) -69.89(MP est) ----(BP exp) ----(MP exp) ClC(C1=CC1)=C -69.9PredN
ClC=CC1=CC13904100.545C5H5Cl1-(2-chlorovinyl)cycloprop-1-eneN116ClC=CC1=CC1InChI=1S/C5H5Cl/c6-4-3-5-1-2-5/h1,3-4H,2H2InChIKey=OPEZSBPWVWNNAP-UHFFFAOYSA-N103.7Ex 103.68(BP est) -59.94(MP est) ----(BP exp) ----(MP exp) ClC=CC1=CC1 -59.9PredN
ClC1(C#C)CC13905100.545C5H5Cl1-chloro-1-ethynylcyclopropaneN116ClC1(C#C)CC1InChI=1S/C5H5Cl/c1-2-5(6)3-4-5/h1H,3-4H2InChIKey=PSYKWBMKGMCBTL-UHFFFAOYSA-N89.0Ex 85.97(BP est) -35.89(MP est) ----(BP exp) ----(MP exp) ClC1(C#C)CC1 -35.9PredN
ClC1CC1C#C3906100.545C5H5Cl1-chloro-2-ethynylcyclopropaneN116ClC1CC1C#CInChI=1S/C5H5Cl/c1-2-4-3-5(4)6/h1,4-5H,3H2InChIKey=LDKOIWCNQHXIKE-UHFFFAOYSA-N104.9Ex 104.89(BP est) -44.44(MP est) ----(BP exp) ----(MP exp) ClC1CC1C#C -44.4PredN
ClC=C(C#C)C3907100.545C5H5Cl1-chloro-2-methylbut-1-en-3-yneN116ClC=C(C#C)CInChI=1S/C5H5Cl/c1-3-5(2)4-6/h1,4H,2H3InChIKey=YLTZTECXOREYLB-UHFFFAOYSA-N93.4Ex 93.39(BP est) -64.17(MP est) ----(BP exp) ----(MP exp) ClC=C(C#C)C -64.2PredN
ClC(C1)=C1C=C3908100.545C5H5Cl1-chloro-2-vinylcycloprop-1-eneN116ClC(C1)=C1C=CInChI=1S/C5H5Cl/c1-2-4-3-5(4)6/h2H,1,3H2InChIKey=ZDQBPOCIXMZANN-UHFFFAOYSA-N92.4Ex 92.38(BP est) -55.31(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1C=C -55.3PredN
C=C1CC(Cl)=C13909100.545C5H5Cl1-chloro-3-methylenecyclobut-1-eneN116C=C1CC(Cl)=C1InChI=1S/C5H5Cl/c1-4-2-5(6)3-4/h2H,1,3H2InChIKey=WINYLVIMIKOMHA-UHFFFAOYSA-N92.5Ex 92.46(BP est) -55.59(MP est) ----(BP exp) ----(MP exp) C=C1CC(Cl)=C1 -55.6PredN
ClC1=CC1C=C3910100.545C5H5Cl1-chloro-3-vinylcycloprop-1-eneN116ClC1=CC1C=CInChI=1S/C5H5Cl/c1-2-4-3-5(4)6/h2-4H,1H2InChIKey=KFJJXMZTICVUCY-UHFFFAOYSA-N87.4Ex 87.41(BP est) -65.15(MP est) ----(BP exp) ----(MP exp) ClC1=CC1C=C -65.2PredN
C=C1CC=C1Cl3911100.545C5H5Cl1-chloro-4-methylenecyclobut-1-eneN116C=C1CC=C1ClInChI=1S/C5H5Cl/c1-4-2-3-5(4)6/h3H,1-2H2InChIKey=GXMSZJPEKRRRNH-UHFFFAOYSA-N92.5Ex 92.46(BP est) -55.59(MP est) ----(BP exp) ----(MP exp) C=C1CC=C1Cl -55.6PredN
ClC12C=C1CC23912100.545C5H5Cl1-chlorobicyclo[2.1.0]pent-4-eneN116ClC12C=C1CC2InChI=1S/C5H5Cl/c6-5-2-1-4(5)3-5/h3H,1-2H2InChIKey=ATUPKHSCBSJZRL-UHFFFAOYSA-N87.5Ex 87.51(BP est) -39.44(MP est) ----(BP exp) ----(MP exp) ClC12C=C1CC2 -39.4PredN
ClC1=CC=CC13913100.545C5H5Cl1-chlorocyclopenta-1,3-dieneN116ClC1=CC=CC1InChI=1S/C5H5Cl/c6-5-3-1-2-4-5/h1-3H,4H2InChIKey=XSGLORNRAPZQHY-UHFFFAOYSA-N103.8Ex 103.83(BP est) -60.49(MP est) ----(BP exp) ----(MP exp) ClC1=CC=CC1 -60.5PredN
CC#CC=CCl3914100.545C5H5Cl1-chloropent-1-en-3-yneN116CC#CC=CClInChI=1S/C5H5Cl/c1-2-3-4-5-6/h4-5H,1H3InChIKey=QFKNVILLFUFTEC-UHFFFAOYSA-N108.9Ex 108.88(BP est) -23.10(MP est) ----(BP exp) ----(MP exp) CC#CC=CCl -23.1PredN
ClC=CCC#C3915100.545C5H5Cl1-chloropent-1-en-4-yneN116ClC=CCC#CInChI=1S/C5H5Cl/c1-2-3-4-5-6/h1,4-5H,3H2InChIKey=RUXYWYRLFJIDEN-UHFFFAOYSA-N100.0Ex 99.98(BP est) -55.26(MP est) ----(BP exp) ----(MP exp) ClC=CCC#C -55.3PredN
CC=CC#CCl3916100.545C5H5Cl1-chloropent-3-en-1-yneN116CC=CC#CClInChI=1S/C5H5Cl/c1-2-3-4-5-6/h2-3H,1H3InChIKey=MLWCKIBMAYNROJ-UHFFFAOYSA-N108.9Ex 108.88(BP est) -23.10(MP est) ----(BP exp) ----(MP exp) CC=CC#CCl -23.1PredN
ClC1=CC12CC23917100.545C5H5Cl1-chlorospiro[2.2]pent-1-eneN116ClC1=CC12CC2InChI=1S/C5H5Cl/c6-4-3-5(4)1-2-5/h3H,1-2H2InChIKey=YYLZRGWKXMYBSI-UHFFFAOYSA-N85.3Ex 85.33(BP est) -40.07(MP est) ----(BP exp) ----(MP exp) ClC1=CC12CC2 -40.1PredN
C=C(C#C)CCl3918100.545C5H5Cl2-(chloromethyl)but-1-en-3-yneN116C=C(C#C)CClInChI=1S/C5H5Cl/c1-3-5(2)4-6/h1H,2,4H2InChIKey=YXMTUONRQORULM-UHFFFAOYSA-N112.4Ex 112.42(BP est) -56.95(MP est) ----(BP exp) ----(MP exp) C=C(C#C)CCl -57PredN
ClC1CC2=C1C23919100.545C5H5Cl2-chlorobicyclo[2.1.0]pent-1(4)-eneN116ClC1CC2=C1C2InChI=1S/C5H5Cl/c6-5-2-3-1-4(3)5/h5H,1-2H2InChIKey=ASTRFVIDBRKDEJ-UHFFFAOYSA-N111.2Ex 111.22(BP est) -38.21(MP est) ----(BP exp) ----(MP exp) ClC1CC2=C1C2 -38.2PredN
ClC1CC2=CC213920100.545C5H5Cl2-chlorobicyclo[2.1.0]pent-4-eneN116ClC1CC2=CC21InChI=1S/C5H5Cl/c6-5-2-3-1-4(3)5/h1,4-5H,2H2InChIKey=VWJQJEMAFARFRO-UHFFFAOYSA-N106.4Ex 106.38(BP est) -48.00(MP est) ----(BP exp) ----(MP exp) ClC1CC2=CC21 -48PredN
ClC1=CCC=C13921100.545C5H5Cl2-chlorocyclopenta-1,3-dieneN116ClC1=CCC=C1InChI=1S/C5H5Cl/c6-5-3-1-2-4-5/h1,3-4H,2H2InChIKey=LJEOEPPSGGLCKY-UHFFFAOYSA-N103.8Ex 103.83(BP est) -60.49(MP est) ----(BP exp) ----(MP exp) ClC1=CCC=C1 -60.5PredN
CC#CC(Cl)=C3922100.545C5H5Cl2-chloropent-1-en-3-yneN116CC#CC(Cl)=CInChI=1S/C5H5Cl/c1-3-4-5(2)6/h2H2,1H3InChIKey=NWIXYWJNRRKIAB-UHFFFAOYSA-N93.2Ex 93.16(BP est) -33.01(MP est) ----(BP exp) ----(MP exp) CC#CC(Cl)=C -33PredN
ClC(CC#C)=C3923100.545C5H5Cl2-chloropent-1-en-4-yneN116ClC(CC#C)=CInChI=1S/C5H5Cl/c1-3-4-5(2)6/h1H,2,4H2InChIKey=KAOLEPUYRSEOPO-UHFFFAOYSA-N84.0Ex 84.03(BP est) -65.24(MP est) ----(BP exp) ----(MP exp) ClC(CC#C)=C -65.2PredN
ClC(C1C=C1)=C3924100.545C5H5Cl3-(1-chlorovinyl)cycloprop-1-eneN116ClC(C1C=C1)=CInChI=1S/C5H5Cl/c1-4(6)5-2-3-5/h2-3,5H,1H2InChIKey=MHYHYEUYEZQYFT-UHFFFAOYSA-N82.8Ex 82.81(BP est) -79.73(MP est) ----(BP exp) ----(MP exp) ClC(C1C=C1)=C -79.7PredN
ClC=CC1C=C13925100.545C5H5Cl3-(2-chlorovinyl)cycloprop-1-eneN116ClC=CC1C=C1InChI=1S/C5H5Cl/c6-4-3-5-1-2-5/h1-5HInChIKey=IWZVKOVREAGHKZ-UHFFFAOYSA-N98.8Ex 98.79(BP est) -69.75(MP est) ----(BP exp) ----(MP exp) ClC=CC1C=C1 -69.8PredN
ClC=C1CC=C13926100.545C5H5Cl3-(chloromethylene)cyclobut-1-eneN116ClC=C1CC=C1InChI=1S/C5H5Cl/c6-4-5-2-1-3-5/h1-2,4H,3H2InChIKey=YWJLXZJVOUJBEX-UHFFFAOYSA-N103.8Ex 103.76(BP est) -60.21(MP est) ----(BP exp) ----(MP exp) ClC=C1CC=C1 -60.2PredN
C=CC1=CC1Cl3927100.545C5H5Cl3-chloro-1-vinylcycloprop-1-eneN116C=CC1=CC1ClInChI=1S/C5H5Cl/c1-2-4-3-5(4)6/h2-3,5H,1H2InChIKey=HLYWOYUEZSNUCL-UHFFFAOYSA-N102.7Ex 102.73(BP est) -60.67(MP est) ----(BP exp) ----(MP exp) C=CC1=CC1Cl -60.7PredN
ClC1(C=C)C=C13928100.545C5H5Cl3-chloro-3-vinylcycloprop-1-eneN116ClC1(C=C)C=C1InChI=1S/C5H5Cl/c1-2-5(6)3-4-5/h2-4H,1H2InChIKey=FJIQDNNXYPSBMA-UHFFFAOYSA-N78.7Ex 78.70(BP est) -62.00(MP est) ----(BP exp) ----(MP exp) ClC1(C=C)C=C1 -62PredN
C=C1C(Cl)C=C13929100.545C5H5Cl3-chloro-4-methylenecyclobut-1-eneN116C=C1C(Cl)C=C1InChI=1S/C5H5Cl/c1-4-2-3-5(4)6/h2-3,5H,1H2InChIKey=FDFPDASAVBJUDT-UHFFFAOYSA-N102.8Ex 102.81(BP est) -60.95(MP est) ----(BP exp) ----(MP exp) C=C1C(Cl)C=C1 -61PredN
ClC1C2=CC2C13930100.545C5H5Cl3-chlorobicyclo[2.1.0]pent-4-eneN116ClC1C2=CC2C1InChI=1S/C5H5Cl/c6-5-2-3-1-4(3)5/h1,3,5H,2H2InChIKey=MXMLRYXMNBSNAR-UHFFFAOYSA-N106.4Ex 106.38(BP est) -48.00(MP est) ----(BP exp) ----(MP exp) ClC1C2=CC2C1 -48PredN
ClC(C#C)C=C3931100.545C5H5Cl3-chloropent-1-en-4-yneN116ClC(C#C)C=CInChI=1S/C5H5Cl/c1-3-5(6)4-2/h1,4-5H,2H2InChIKey=GFRCGIQOGYQXIM-UHFFFAOYSA-N91.5Ex 91.45(BP est) -63.59(MP est) ----(BP exp) ----(MP exp) ClC(C#C)C=C -63.6PredN
CC=C(C#C)Cl3932100.545C5H5Cl3-chloropent-3-en-1-yneN116CC=C(C#C)ClInChI=1S/C5H5Cl/c1-3-5(6)4-2/h1,4H,2H3InChIKey=RDVRQKXBLKBUAE-UHFFFAOYSA-N93.4Ex 93.39(BP est) -64.17(MP est) ----(BP exp) ----(MP exp) CC=C(C#C)Cl -64.2PredN
C=C(C#CCl)C3933100.545C5H5Cl4-chloro-2-methylbut-1-en-3-yneN116C=C(C#CCl)CInChI=1S/C5H5Cl/c1-5(2)3-4-6/h1H2,2H3InChIKey=NXHYGCKJRMCPLK-UHFFFAOYSA-N93.2Ex 93.16(BP est) -33.01(MP est) ----(BP exp) ----(MP exp) C=C(C#CCl)C -33PredN
ClC(C)=CC#C3934100.545C5H5Cl4-chloropent-3-en-1-yneN116ClC(C)=CC#CInChI=1S/C5H5Cl/c1-3-4-5(2)6/h1,4H,2H3InChIKey=RVQRSXBCMLIKCQ-UHFFFAOYSA-N93.4Ex 93.39(BP est) -64.17(MP est) ----(BP exp) ----(MP exp) ClC(C)=CC#C -64.2PredN
ClC1C2(C1)C=C23935100.545C5H5Cl4-chlorospiro[2.2]pent-1-eneN116ClC1C2(C1)C=C2InChI=1S/C5H5Cl/c6-4-3-5(4)1-2-5/h1-2,4H,3H2InChIKey=AJCZRUKSRZVKJD-UHFFFAOYSA-N95.8Ex 95.79(BP est) -45.40(MP est) ----(BP exp) ----(MP exp) ClC1C2(C1)C=C2 -45.4PredN
ClC1C2=C1CC23936100.545C5H5Cl5-chlorobicyclo[2.1.0]pent-1(4)-eneN116ClC1C2=C1CC2InChI=1S/C5H5Cl/c6-5-3-1-2-4(3)5/h5H,1-2H2InChIKey=OUUVHWPCPSXOPK-UHFFFAOYSA-N111.2Ex 111.22(BP est) -38.21(MP est) ----(BP exp) ----(MP exp) ClC1C2=C1CC2 -38.2PredN
ClC1=C2CCC123937100.545C5H5Cl5-chlorobicyclo[2.1.0]pent-4-eneN116ClC1=C2CCC12InChI=1S/C5H5Cl/c6-5-3-1-2-4(3)5/h3H,1-2H2InChIKey=USGBKWJZCMIXKX-UHFFFAOYSA-N96.1Ex 96.10(BP est) -42.62(MP est) ----(BP exp) ----(MP exp) ClC1=C2CCC12 -42.6PredN
ClC1C=CC=C13938100.545C5H5Cl5-chlorocyclopenta-1,3-dieneN116ClC1C=CC=C1InChI=1S/C5H5Cl/c6-5-3-1-2-4-5/h1-5HInChIKey=GWHRPSOIZQENQQ-UHFFFAOYSA-N114.0Ex 114.00(BP est) -65.90(MP est) ----(BP exp) ----(MP exp) ClC1C=CC=C1 -65.9PredN
ClCC#CC=C3939100.545C5H5Cl5-chloropent-1-en-3-yneN116ClCC#CC=CInChI=1S/C5H5Cl/c1-2-3-4-5-6/h2H,1,5H2InChIKey=XWYUWITVEYUAOO-UHFFFAOYSA-N127.5Ex 127.45(BP est) -16.02(MP est) ----(BP exp) ----(MP exp) ClCC#CC=C -16PredN
C=CCC#CCl3940100.545C5H5Cl5-chloropent-1-en-4-yneN116C=CCC#CClInChI=1S/C5H5Cl/c1-2-3-4-5-6/h2H,1,3H2InChIKey=LZIHURFNHCXXNI-UHFFFAOYSA-N99.8Ex 99.75(BP est) -24.10(MP est) ----(BP exp) ----(MP exp) C=CCC#CCl -24.1PredN
ClCC=CC#C3941100.545C5H5Cl5-chloropent-3-en-1-yneN116ClCC=CC#CInChI=1S/C5H5Cl/c1-2-3-4-5-6/h1,3-4H,5H2InChIKey=VOZKLWSSYZOVHV-UHFFFAOYSA-N127.7Ex 127.67(BP est) -47.18(MP est) ----(BP exp) ----(MP exp) ClCC=CC#C -47.2PredN
OC(Cl)Cl3944100.926CH2Cl2OdichloromethanolN64OC(Cl)ClInChI=1S/CH2Cl2O/c2-1(3)4/h1,4HInChIKey=GJYVZUKSNFSLCL-UHFFFAOYSA-N121.8Ex 121.82(BP est) -54.50(MP est) ----(BP exp) ----(MP exp) OC(Cl)Cl -54.5PredN
NOC(F)(F)F3945101.028CH2F3NOO-(trifluoromethyl)hydroxylamineN86NOC(F)(F)FInChI=1S/CH2F3NO/c2-1(3,4)6-5/h5H2InChIKey=OTTPWWFPWBCJBS-UHFFFAOYSA-N19.2Ex 19.17(BP est) -82.46(MP est) ----(BP exp) ----(MP exp) NOC(F)(F)F -82.5PredN
N\1=C\C=C/OS/13946101.123C3H3NOS1,2,3-oxathiazineN96N\1=C\C=C/OS/1InChI=1S/C3H3NOS/c1-2-4-6-5-3-1/h1-3HInChIKey=AZHVQJLDOFKHPZ-UHFFFAOYSA-N157.4Ex 157.36(BP est) 8.67(MP est) ----(BP exp) ----(MP exp) N\1=C\C=C/OS/1 8.7PredN
S=C=NC(C)=O3947101.123C3H3NOSacetyl isothiocyanateN96S=C=NC(C)=OInChI=1S/C3H3NOS/c1-3(5)4-2-6/h1H3InChIKey=VITFJKNVGRZRKB-UHFFFAOYSA-N193.2Ex 193.19(BP est) 24.84(MP est) ----(BP exp) ----(MP exp) S=C=NC(C)=O 24.8PredN
OC1=NSC=C13948101.123C3H3NOSisothiazol-3-olN96OC1=NSC=C1InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)InChIKey=MGIYRDNGCNKGJU-UHFFFAOYSA-N190.0Ex 190.03(BP est) 29.92(MP est) ----(BP exp) ----(MP exp) OC1=NSC=C1 29.9PredN
O=C1/C=N\SC13949101.123C3H3NOSisothiazol-4(5H)-oneN96O=C1/C=N\SC1InChI=1S/C3H3NOS/c5-3-1-4-6-2-3/h1H,2H2InChIKey=VUWCWMOCWKCZTA-UHFFFAOYSA-N185.5Ex 185.46(BP est) 16.85(MP est) ----(BP exp) ----(MP exp) O=C1/C=N\SC1 16.9PredN
S=C\1ON/C=C/13950101.123C3H3NOSisoxazole-5(2H)-thioneN96S=C\1ON/C=C/1InChI=1S/C3H3NOS/c6-3-1-2-4-5-3/h1-2,4HInChIKey=HRJTXWHFQYANII-UHFFFAOYSA-N242.6Ex 242.61(BP est) 45.39(MP est) ----(BP exp) ----(MP exp) S=C\1ON/C=C/1 45.4PredN
SC1=NC=CO13951101.123C3H3NOSoxazole-2-thiolN96SC1=NC=CO1InChI=1S/C3H3NOS/c6-3-4-1-2-5-3/h1-2H,(H,4,6)InChIKey=CLEJZSNZYFJMKD-UHFFFAOYSA-N148.8Ex 148.83(BP est) -6.30(MP est) ----(BP exp) ----(MP exp) SC1=NC=CO1 -6.3PredN
Sc1ncoc13952101.123C3H3NOSoxazole-4-thiolN96Sc1ncoc1InChI=1S/C3H3NOS/c6-3-1-5-2-4-3/h1-2,6HInChIKey=YSMPHGFIYKJCBK-UHFFFAOYSA-N148.8Ex 148.83(BP est) -6.30(MP est) ----(BP exp) ----(MP exp) Sc1ncoc1 -6.3PredN
OC1=NC=CS13953101.123C3H3NOSthiazol-2-olN96OC1=NC=CS1InChI=1S/C3H3NOS/c5-3-4-1-2-6-3/h1-2H,(H,4,5)InChIKey=CZWWCTHQXBMHDA-UHFFFAOYSA-N190.0Ex 190.03(BP est) 29.92(MP est) ----(BP exp) ----(MP exp) OC1=NC=CS1 29.9PredN
c1c(ncs1)O3954101.123C3H3NOSthiazol-4-olN96c1c(ncs1)OInChI=1S/C3H3NOS/c5-3-1-6-2-4-3/h1-2,5HInChIKey=SYXIINHHRQQNGK-UHFFFAOYSA-N190.0Ex 190.03(BP est) 29.92(MP est) ----(BP exp) ----(MP exp) c1c(ncs1)O 29.9PredN
Oc1cncs13955101.123C3H3NOSthiazol-5-olN96Oc1cncs1InChI=1S/C3H3NOS/c5-3-1-4-2-6-3/h1-2,5HInChIKey=MLPAIIATLGUTEE-UHFFFAOYSA-N190.0Ex 190.03(BP est) 29.92(MP est) ----(BP exp) ----(MP exp) Oc1cncs1 29.9PredN
O=S/1/C=C\N=C\13956101.123C3H3NOSthiazole 1-oxideN96O=S/1/C=C\N=C\1InChI=1S/C3H3NOS/c5-6-2-1-4-3-6/h1-3HInChIKey=IHDKBHLTKNUCCW-UHFFFAOYSA-N202.4Ex 202.43(BP est) 23.33(MP est) ----(BP exp) ----(MP exp) O=S/1/C=C\N=C\1 23.3PredN
NC1=CSN=N13957101.127C2H3N3S1,2,3-thiadiazol-4-amineN96NC1=CSN=N1InChI=1S/C2H3N3S/c3-2-1-6-5-4-2/h1H,3H2InChIKey=CUWHXIJMTMMRTI-UHFFFAOYSA-N254.1Ex 254.14(BP est) 69.07(MP est) ----(BP exp) ----(MP exp) NC1=CSN=N1 69.1PredN
NC1=CN=NS13958101.127C2H3N3S1,2,3-thiadiazol-5-amineN96NC1=CN=NS1InChI=1S/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2InChIKey=PVGHNTXQMCYYGF-UHFFFAOYSA-N254.1Ex 254.14(BP est) 69.07(MP est) ----(BP exp) ----(MP exp) NC1=CN=NS1 69.1PredN
NC1=NSC=N13959101.127C2H3N3S1,2,4-thiadiazol-3-amineN96NC1=NSC=N1InChI=1S/C2H3N3S/c3-2-4-1-6-5-2/h1H,(H2,3,5)InChIKey=WGCAJRHEDWDNDN-UHFFFAOYSA-N212.6Ex 212.57(BP est) 50.87(MP est) ----(BP exp) ----(MP exp) NC1=NSC=N1 50.9PredN
NC1=NC=NS13960101.127C2H3N3S1,2,4-thiadiazol-5-amineN96NC1=NC=NS1InChI=1S/C2H3N3S/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)InChIKey=VJHTZTZXOKVQRN-UHFFFAOYSA-N212.6Ex 212.57(BP est) 50.87(MP est) ----(BP exp) ----(MP exp) NC1=NC=NS1 50.9PredN
NC1=NSN=C13961101.127C2H3N3S1,2,5-thiadiazol-3-amineN96NC1=NSN=C1InChI=1S/C2H3N3S/c3-2-1-4-6-5-2/h1H,(H2,3,5)InChIKey=XIWSFHMGJRJKJR-UHFFFAOYSA-N212.6Ex 212.57(BP est) 50.87(MP est) ----(BP exp) ----(MP exp) NC1=NSN=C1 50.9PredN
NC1=NN=CS13962101.127C2H3N3S1,3,4-thiadiazol-2-amineN96NC1=NN=CS1InChI=1S/C2H3N3S/c3-2-5-4-1-6-2/h1H,(H2,3,5)InChIKey=QUKGLNCXGVWCJX-UHFFFAOYSA-N254.1Ex 254.14(BP est) 69.07(MP est) ----(BP exp) 190.00(MP exp) NC1=NN=CS1 190ExptN
S=C/1CN\N=N\13963101.127C2H3N3S1,5-dihydro-4H-1,2,3-triazole-4-thioneN96S=C/1CN\N=N\1InChI=1S/C2H3N3S/c6-2-1-3-5-4-2/h1H2,(H,3,4,6)InChIKey=BDAOOMQRIMJBNH-UHFFFAOYSA-N304.9Ex 304.86(BP est) 94.61(MP est) ----(BP exp) ----(MP exp) S=C/1CN\N=N\1 94.6PredN
SC1=NNC=N13964101.127C2H3N3S1H-1,2,4-triazole-3-thiolN96SC1=NNC=N1InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)InChIKey=AFBBKYQYNPNMAT-UHFFFAOYSA-N251.8Ex 251.80(BP est) 54.97(MP est) ----(BP exp) ----(MP exp) SC1=NNC=N1 55PredN
Sn1nccn13965101.127C2H3N3S2H-1,2,3-triazole-2-thiolN96Sn1nccn1InChI=1S/C2H3N3S/c6-5-3-1-2-4-5/h1-2,6HInChIKey=NRENOZNSHMLGOF-UHFFFAOYSA-N179.0Ex 178.98(BP est) 15.86(MP est) ----(BP exp) ----(MP exp) Sn1nccn1 15.9PredN
SC\1\N=C/N=N/13966101.127C2H3N3S3H-1,2,4-triazole-3-thiolN96SC\1\N=C/N=N/1InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1-2,6HInChIKey=LWTBRSFQICXXNR-UHFFFAOYSA-N185.7Ex 185.67(BP est) 21.72(MP est) ----(BP exp) ----(MP exp) SC\1\N=C/N=N/1 21.7PredN
S=C1/N=N\CN13967101.127C2H3N3S4,5-dihydro-3H-1,2,4-triazole-3-thioneN96S=C1/N=N\CN1InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H2,(H,3,6)InChIKey=CAEQSGPURHVZNG-UHFFFAOYSA-N260.2Ex 260.21(BP est) 75.06(MP est) ----(BP exp) ----(MP exp) S=C1/N=N\CN1 75.1PredN
S=C=NCCC3968101.167C4H7NS1-isothiocyanatopropaneN136S=C=NCCCInChI=1S/C4H7NS/c1-2-3-5-4-6/h2-3H2,1H3InChIKey=KKASGUHLXWAKEZ-UHFFFAOYSA-N153.0Ex 137.53(BP est) -38.29(MP est) 153.00(BP exp) ----(MP exp) S=C=NCCC -38.3PredY(The Good Scents Company)
CCCSC#N3969101.167C4H7NS1-thiocyanatopropaneN136CCCSC#NInChI=1S/C4H7NS/c1-2-3-6-4-5/h2-3H2,1H3InChIKey=VDQRHYCVPYJPHU-UHFFFAOYSA-N183.1Ex 183.10(BP est) -22.84(MP est) ----(BP exp) ----(MP exp) CCCSC#N -22.8PredN
CCSCC#N3970101.167C4H7NS2-(ethylthio)acetonitrileN136CCSCC#NInChI=1S/C4H7NS/c1-2-6-4-3-5/h2,4H2,1H3InChIKey=VWWGZUJJFSTWTN-UHFFFAOYSA-N95.0Ex 183.10(BP est) -22.84(MP est) ----(BP exp) ----(MP exp) CCSCC#N -22.8PredN
S=C=NC(C)C3971101.167C4H7NS2-isothiocyanatopropaneN136S=C=NC(C)CInChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3InChIKey=VHBFEIBMZHEWSX-UHFFFAOYSA-N123.8Ex 123.76(BP est) -49.81(MP est) ----(BP exp) ----(MP exp) S=C=NC(C)C -49.8PredY(Irwin et al. 2012, DNP 2017)
CC1=NCCS13972101.167C4H7NS2-methyl-4,5-dihydrothiazoleN136CC1=NCCS1InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3InChIKey=JUIQOABNSLTJSW-UHFFFAOYSA-N144.8Ex 144.62(BP est) 4.93(MP est) 145.00(BP exp) -101.00(MP exp) CC1=NCCS1 -101ExptY(DNP 2017)
C=C1SCCN13973101.167C4H7NS2-methylenethiazolidineN136C=C1SCCN1InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h5H,1-3H2InChIKey=LCOMNAFIWZCSND-UHFFFAOYSA-N159.5Ex 159.52(BP est) 26.23(MP est) ----(BP exp) ----(MP exp) C=C1SCCN1 26.2PredN
CC(C)SC#N3974101.167C4H7NS2-thiocyanatopropaneN136CC(C)SC#NInChI=1S/C4H7NS/c1-4(2)6-3-5/h4H,1-2H3InChIKey=CUABTFPYLQSPAE-UHFFFAOYSA-N150.0Ex 170.48(BP est) -34.02(MP est) ----(BP exp) ----(MP exp) CC(C)SC#N -34PredN
N#CCCSC3975101.167C4H7NS3-(methylthio)propanenitrileN136N#CCCSCInChI=1S/C4H7NS/c1-6-4-2-3-5/h2,4H2,1H3InChIKey=INDWVHABTMSBCJ-UHFFFAOYSA-N183.1Ex 183.10(BP est) -22.84(MP est) ----(BP exp) ----(MP exp) N#CCCSC -22.8PredN
NC1=CCCS13976101.167C4H7NS4,5-dihydrothiophen-2-amineN136NC1=CCCS1InChI=1S/C4H7NS/c5-4-2-1-3-6-4/h2H,1,3,5H2InChIKey=MCQHSKFXMRIMJX-UHFFFAOYSA-N166.7Ex 166.69(BP est) 17.24(MP est) ----(BP exp) ----(MP exp) NC1=CCCS1 17.2PredN
SCCCC#N3977101.167C4H7NS4-mercaptobutanenitrileN136SCCCC#NInChI=1S/C4H7NS/c5-3-1-2-4-6/h6H,1-2,4H2InChIKey=KEDMCNJBFNYBLK-UHFFFAOYSA-N195.3Ex 195.34(BP est) -18.24(MP est) ----(BP exp) ----(MP exp) SCCCC#N -18.2PredN
CC1=NCSC13978101.167C4H7NS4-methyl-2,5-dihydrothiazoleN136CC1=NCSC1InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2-3H2,1H3InChIKey=DTYOLYPNFSSEGO-UHFFFAOYSA-N144.6Ex 144.62(BP est) 4.93(MP est) ----(BP exp) ----(MP exp) CC1=NCSC1 4.9PredY(DNP 2017)
S=C(C1CC1)N3979101.167C4H7NScyclopropanecarbothioamideN136S=C(C1CC1)NInChI=1S/C4H7NS/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)InChIKey=IIPJWNFOLPDTEQ-UHFFFAOYSA-N169.0Ex 169.01(BP est) 13.32(MP est) ----(BP exp) ----(MP exp) S=C(C1CC1)N 13.3PredN
S=C1NCCC13980101.167C4H7NSpyrrolidine-2-thioneN136S=C1NCCC1InChI=1S/C4H7NS/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)InChIKey=IMWUREPEYPRYOR-UHFFFAOYSA-N235.4Ex 235.37(BP est) 37.21(MP est) ----(BP exp) ----(MP exp) S=C1NCCC1 37.2PredN
NC(Cl)(F)(F)3981101.481CH2ClF2NchlorodifluoromethanamineN75NC(Cl)(F)(F)InChI=1S/CH2ClF2N/c2-1(3,4)5/h5H2InChIKey=FAYLJMGHXDUBKS-UHFFFAOYSA-N31.2Ex 31.22(BP est) -75.39(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(F) -75.4PredN
ClC(C1=CN1)=C3982101.533C4H4ClN2-(1-chlorovinyl)-1H-azirineN106ClC(C1=CN1)=CInChI=1S/C4H4ClN/c1-3(5)4-2-6-4/h2,6H,1H2InChIKey=FFXNUCTUZASAMB-UHFFFAOYSA-N126.1Ex 126.12(BP est) -11.82(MP est) ----(BP exp) ----(MP exp) ClC(C1=CN1)=C -11.8PredN
ClC=CC1=CN13983101.533C4H4ClN2-(2-chlorovinyl)-1H-azirineN106ClC=CC1=CN1InChI=1S/C4H4ClN/c5-2-1-4-3-6-4/h1-3,6HInChIKey=MFZGVRVZFBEWEG-UHFFFAOYSA-N141.0Ex 141.02(BP est) -2.15(MP est) ----(BP exp) ----(MP exp) ClC=CC1=CN1 -2.2PredN
ClC#CC1CN13984101.533C4H4ClN2-(chloroethynyl)aziridineN106ClC#CC1CN1InChI=1S/C4H4ClN/c5-2-1-4-3-6-4/h4,6H,3H2InChIKey=HYEDTYRDMAGEJL-UHFFFAOYSA-N142.8Ex 142.84(BP est) 7.47(MP est) ----(BP exp) ----(MP exp) ClC#CC1CN1 7.5PredN
ClC1(C#C)CN13985101.533C4H4ClN2-chloro-2-ethynylaziridineN106ClC1(C#C)CN1InChI=1S/C4H4ClN/c1-2-4(5)3-6-4/h1,6H,3H2InChIKey=JCUXDQQWWYUUTG-UHFFFAOYSA-N124.4Ex 124.38(BP est) 22.20(MP est) ----(BP exp) ----(MP exp) ClC1(C#C)CN1 22.2PredN
ClC1C(C#C)N13986101.533C4H4ClN2-chloro-3-ethynylaziridineN106ClC1C(C#C)N1InChI=1S/C4H4ClN/c1-2-3-4(5)6-3/h1,3-4,6HInChIKey=DUKFOSFDCQGKFT-UHFFFAOYSA-N142.2Ex 142.16(BP est) 13.32(MP est) ----(BP exp) ----(MP exp) ClC1C(C#C)N1 13.3PredN
ClC(N1)=C1C=C3987101.533C4H4ClN2-chloro-3-vinyl-1H-azirineN106ClC(N1)=C1C=CInChI=1S/C4H4ClN/c1-2-3-4(5)6-3/h2,6H,1H2InChIKey=ABWWJAJBIJVROD-UHFFFAOYSA-N130.4Ex 130.41(BP est) 2.67(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1C=C 2.7PredN
ClC1CC2=C1N23988101.533C4H4ClN2-chloro-5-azabicyclo[2.1.0]pent-1(4)-eneN106ClC1CC2=C1N2InChI=1S/C4H4ClN/c5-2-1-3-4(2)6-3/h2,6H,1H2InChIKey=MHCVGYREUWEMHK-UHFFFAOYSA-N148.1Ex 148.10(BP est) 19.44(MP est) ----(BP exp) ----(MP exp) ClC1CC2=C1N2 19.4PredN
PC(F)(F)F3998101.996CH2F3P(trifluoromethyl)phosphaneN75PC(F)(F)FInChI=1S/CH2F3P/c2-1(3,4)5/h5H2InChIKey=QQAHNNMLPUNNNJ-UHFFFAOYSA-N-26.5Ex -12.57(BP est) -128.78(MP est) ----(BP exp) ----(MP exp) PC(F)(F)F -128.8PredN
C(F)(C(F)(F)F)3999102.032C2H2F41,1,1,2-tetrafluoroethaneN86C(F)(C(F)(F)F)InChI=1S/C2H2F4/c3-1-2(4,5)6/h1H2InChIKey=LVGUZGTVOIAKKC-UHFFFAOYSA-N-26.5Ex -53.60(BP est) -150.52(MP est) -26.00(BP exp) -101.00(MP exp) C(F)(C(F)(F)F) -101ExptN
C(F)(F)(C(F)F)4000102.032C2H2F41,1,2,2-tetrafluoroethaneN86C(F)(F)(C(F)F)InChI=1S/C2H2F4/c3-1(4)2(5)6/h1-2HInChIKey=WXGNWUVNYMJENI-UHFFFAOYSA-N-22.2Ex -59.65(BP est) -168.50(MP est) -19.90(BP exp) -89.00(MP exp) C(F)(F)(C(F)F) -89ExptN
C=CPC#CF4001102.048C4H4FP(fluoroethynyl)(vinyl)phosphaneN106C=CPC#CFInChI=1S/C4H4FP/c1-2-6-4-3-5/h2,6H,1H2InChIKey=MVYZPCLFICLQCP-UHFFFAOYSA-N82.0Ex 82.01(BP est) -42.08(MP est) ----(BP exp) ----(MP exp) C=CPC#CF -42.1PredN
FC#CP1CC14002102.048C4H4FP1-(fluoroethynyl)phosphiraneN106FC#CP1CC1InChI=1S/C4H4FP/c5-1-2-6-3-4-6/h3-4H2InChIKey=ORTHKDDORCVYBU-UHFFFAOYSA-N93.8Ex 93.84(BP est) -25.59(MP est) ----(BP exp) ----(MP exp) FC#CP1CC1 -25.6PredN
C#CP1C(F)C14003102.048C4H4FP1-ethynyl-2-fluorophosphiraneN106C#CP1C(F)C1InChI=1S/C4H4FP/c1-2-6-3-4(6)5/h1,4H,3H2InChIKey=ZFRUBURPTMRHOZ-UHFFFAOYSA-N77.6Ex 77.55(BP est) -62.02(MP est) ----(BP exp) ----(MP exp) C#CP1C(F)C1 -62PredN
FC1=CC=CP14004102.048C4H4FP2-fluoro-1H-phospholeN106FC1=CC=CP1InChI=1S/C4H4FP/c5-4-2-1-3-6-4/h1-3,6HInChIKey=KETJDVMZPMRISS-UHFFFAOYSA-N84.0Ex 83.96(BP est) -77.33(MP est) ----(BP exp) ----(MP exp) FC1=CC=CP1 -77.3PredN
FC1=CPC=C14005102.048C4H4FP3-fluoro-1H-phospholeN106FC1=CPC=C1InChI=1S/C4H4FP/c5-4-1-2-6-3-4/h1-3,6HInChIKey=NWLOOCFPFQTATE-UHFFFAOYSA-N84.0Ex 83.96(BP est) -77.33(MP est) ----(BP exp) ----(MP exp) FC1=CPC=C1 -77.3PredN
FC(PC#C)=C4006102.048C4H4FPethynyl(1-fluorovinyl)phosphaneN106FC(PC#C)=CInChI=1S/C4H4FP/c1-3-6-4(2)5/h1,6H,2H2InChIKey=DXNYSKWLISSCRF-UHFFFAOYSA-N65.9Ex 65.87(BP est) -83.34(MP est) ----(BP exp) ----(MP exp) FC(PC#C)=C -83.3PredN
FC=CPC#C4007102.048C4H4FPethynyl(2-fluorovinyl)phosphaneN106FC=CPC#CInChI=1S/C4H4FP/c1-2-6-4-3-5/h1,3-4,6HInChIKey=PPUTYSUFBQKCHM-UHFFFAOYSA-N82.3Ex 82.25(BP est) -73.24(MP est) ----(BP exp) ----(MP exp) FC=CPC#C -73.2PredN
COP1C=CC14008102.073C4H7OP1-methoxy-1,2-dihydrophospheteN136COP1C=CC1InChI=1S/C4H7OP/c1-5-6-3-2-4-6/h2-3H,4H2,1H3InChIKey=DKPVREYGLWBOOF-UHFFFAOYSA-N104.4Ex 104.42(BP est) -66.11(MP est) ----(BP exp) ----(MP exp) COP1C=CC1 -66.1PredN
O=P1(C)C=CC14009102.073C4H7OP1-methyl-2H-phosphete 1-oxideN136O=P1(C)C=CC1InChI=1S/C4H7OP/c1-6(5)3-2-4-6/h2-3H,4H2,1H3InChIKey=NCJWGWFTFKEPTL-UHFFFAOYSA-N141.0Ex 141.03(BP est) -56.53(MP est) ----(BP exp) ----(MP exp) O=P1(C)C=CC1 -56.5PredN
O=P1(C=C)CC14010102.073C4H7OP1-vinylphosphirane 1-oxideN136O=P1(C=C)CC1InChI=1S/C4H7OP/c1-2-6(5)3-4-6/h2H,1,3-4H2InChIKey=QDDUVAHUWXDLTB-UHFFFAOYSA-N134.3Ex 134.32(BP est) -57.99(MP est) ----(BP exp) ----(MP exp) O=P1(C=C)CC1 -58PredN
O=P1C=CCC14012102.073C4H7OP2,3-dihydrophosphole 1-oxideN136O=P1C=CCC1InChI=1S/C4H7OP/c5-6-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=BNPJZQPPXJLGJR-UHFFFAOYSA-N145.2Ex 145.15(BP est) -48.90(MP est) ----(BP exp) ----(MP exp) O=P1C=CCC1 -48.9PredN
O=P(C=C)C=C4013102.073C4H7OPdivinylphosphine oxideN136O=P(C=C)C=CInChI=1S/C4H7OP/c1-3-6(5)4-2/h3-4,6H,1-2H2InChIKey=JHMHUNMDAIEPBV-UHFFFAOYSA-N126.3Ex 126.31(BP est) -65.88(MP est) ----(BP exp) ----(MP exp) O=P(C=C)C=C -65.9PredN
O=P(CC)C#C4015102.073C4H7OPethyl(ethynyl)phosphine oxideN136O=P(CC)C#CInChI=1S/C4H7OP/c1-3-6(5)4-2/h1,6H,4H2,2H3InChIKey=UFYJUBNAMVDQSN-UHFFFAOYSA-N137.7Ex 137.71(BP est) -37.30(MP est) ----(BP exp) ----(MP exp) O=P(CC)C#C -37.3PredN
CP(C#C)OC4016102.073C4H7OPethynyl(methoxy)(methyl)phosphaneN136CP(C#C)OCInChI=1S/C4H7OP/c1-4-6(3)5-2/h1H,2-3H3InChIKey=GQUZYXAVRDMWHF-UHFFFAOYSA-N98.7Ex 98.66(BP est) -55.77(MP est) ----(BP exp) ----(MP exp) CP(C#C)OC -55.8PredN
O=P(C#C)(C)C4017102.073C4H7OPethynyldimethylphosphine oxideN136O=P(C#C)(C)CInChI=1S/C4H7OP/c1-4-6(2,3)5/h1H,2-3H3InChIKey=MPVVLKLPNDVWFC-UHFFFAOYSA-N135.6Ex 135.62(BP est) -46.10(MP est) ----(BP exp) ----(MP exp) O=P(C#C)(C)C -46.1PredN
C#CCPOC4020102.073C4H7OPmethoxy(prop-2-yn-1-yl)phosphaneN136C#CCPOCInChI=1S/C4H7OP/c1-3-4-6-5-2/h1,6H,4H2,2H3InChIKey=SBPVXCUZRAIFGD-UHFFFAOYSA-N97.7Ex 97.69(BP est) -55.37(MP est) ----(BP exp) ----(MP exp) C#CCPOC -55.4PredN
O=P(C)CC#C4021102.073C4H7OPmethyl(prop-2-yn-1-yl)phosphine oxideN136O=P(C)CC#CInChI=1S/C4H7OP/c1-3-4-6(2)5/h1,6H,4H2,2H3InChIKey=HYALUHGIZFVESV-UHFFFAOYSA-N137.7Ex 137.71(BP est) -37.30(MP est) ----(BP exp) ----(MP exp) O=P(C)CC#C -37.3PredN
SC(F)(F)(F)4022102.074CHF3StrifluoromethanethiolN65SC(F)(F)(F)InChI=1S/CHF3S/c2-1(3,4)5/h5HInChIKey=MFLLMKMFWIUACU-UHFFFAOYSA-N-37.3Ex 13.11(BP est) -118.74(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(F) -118.7PredN
F[Si](F)(O)F4023102.087F3HOSitrifluorosilanolN65F[Si](F)(O)FInChI=1S/F3HOSi/c1-5(2,3)4/h4HInChIKey=IOYKOBPSEGXAHU-UHFFFAOYSA-N31.8Ex 492.84(BP est) 180.58(MP est) ----(BP exp) ----(MP exp) F[Si](F)(O)F 180.6PredN
S=C1O/C=C\O14024102.107C3H2O2S1,3-dioxole-2-thioneN86S=C1O/C=C\O1InChI=1S/C3H2O2S/c6-3-4-1-2-5-3/h1-2HInChIKey=MMGCXSBBWCOBEX-UHFFFAOYSA-N217.8Ex 217.80(BP est) 7.61(MP est) ----(BP exp) ----(MP exp) S=C1O/C=C\O1 7.6PredN
S=C1\N=C/NO14025102.111C2H2N2OS1,2,4-oxadiazole-5(2H)-thioneN86S=C1\N=C/NO1InChI=1S/C2H2N2OS/c6-2-3-1-4-5-2/h1H,(H,3,4,6)InChIKey=LYGLYFUBLZCHCT-UHFFFAOYSA-N339.7Ex 339.73(BP est) 103.28(MP est) ----(BP exp) ----(MP exp) S=C1\N=C/NO1 103.3PredN
O=C1\N=C/SN14026102.111C2H2N2OS1,2,4-thiadiazol-3(2H)-oneN86O=C1\N=C/SN1InChI=1S/C2H2N2OS/c5-2-3-1-6-4-2/h1H,(H,4,5)InChIKey=OGVWWGVZVJUPHF-UHFFFAOYSA-N249.5Ex 249.45(BP est) 66.84(MP est) ----(BP exp) ----(MP exp) O=C1\N=C/SN1 66.8PredN
O=C1\N=C/NS14027102.111C2H2N2OS1,2,4-thiadiazol-5(2H)-oneN86O=C1\N=C/NS1InChI=1S/C2H2N2OS/c5-2-3-1-4-6-2/h1H,(H,3,4,5)InChIKey=IGAVZWMNOPFOCW-UHFFFAOYSA-N336.4Ex 336.44(BP est) 115.32(MP est) ----(BP exp) ----(MP exp) O=C1\N=C/NS1 115.3PredN
OC1=NSN=C14028102.111C2H2N2OS1,2,5-thiadiazol-3-olN86OC1=NSN=C1InChI=1S/C2H2N2OS/c5-2-1-3-6-4-2/h1H,(H,4,5)InChIKey=MUHCEAIVGKVBHE-UHFFFAOYSA-N199.5Ex 199.47(BP est) 49.12(MP est) ----(BP exp) ----(MP exp) OC1=NSN=C1 49.1PredN
O=S/1/N=C\C=N\14029102.111C2H2N2OS1,2,5-thiadiazole 1-oxideN86O=S/1/N=C\C=N\1InChI=1S/C2H2N2OS/c5-6-3-1-2-4-6/h1-2HInChIKey=ZZGPYPVNEPAJHG-UHFFFAOYSA-N214.9Ex 214.92(BP est) 34.47(MP est) ----(BP exp) ----(MP exp) O=S/1/N=C\C=N\1 34.5PredN
SC1=NN=CO14030102.111C2H2N2OS1,3,4-oxadiazole-2-thiolN86SC1=NN=CO1InChI=1S/C2H2N2OS/c6-2-4-3-1-5-2/h1H,(H,4,6)InChIKey=RUBRCWOFANAOTP-UHFFFAOYSA-N206.0Ex 206.02(BP est) 29.23(MP est) ----(BP exp) ----(MP exp) SC1=NN=CO1 29.2PredN
OC1=NN=CS14031102.111C2H2N2OS1,3,4-thiadiazol-2-olN86OC1=NN=CS1InChI=1S/C2H2N2OS/c5-2-4-3-1-6-2/h1H,(H,4,5)InChIKey=OVZHELCFKSFINS-UHFFFAOYSA-N242.4Ex 242.41(BP est) 67.92(MP est) ----(BP exp) ----(MP exp) OC1=NN=CS1 67.9PredN
NC1=NN=NS14032102.115CH2N4S1,2,3,4-thiatriazol-5-amineN86NC1=NN=NS1InChI=1S/CH2N4S/c2-1-3-4-5-6-1/h(H2,2,3,5)InChIKey=NFSGFYBDMKUQJA-UHFFFAOYSA-N262.1Ex 262.13(BP est) 87.64(MP est) ----(BP exp) ----(MP exp) NC1=NN=NS1 87.6PredN
SC1=NN=NN14033102.115CH2N4S1H-tetrazole-5-thiolN86SC1=NN=NN1InChI=1S/CH2N4S/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)InChIKey=JAAIPIWKKXCNOC-UHFFFAOYSA-N259.9Ex 259.86(BP est) 73.56(MP est) ----(BP exp) ----(MP exp) SC1=NN=NN1 73.6PredN
SC/1/N=N\N=N\14034102.115CH2N4S5H-tetrazole-5-thiolN86SC/1/N=N\N=N\1InChI=1S/CH2N4S/c6-1-2-4-5-3-1/h1,6HInChIKey=AITMSAKVDTXWBP-UHFFFAOYSA-N198.7Ex 198.65(BP est) 42.47(MP est) ----(BP exp) ----(MP exp) SC/1/N=N\N=N\1 42.5PredN
CC1(CP)CC14035102.117C5H11P((1-methylcyclopropyl)methyl)phosphaneN176CC1(CP)CC1InChI=1S/C5H11P/c1-5(4-6)2-3-5/h2-4,6H2,1H3InChIKey=DISORCIMVLMTRL-UHFFFAOYSA-N100.4Ex 100.38(BP est) -54.44(MP est) ----(BP exp) ----(MP exp) CC1(CP)CC1 -54.4PredN
CC(P)C1CC14036102.117C5H11P(1-cyclopropylethyl)phosphaneN176CC(P)C1CC1InChI=1S/C5H11P/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3InChIKey=VLAYZDZWRLVUIY-UHFFFAOYSA-N98.6Ex 98.58(BP est) -74.42(MP est) ----(BP exp) ----(MP exp) CC(P)C1CC1 -74.4PredN
CCC1(P)CC14037102.117C5H11P(1-ethylcyclopropyl)phosphaneN176CCC1(P)CC1InChI=1S/C5H11P/c1-2-5(6)3-4-5/h2-4,6H2,1H3InChIKey=HVJJADMVWTZZGN-UHFFFAOYSA-N100.4Ex 100.38(BP est) -54.44(MP est) ----(BP exp) ----(MP exp) CCC1(P)CC1 -54.4PredN
CC1(P)CCC14038102.117C5H11P(1-methylcyclobutyl)phosphaneN176CC1(P)CCC1InChI=1S/C5H11P/c1-5(6)3-2-4-5/h2-4,6H2,1H3InChIKey=WGTNTVRSCDEVTM-UHFFFAOYSA-N102.6Ex 102.58(BP est) -55.56(MP est) ----(BP exp) ----(MP exp) CC1(P)CCC1 -55.6PredN
PCCC1CC14039102.117C5H11P(2-cyclopropylethyl)phosphaneN176PCCC1CC1InChI=1S/C5H11P/c6-4-3-5-1-2-5/h5H,1-4,6H2InChIKey=SZTURWFRNIFKOH-UHFFFAOYSA-N112.9Ex 112.93(BP est) -62.73(MP est) ----(BP exp) ----(MP exp) PCCC1CC1 -62.7PredN
CC(CP)C=C4040102.117C5H11P(2-methylbut-3-en-1-yl)phosphaneN176CC(CP)C=CInChI=1S/C5H11P/c1-3-5(2)4-6/h3,5H,1,4,6H2,2H3InChIKey=ZCIZOUYOGYFLBZ-UHFFFAOYSA-N92.7Ex 92.65(BP est) -86.00(MP est) ----(BP exp) ----(MP exp) CC(CP)C=C -86PredN
CC(C=C)(P)C4041102.117C5H11P(2-methylbut-3-en-2-yl)phosphaneN176CC(C=C)(P)CInChI=1S/C5H11P/c1-4-5(2,3)6/h4H,1,6H2,2-3H3InChIKey=JCRNVDLAUYNLHY-UHFFFAOYSA-N83.0Ex 82.95(BP est) -80.12(MP est) ----(BP exp) ----(MP exp) CC(C=C)(P)C -80.1PredN
CC1CCC1P4042102.117C5H11P(2-methylcyclobutyl)phosphaneN176CC1CCC1PInChI=1S/C5H11P/c1-4-2-3-5(4)6/h4-5H,2-3,6H2,1H3InChIKey=RGMZIMJZBXJEOM-UHFFFAOYSA-N108.3Ex 108.25(BP est) -67.98(MP est) ----(BP exp) ----(MP exp) CC1CCC1P -68PredN
PCC1CCC14043102.117C5H11P(cyclobutylmethyl)phosphaneN176PCC1CCC1InChI=1S/C5H11P/c6-4-5-2-1-3-5/h5H,1-4,6H2InChIKey=XGVSNOPGUGPUGA-UHFFFAOYSA-N115.1Ex 115.08(BP est) -63.86(MP est) ----(BP exp) ----(MP exp) PCC1CCC1 -63.9PredN
CPCC1CC14044102.117C5H11P(cyclopropylmethyl)(methyl)phosphaneN176CPCC1CC1InChI=1S/C5H11P/c1-6-4-5-2-3-5/h5-6H,2-4H2,1H3InChIKey=IBHQHEBZQHXLRE-UHFFFAOYSA-N92.4Ex 92.37(BP est) -76.92(MP est) ----(BP exp) ----(MP exp) CPCC1CC1 -76.9PredN
CCP1CCC14045102.117C5H11P1-ethylphosphetaneN176CCP1CCC1InChI=1S/C5H11P/c1-2-6-4-3-5-6/h2-5H2,1H3InChIKey=NKPYPPAVTFLXHD-UHFFFAOYSA-N100.3Ex 100.34(BP est) -73.16(MP est) ----(BP exp) ----(MP exp) CCP1CCC1 -73.2PredN
CP1CCCC14046102.117C5H11P1-methylphospholaneN176CP1CCCC1InChI=1S/C5H11P/c1-6-4-2-3-5-6/h2-5H2,1H3InChIKey=CDGZRUIQNOATAK-UHFFFAOYSA-N123.5Ex 102.54(BP est) -74.27(MP est) ----(BP exp) ----(MP exp) CP1CCCC1 -74.3PredN
CCCP1CC14047102.117C5H11P1-propylphosphiraneN176CCCP1CC1InChI=1S/C5H11P/c1-2-3-6-4-5-6/h2-5H2,1H3InChIKey=CESWNZOLEVLPOP-UHFFFAOYSA-N98.1Ex 98.14(BP est) -72.04(MP est) ----(BP exp) ----(MP exp) CCCP1CC1 -72PredN
CC1PCCC14048102.117C5H11P2-methylphospholaneN176CC1PCCC1InChI=1S/C5H11P/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3InChIKey=NYZMOSORJSZGJE-UHFFFAOYSA-N94.6Ex 94.60(BP est) -78.03(MP est) ----(BP exp) ----(MP exp) CC1PCCC1 -78PredN
CCPCC=C4049102.117C5H11Pallyl(ethyl)phosphaneN176CCPCC=CInChI=1S/C5H11P/c1-3-5-6-4-2/h3,6H,1,4-5H2,2H3InChIKey=AFCIUICIKJFTKF-UHFFFAOYSA-N86.4Ex 86.39(BP est) -88.51(MP est) ----(BP exp) ----(MP exp) CCPCC=C -88.5PredN
CP(CC=C)C4050102.117C5H11PallyldimethylphosphaneN176CP(CC=C)CInChI=1S/C5H11P/c1-4-5-6(2)3/h4H,1,5H2,2-3H3InChIKey=UJHXOBMBGUHTLX-UHFFFAOYSA-N87.4Ex 87.38(BP est) -88.91(MP est) ----(BP exp) ----(MP exp) CP(CC=C)C -88.9PredN
CPCCC=C4051102.117C5H11Pbut-3-en-1-yl(methyl)phosphaneN176CPCCC=CInChI=1S/C5H11P/c1-3-4-5-6-2/h3,6H,1,4-5H2,2H3InChIKey=ALRFOHVKJGPMGC-UHFFFAOYSA-N86.4Ex 86.39(BP est) -88.51(MP est) ----(BP exp) ----(MP exp) CPCCC=C -88.5PredN
CPC(C=C)C4052102.117C5H11Pbut-3-en-2-yl(methyl)phosphaneN176CPC(C=C)CInChI=1S/C5H11P/c1-4-5(2)6-3/h4-6H,1H2,2-3H3InChIKey=JAWXTIBMUQURIL-UHFFFAOYSA-N71.4Ex 71.44(BP est) -100.38(MP est) ----(BP exp) ----(MP exp) CPC(C=C)C -100.4PredN
CPC1CCC14053102.117C5H11Pcyclobutyl(methyl)phosphaneN176CPC1CCC1InChI=1S/C5H11P/c1-6-5-3-2-4-5/h5-6H,2-4H2,1H3InChIKey=RSEJIZQURXMXGA-UHFFFAOYSA-N94.6Ex 94.60(BP est) -78.03(MP est) ----(BP exp) ----(MP exp) CPC1CCC1 -78PredN
PC1CCCC14054102.117C5H11PcyclopentylphosphaneN176PC1CCCC1InChI=1S/C5H11P/c6-5-3-1-2-4-5/h5H,1-4,6H2InChIKey=DVIDIZXCFDHODG-UHFFFAOYSA-N117.2Ex 117.23(BP est) -65.00(MP est) ----(BP exp) ----(MP exp) PC1CCCC1 -65PredN
CCPC1CC14055102.117C5H11Pcyclopropyl(ethyl)phosphaneN176CCPC1CC1InChI=1S/C5H11P/c1-2-6-5-3-4-5/h5-6H,2-4H2,1H3InChIKey=CIEHQKHWBSRWSN-UHFFFAOYSA-N92.4Ex 92.37(BP est) -76.92(MP est) ----(BP exp) ----(MP exp) CCPC1CC1 -76.9PredN
CP(C1CC1)C4056102.117C5H11PcyclopropyldimethylphosphaneN176CP(C1CC1)CInChI=1S/C5H11P/c1-6(2)5-3-4-5/h5H,3-4H2,1-2H3InChIKey=DKOURVYRFUGIHC-UHFFFAOYSA-N93.4Ex 93.35(BP est) -77.32(MP est) ----(BP exp) ----(MP exp) CP(C1CC1)C -77.3PredN
CP(CC)C=C4057102.117C5H11Pethyl(methyl)(vinyl)phosphaneN176CP(CC)C=CInChI=1S/C5H11P/c1-4-6(3)5-2/h4H,1,5H2,2-3H3InChIKey=IBXHLCQBPCQZMT-UHFFFAOYSA-N87.4Ex 87.38(BP est) -88.91(MP est) ----(BP exp) ----(MP exp) CP(CC)C=C -88.9PredN
CPC1(CC1)C4058102.117C5H11Pmethyl(1-methylcyclopropyl)phosphaneN176CPC1(CC1)CInChI=1S/C5H11P/c1-5(6-2)3-4-5/h6H,3-4H2,1-2H3InChIKey=KHGYRGDMKMFXTK-UHFFFAOYSA-N79.4Ex 79.42(BP est) -68.75(MP est) ----(BP exp) ----(MP exp) CPC1(CC1)C -68.8PredN
CCC(P)C=C4059102.117C5H11Ppent-1-en-3-ylphosphaneN176CCC(P)C=CInChI=1S/C5H11P/c1-3-5(6)4-2/h3,5H,1,4,6H2,2H3InChIKey=VRJHCAKYMAQJRK-UHFFFAOYSA-N92.7Ex 92.65(BP est) -86.00(MP est) ----(BP exp) ----(MP exp) CCC(P)C=C -86PredN
C=CCCCP4060102.117C5H11Ppent-4-en-1-ylphosphaneN176C=CCCCPInChI=1S/C5H11P/c1-2-3-4-5-6/h2H,1,3-6H2InChIKey=KSSYIPBVOBEADP-UHFFFAOYSA-N107.1Ex 107.14(BP est) -74.27(MP est) ----(BP exp) ----(MP exp) C=CCCCP -74.3PredN
CC(P)CC=C4061102.117C5H11Ppent-4-en-2-ylphosphaneN176CC(P)CC=CInChI=1S/C5H11P/c1-3-4-5(2)6/h3,5H,1,4,6H2,2H3InChIKey=ZAICSQAQXWXMSJ-UHFFFAOYSA-N92.7Ex 92.65(BP est) -86.00(MP est) ----(BP exp) ----(MP exp) CC(P)CC=C -86PredN
C1CCCCP14062102.117C5H11PphosphinaneN176C1CCCCP1InChI=1S/C5H11P/c1-2-4-6-5-3-1/h6H,1-5H2InChIKey=VXTFGYMINLXJPW-UHFFFAOYSA-N103.8Ex 103.78(BP est) -74.99(MP est) ----(BP exp) ----(MP exp) C1CCCCP1 -75PredN
C=CPCCC4063102.117C5H11Ppropyl(vinyl)phosphaneN176C=CPCCCInChI=1S/C5H11P/c1-3-5-6-4-2/h4,6H,2-3,5H2,1H3InChIKey=IMRUVPJNKRUQDD-UHFFFAOYSA-N86.4Ex 86.39(BP est) -88.51(MP est) ----(BP exp) ----(MP exp) C=CPCCC -88.5PredN
FC(C1=CS1)=C4064102.126C4H3FS2-(1-fluorovinyl)thiireneN96FC(C1=CS1)=CInChI=1S/C4H3FS/c1-3(5)4-2-6-4/h2H,1H2InChIKey=APMTXKONJSNVJY-UHFFFAOYSA-N96.5Ex 96.47(BP est) -48.94(MP est) ----(BP exp) ----(MP exp) FC(C1=CS1)=C -48.9PredN
FC=CC1=CS14065102.126C4H3FS2-(2-fluorovinyl)thiireneN96FC=CC1=CS1InChI=1S/C4H3FS/c5-2-1-4-3-6-4/h1-3HInChIKey=FNSHJRQDYSKZAI-UHFFFAOYSA-N112.1Ex 112.11(BP est) -39.05(MP est) ----(BP exp) ----(MP exp) FC=CC1=CS1 -39.1PredN
FC#CC1CS14066102.126C4H3FS2-(fluoroethynyl)thiiraneN96FC#CC1CS1InChI=1S/C4H3FS/c5-2-1-4-3-6-4/h4H,3H2InChIKey=AQFLNLCNKVJPNA-UHFFFAOYSA-N114.0Ex 114.02(BP est) 8.34(MP est) ----(BP exp) ----(MP exp) FC#CC1CS1 8.3PredN
FC1(C#C)CS14067102.126C4H3FS2-ethynyl-2-fluorothiiraneN96FC1(C#C)CS1InChI=1S/C4H3FS/c1-2-4(5)3-6-4/h1H,3H2InChIKey=SNNICHIGMLNWFG-UHFFFAOYSA-N92.5Ex 92.48(BP est) -15.57(MP est) ----(BP exp) ----(MP exp) FC1(C#C)CS1 -15.6PredN
FC1C(C#C)S14068102.126C4H3FS2-ethynyl-3-fluorothiiraneN96FC1C(C#C)S1InChI=1S/C4H3FS/c1-2-3-4(5)6-3/h1,3-4HInChIKey=LQYOGOQVWFHDHU-UHFFFAOYSA-N98.2Ex 98.24(BP est) -27.96(MP est) ----(BP exp) ----(MP exp) FC1C(C#C)S1 -28PredN
FC(S1)=C1C=C4069102.126C4H3FS2-fluoro-3-vinylthiireneN96FC(S1)=C1C=CInChI=1S/C4H3FS/c1-2-3-4(5)6-3/h2H,1H2InChIKey=DPGUELCWMSAYFC-UHFFFAOYSA-N101.0Ex 100.97(BP est) -34.38(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1C=C -34.4PredN
FC1CC2=C1S24070102.126C4H3FS2-fluoro-5-thiabicyclo[2.1.0]pent-1(4)-eneN96FC1CC2=C1S2InChI=1S/C4H3FS/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=PXPOWJJSMSIUMP-UHFFFAOYSA-N104.6Ex 104.63(BP est) -21.70(MP est) ----(BP exp) ----(MP exp) FC1CC2=C1S2 -21.7PredN
SOC=1CCC=14071102.151C4H6OS(cyclobut-1-en-1-yloxy)sulfaneN126SOC=1CCC=1InChI=1S/C4H6OS/c6-5-4-2-1-3-4/h2,6H,1,3H2InChIKey=LIPAVQKZFAONNW-UHFFFAOYSA-N143.1Ex 143.09(BP est) -48.52(MP est) ----(BP exp) ----(MP exp) SOC=1CCC=1 -48.5PredN
O=S=CC1CC14072102.151C4H6OS(cyclopropylmethylene)-lambda4-sulfanoneN126O=S=CC1CC1InChI=1S/C4H6OS/c5-6-3-4-1-2-4/h3-4H,1-2H2InChIKey=QZJRCPWUBYYYAW-UHFFFAOYSA-N181.4Ex 181.39(BP est) -7.15(MP est) ----(BP exp) ----(MP exp) O=S=CC1CC1 -7.2PredN
C=CS(=O)C=C4073102.151C4H6OS(vinylsulfinyl)etheneN126C=CS(=O)C=CInChI=1S/C4H6OS/c1-3-6(5)4-2/h3-4H,1-2H2InChIKey=HQSMEHLVLOGBCK-UHFFFAOYSA-N169.5Ex 169.50(BP est) -28.26(MP est) ----(BP exp) ----(MP exp) C=CS(=O)C=C -28.3PredN
CC#CS(=O)C4074102.151C4H6OS1-(methylsulfinyl)prop-1-yneN126CC#CS(=O)CInChI=1S/C4H6OS/c1-3-4-6(2)5/h1-2H3InChIKey=UWCPCKWWKKFGMJ-UHFFFAOYSA-N187.7Ex 187.72(BP est) 19.89(MP est) ----(BP exp) ----(MP exp) CC#CS(=O)C 19.9PredN
CS(=O)C=C=C4075102.151C4H6OS1-(methylsulfinyl)propa-1,2-dieneN126CS(=O)C=C=CInChI=1S/C4H6OS/c1-3-4-6(2)5/h4H,1H2,2H3InChIKey=IYEZITJHCWRWME-UHFFFAOYSA-N172.8Ex 172.77(BP est) -23.17(MP est) ----(BP exp) ----(MP exp) CS(=O)C=C=C -23.2PredN
C\1=C\OCCS/14076102.151C4H6OS2,3-dihydro-1,4-oxathiineN126C\1=C\OCCS/1InChI=1S/C4H6OS/c1-3-6-4-2-5-1/h1,3H,2,4H2InChIKey=JCAIBTLLMPPCQU-UHFFFAOYSA-N140.3Ex 140.30(BP est) -26.83(MP est) ----(BP exp) ----(MP exp) C\1=C\OCCS/1 -26.8PredN
O=C\C=C\SC4077102.151C4H6OS3-(methylthio)acrylaldehydeN126O=C\C=C\SCInChI=1S/C4H6OS/c1-6-4-2-3-5/h2-4H,1H3InChIKey=GMTLWWYVRPTAIY-UHFFFAOYSA-N158.3Ex 158.32(BP est) -44.11(MP est) ----(BP exp) ----(MP exp) O=C\C=C\SC -44.1PredN
O=C1SCC1C4078102.151C4H6OS3-methylthietan-2-oneN126O=C1SCC1CInChI=1S/C4H6OS/c1-3-2-6-4(3)5/h3H,2H2,1H3InChIKey=KANHTMXMAWADED-UHFFFAOYSA-N161.2Ex 161.15(BP est) 1.10(MP est) ----(BP exp) ----(MP exp) O=C1SCC1C 1.1PredN
O=C1CC(C)S14079102.151C4H6OS4-methylthietan-2-oneN126O=C1CC(C)S1InChI=1S/C4H6OS/c1-3-2-4(5)6-3/h3H,2H2,1H3InChIKey=BMEXYBCYEVJGAA-UHFFFAOYSA-N161.2Ex 161.15(BP est) 1.10(MP est) ----(BP exp) ----(MP exp) O=C1CC(C)S1 1.1PredN
C\C=C\C(=O)S4080102.151C4H6OSbut-2-enethioic S-acidN126C\C=C\C(=O)SInChI=1S/C4H6OS/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)InChIKey=YTTALSLGBLXCOB-UHFFFAOYSA-N158.7Ex 158.72(BP est) -39.00(MP est) ----(BP exp) ----(MP exp) C\C=C\C(=O)S -39PredN
O=C(S)C1CC14081102.151C4H6OScyclopropanecarbothioic S-acidN126O=C(S)C1CC1InChI=1S/C4H6OS/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)InChIKey=RZVSTEQRCQKJIC-UHFFFAOYSA-N155.7Ex 155.72(BP est) -28.36(MP est) ----(BP exp) ----(MP exp) O=C(S)C1CC1 -28.4PredN
C1CC(=S)OC14082102.151C4H6OSdihydrofuran-2(3H)-thioneN126C1CC(=S)OC1InChI=1S/C4H6OS/c6-4-2-1-3-5-4/h1-3H2InChIKey=WOQPIIAJLDWJCH-UHFFFAOYSA-N210.1Ex 210.07(BP est) -2.68(MP est) ----(BP exp) ----(MP exp) C1CC(=S)OC1 -2.7PredY(Garner et al. 2007)
O=C1CCCS14083102.151C4H6OSdihydrothiophen-2(3H)-oneN126O=C1CCCS1InChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2InChIKey=KMSNYNIWEORQDJ-UHFFFAOYSA-N228.6Ex 169.33(BP est) 3.85(MP est) ----(BP exp) ----(MP exp) O=C1CCCS1 3.9PredY(de Lacy Costello et al. 2014)
O=C1CSCC14084102.151C4H6OSdihydrothiophen-3(2H)-oneN126O=C1CSCC1InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2InChIKey=DSXFPRKPFJRPIB-UHFFFAOYSA-N173.6Ex 169.33(BP est) 3.85(MP est) ----(BP exp) ----(MP exp) O=C1CSCC1 3.9PredN
C=CC(SC)=O4085102.151C4H6OSS-methyl prop-2-enethioateN126C=CC(SC)=OInChI=1S/C4H6OS/c1-3-4(5)6-2/h3H,1H2,2H3InChIKey=PSJMMTZCYKGHJA-UHFFFAOYSA-N137.0Ex 136.95(BP est) -44.72(MP est) ----(BP exp) ----(MP exp) C=CC(SC)=O -44.7PredY(Kjaer 1977, Richer et al. 1989)
NC(NC=C)=S4086102.155C3H6N2S1-vinylthioureaN126NC(NC=C)=SInChI=1S/C3H6N2S/c1-2-5-3(4)6/h2H,1H2,(H3,4,5,6)InChIKey=PVTGORQEZYKPDK-UHFFFAOYSA-N182.1Ex 182.12(BP est) 27.99(MP est) ----(BP exp) ----(MP exp) NC(NC=C)=S 28PredN
S=C(CN=C)N4087102.155C3H6N2S2-(methyleneamino)ethanethioamideN126S=C(CN=C)NInChI=1S/C3H6N2S/c1-5-2-3(4)6/h1-2H2,(H2,4,6)InChIKey=RVKXSIICZLNYQK-UHFFFAOYSA-N166.8Ex 166.76(BP est) -1.56(MP est) ----(BP exp) ----(MP exp) S=C(CN=C)N -1.6PredN
NC(N1CC1)=S4088102.155C3H6N2Saziridine-1-carbothioamideN126NC(N1CC1)=SInChI=1S/C3H6N2S/c4-3(6)5-1-2-5/h1-2H2,(H2,4,6)InChIKey=UDIUIXIBBPOQKL-UHFFFAOYSA-N178.7Ex 178.67(BP est) 19.68(MP est) ----(BP exp) ----(MP exp) NC(N1CC1)=S 19.7PredN
S=C1NCCN14089102.155C3H6N2Simidazolidine-2-thioneN126S=C1NCCN1InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)InChIKey=PDQAZBWRQCGBEV-UHFFFAOYSA-N347.2Ex 263.60(BP est) 69.66(MP est) 347.18(BP exp) 203.00(MP exp) S=C1NCCN1 203ExptN
N=C1SCCN14090102.155C3H6N2Sthiazolidin-2-imineN126N=C1SCCN1InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)InChIKey=REGFWZVTTFGQOJ-UHFFFAOYSA-N208.0Ex 207.98(BP est) 42.39(MP est) ----(BP exp) 85.30(MP exp) N=C1SCCN1 85.3ExptN
O=CC[N+](C)(C)C4091102.156C5H12NO+N,N,N-trimethyl-2-oxoethan-1-aminiumN186O=CC[N+](C)(C)CInChI=1S/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1InChIKey=SXKNCCSPZDCRFD-UHFFFAOYSA-N350.5Ex 350.53(BP est) 123.81(MP est) ----(BP exp) ----(MP exp) O=CC[N+](C)(C)C 123.8PredY(Irwin et al. 2012, ExPaSy 2015)
F[Si]1(CC=C1)C4092102.183C4H7FSi1-fluoro-1-methyl-1,2-dihydrosileteN136F[Si]1(CC=C1)CInChI=1S/C4H7FSi/c1-6(5)3-2-4-6/h2-3H,4H2,1H3InChIKey=RNIDKHGAQPMBGH-UHFFFAOYSA-N21.8Ex 21.80(BP est) -63.44(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC=C1)C -63.4PredN
F[Si]1(C=C)CC14093102.183C4H7FSi1-fluoro-1-vinylsiliraneN136F[Si]1(C=C)CC1InChI=1S/C4H7FSi/c1-2-6(5)3-4-6/h2H,1,3-4H2InChIKey=ZZPBHVOTDZEOJF-UHFFFAOYSA-N13.8Ex 13.78(BP est) -65.28(MP est) ----(BP exp) ----(MP exp) F[Si]1(C=C)CC1 -65.3PredN
FC1[Si]2(C1)CC24094102.183C4H7FSi1-fluoro-3-silaspiro[2.2]pentaneN136FC1[Si]2(C1)CC2InChI=1S/C4H7FSi/c5-4-3-6(4)1-2-6/h4H,1-3H2InChIKey=BOKOTGAZMXDYGC-UHFFFAOYSA-N17.9Ex 17.92(BP est) -52.46(MP est) ----(BP exp) ----(MP exp) FC1[Si]2(C1)CC2 -52.5PredN
F[Si](C)(C#C)C4095102.183C4H7FSiethynylfluorodimethylsilaneN136F[Si](C)(C#C)CInChI=1S/C4H7FSi/c1-4-6(2,3)5/h1H,2-3H3InChIKey=IVRWDXVBNVBALA-UHFFFAOYSA-N30.9Ex 30.94(BP est) -89.24(MP est) ----(BP exp) ----(MP exp) F[Si](C)(C#C)C -89.2PredN
SCC1(CC1)C4096102.195C5H10S(1-methylcyclopropyl)methanethiolN166SCC1(CC1)CInChI=1S/C5H10S/c1-5(4-6)2-3-5/h6H,2-4H2,1H3InChIKey=LXASAXGLAIXKGA-UHFFFAOYSA-N122.4Ex 122.40(BP est) -45.47(MP est) ----(BP exp) ----(MP exp) SCC1(CC1)C -45.5PredN
CSCC1CC14097102.195C5H10S(cyclopropylmethyl)(methyl)sulfaneN166CSCC1CC1InChI=1S/C5H10S/c1-6-4-5-2-3-5/h5H,2-4H2,1H3InChIKey=ZORRCCUVYFZFHV-UHFFFAOYSA-N120.7Ex 120.72(BP est) -58.94(MP est) ----(BP exp) ----(MP exp) CSCC1CC1 -58.9PredN
SC(C1CC1)C4098102.195C5H10S1-cyclopropylethane-1-thiolN166SC(C1CC1)CInChI=1S/C5H10S/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3InChIKey=QDAOVNWANSCYGD-UHFFFAOYSA-N120.7Ex 120.65(BP est) -65.43(MP est) ----(BP exp) ----(MP exp) SC(C1CC1)C -65.4PredN
SC1(CC)CC14099102.195C5H10S1-ethylcyclopropane-1-thiolN166SC1(CC)CC1InChI=1S/C5H10S/c1-2-5(6)3-4-5/h6H,2-4H2,1H3InChIKey=HSXSFLORVIPLDQ-UHFFFAOYSA-N122.4Ex 122.40(BP est) -45.47(MP est) ----(BP exp) ----(MP exp) SC1(CC)CC1 -45.5PredN
SC1(CCC1)C4100102.195C5H10S1-methylcyclobutane-1-thiolN166SC1(CCC1)CInChI=1S/C5H10S/c1-5(6)3-2-4-5/h6H,2-4H2,1H3InChIKey=ZPTOSKFJWQTRSZ-UHFFFAOYSA-N124.5Ex 124.52(BP est) -46.61(MP est) ----(BP exp) ----(MP exp) SC1(CCC1)C -46.6PredN
CC1C(C)(C)S14101102.195C5H10S2,2,3-trimethylthiiraneN166CC1C(C)(C)S1InChI=1S/C5H10S/c1-4-5(2,3)6-4/h4H,1-3H3InChIKey=TWNJQGQIVBDVAB-UHFFFAOYSA-N90.8Ex 98.81(BP est) -33.98(MP est) ----(BP exp) ----(MP exp) CC1C(C)(C)S1 -34PredN
CC1(C)SCC14102102.195C5H10S2,2-dimethylthietaneN166CC1(C)SCC1InChI=1S/C5H10S/c1-5(2)3-4-6-5/h3-4H2,1-2H3InChIKey=OJMSFYDWZDKGJI-UHFFFAOYSA-N107.9Ex 107.92(BP est) -30.96(MP est) ----(BP exp) ----(MP exp) CC1(C)SCC1 -31PredY(Crump 1980, DNP 2017)
CC1SCC1C4103102.195C5H10S2,3-dimethylthietaneN166CC1SCC1CInChI=1S/C5H10S/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3InChIKey=UOELDFAOGQTJNM-UHFFFAOYSA-N113.5Ex 113.54(BP est) -43.39(MP est) ----(BP exp) ----(MP exp) CC1SCC1C -43.4PredY(Brinck et al. 1983, DNP 2017)
CC1CC(C)S14104102.195C5H10S2,4-dimethylthietaneN166CC1CC(C)S1InChI=1S/C5H10S/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3InChIKey=PCMVFKBBCXWSNV-UHFFFAOYSA-N113.5Ex 113.54(BP est) -43.39(MP est) ----(BP exp) ----(MP exp) CC1CC(C)S1 -43.4PredY(Brinck et al. 1983)
SCCC1CC14105102.195C5H10S2-cyclopropylethane-1-thiolN166SCCC1CC1InChI=1S/C5H10S/c6-4-3-5-1-2-5/h5-6H,1-4H2InChIKey=GDAJGCSABQAVRD-UHFFFAOYSA-N134.5Ex 134.50(BP est) -53.89(MP est) ----(BP exp) ----(MP exp) SCCC1CC1 -53.9PredN
CC1(CC)CS14106102.195C5H10S2-ethyl-2-methylthiiraneN166CC1(CC)CS1InChI=1S/C5H10S/c1-3-5(2)4-6-5/h3-4H2,1-2H3InChIKey=XIVQIMJXNTVZJM-UHFFFAOYSA-N105.7Ex 105.74(BP est) -29.84(MP est) ----(BP exp) ----(MP exp) CC1(CC)CS1 -29.8PredN
CC1C(CC)S14107102.195C5H10S2-ethyl-3-methylthiiraneN166CC1C(CC)S1InChI=1S/C5H10S/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3InChIKey=SCWFWJLERFGUSI-UHFFFAOYSA-N111.4Ex 111.38(BP est) -42.26(MP est) ----(BP exp) ----(MP exp) CC1C(CC)S1 -42.3PredN
CCC1SCC14108102.195C5H10S2-ethylthietaneN166CCC1SCC1InChI=1S/C5H10S/c1-2-5-3-4-6-5/h5H,2-4H2,1H3InChIKey=JCJPIHHXZBZISN-UHFFFAOYSA-N120.3Ex 120.32(BP est) -39.29(MP est) ----(BP exp) ----(MP exp) CCC1SCC1 -39.3PredY(Crump 1980)
CC/C(C)=C/S4109102.195C5H10S2-methylbut-1-ene-1-thiolN166CC/C(C)=C/SInChI=1S/C5H10S/c1-3-5(2)4-6/h4,6H,3H2,1-2H3InChIKey=JNZXLHOIKNISCY-UHFFFAOYSA-N117.0Ex 131.42(BP est) -73.28(MP est) ----(BP exp) ----(MP exp) CC/C(C)=C/S -73.3PredN
SCC(C=C)C4110102.195C5H10S2-methylbut-3-ene-1-thiolN166SCC(C=C)CInChI=1S/C5H10S/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3InChIKey=RYHDBGRZBVURSR-UHFFFAOYSA-N114.9Ex 114.94(BP est) -76.95(MP est) ----(BP exp) ----(MP exp) SCC(C=C)C -77PredN
SC(C)(C=C)C4111102.195C5H10S2-methylbut-3-ene-2-thiolN166SC(C)(C=C)CInChI=1S/C5H10S/c1-4-5(2,3)6/h4,6H,1H2,2-3H3InChIKey=ZHGUYOQLAGSRGI-UHFFFAOYSA-N105.6Ex 105.57(BP est) -70.98(MP est) ----(BP exp) ----(MP exp) SC(C)(C=C)C -71PredN
SC1CCC1C4112102.195C5H10S2-methylcyclobutane-1-thiolN166SC1CCC1CInChI=1S/C5H10S/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3InChIKey=OFCXQPNAVNZCIL-UHFFFAOYSA-N130.0Ex 129.98(BP est) -59.09(MP est) ----(BP exp) ----(MP exp) SC1CCC1C -59.1PredN
CC1SCCC14113102.195C5H10S2-methyltetrahydrothiopheneN166CC1SCCC1InChI=1S/C5H10S/c1-5-3-2-4-6-5/h5H,2-4H2,1H3InChIKey=AJPGNQYBSTXCJE-UHFFFAOYSA-N132.1Ex 122.44(BP est) -40.43(MP est) 134.00(BP exp) -100.70(MP exp) CC1SCCC1 -100.7ExptY(Wijaya et al. 2005)
CCCC1CS14114102.195C5H10S2-propylthiiraneN166CCCC1CS1InChI=1S/C5H10S/c1-2-3-5-4-6-5/h5H,2-4H2,1H3InChIKey=DIAQTKBIHIIKFJ-UHFFFAOYSA-N118.2Ex 118.18(BP est) -38.16(MP est) ----(BP exp) ----(MP exp) CCCC1CS1 -38.2PredN
CC1(C)CSC14115102.195C5H10S3,3-dimethylthietaneN166CC1(C)CSC1InChI=1S/C5H10S/c1-5(2)3-6-4-5/h3-4H2,1-2H3InChIKey=RPRIYERFOHERFT-UHFFFAOYSA-N117.0Ex 107.92(BP est) -30.96(MP est) ----(BP exp) ----(MP exp) CC1(C)CSC1 -31PredN
CCC1CSC14116102.195C5H10S3-ethylthietaneN166CCC1CSC1InChI=1S/C5H10S/c1-2-5-3-6-4-5/h5H,2-4H2,1H3InChIKey=YWCONSKQUWCRKV-UHFFFAOYSA-N120.3Ex 120.32(BP est) -39.29(MP est) ----(BP exp) ----(MP exp) CCC1CSC1 -39.3PredN
SCC=C(C)C4117102.195C5H10S3-methylbut-2-ene-1-thiolN166SCC=C(C)CInChI=1S/C5H10S/c1-5(2)3-4-6/h3,6H,4H2,1-2H3InChIKey=GYDPOKGOQFTYGW-UHFFFAOYSA-N131.4Ex 131.42(BP est) -73.28(MP est) ----(BP exp) ----(MP exp) SCC=C(C)C -73.3PredY(The Good Scents Company)
CC1CSCC14118102.195C5H10S3-methyltetrahydrothiopheneN166CC1CSCC1InChI=1S/C5H10S/c1-5-2-3-6-4-5/h5H,2-4H2,1H3InChIKey=DLABLFPCTXRQMY-UHFFFAOYSA-N136.7Ex 122.44(BP est) -40.43(MP est) 139.00(BP exp) ----(MP exp) CC1CSCC1 -40.4PredY(Schultz et al. 1988)
CCSCC=C4119102.195C5H10Sallyl(ethyl)sulfaneN166CCSCC=CInChI=1S/C5H10S/c1-3-5-6-4-2/h3H,1,4-5H2,2H3InChIKey=NOJXPGXFDASWEI-UHFFFAOYSA-N163.7Ex 115.00(BP est) -70.46(MP est) ----(BP exp) ----(MP exp) CCSCC=C -70.5PredY(Gu et al. 2013)
CSC=CCC4120102.195C5H10Sbut-1-en-1-yl(methyl)sulfaneN166CSC=CCCInChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3InChIKey=QOKMHYUWJKXWOV-UHFFFAOYSA-N123.9Ex 123.92(BP est) -69.52(MP est) ----(BP exp) ----(MP exp) CSC=CCC -69.5PredY(Wishart et al. 2013)
CSC(CC)=C4121102.195C5H10Sbut-1-en-2-yl(methyl)sulfaneN166CSC(CC)=CInChI=1S/C5H10S/c1-4-5(2)6-3/h2,4H2,1,3H3InChIKey=PXKXRQFWEFHSIM-UHFFFAOYSA-N108.6Ex 108.57(BP est) -79.32(MP est) ----(BP exp) ----(MP exp) CSC(CC)=C -79.3PredN
CSC(C)=CC4122102.195C5H10Sbut-2-en-2-yl(methyl)sulfaneN166CSC(C)=CCInChI=1S/C5H10S/c1-4-5(2)6-3/h4H,1-3H3InChIKey=QNVBGPSBNWCBMA-UHFFFAOYSA-N117.6Ex 117.57(BP est) -78.35(MP est) ----(BP exp) ----(MP exp) CSC(C)=CC -78.4PredN
CSCCC=C4123102.195C5H10Sbut-3-en-1-yl(methyl)sulfaneN166CSCCC=CInChI=1S/C5H10S/c1-3-4-5-6-2/h3H,1,4-5H2,2H3InChIKey=KTYYHDZDBJAYQT-UHFFFAOYSA-N115.0Ex 115.00(BP est) -70.46(MP est) ----(BP exp) ----(MP exp) CSCCC=C -70.5PredN
CSC(C=C)C4124102.195C5H10Sbut-3-en-2-yl(methyl)sulfaneN166CSC(C=C)CInChI=1S/C5H10S/c1-4-5(2)6-3/h4-5H,1H2,2-3H3InChIKey=DFVQQQQGRDQNEN-UHFFFAOYSA-N100.7Ex 100.70(BP est) -82.14(MP est) ----(BP exp) ----(MP exp) CSC(C=C)C -82.1PredN
CSC1CCC14125102.195C5H10Scyclobutyl(methyl)sulfaneN166CSC1CCC1InChI=1S/C5H10S/c1-6-5-3-2-4-5/h5H,2-4H2,1H3InChIKey=ZDVIAJYFDIKPJG-UHFFFAOYSA-N122.9Ex 122.85(BP est) -60.08(MP est) ----(BP exp) ----(MP exp) CSC1CCC1 -60.1PredN
SCC1CCC14126102.195C5H10ScyclobutylmethanethiolN166SCC1CCC1InChI=1S/C5H10S/c6-4-5-2-1-3-5/h5-6H,1-4H2InChIKey=BSEUUPXORXVBTB-UHFFFAOYSA-N136.6Ex 136.57(BP est) -55.04(MP est) ----(BP exp) ----(MP exp) SCC1CCC1 -55PredN
SC1CCCC14127102.195C5H10ScyclopentanethiolN166SC1CCCC1InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2InChIKey=WVDYBOADDMMFIY-UHFFFAOYSA-N132.2Ex 138.64(BP est) -56.20(MP est) 132.10(BP exp) ----(MP exp) SC1CCCC1 -56.2PredY(DNP 2017)
CCSC1CC14128102.195C5H10Scyclopropyl(ethyl)sulfaneN166CCSC1CC1InChI=1S/C5H10S/c1-2-6-5-3-4-5/h5H,2-4H2,1H3InChIKey=VACFILPDVRMFOB-UHFFFAOYSA-N120.7Ex 120.72(BP est) -58.94(MP est) ----(BP exp) ----(MP exp) CCSC1CC1 -58.9PredN
CCSC=CC4129102.195C5H10Sethyl(prop-1-en-1-yl)sulfaneN166CCSC=CCInChI=1S/C5H10S/c1-3-5-6-4-2/h3,5H,4H2,1-2H3InChIKey=GBUNXBFHVUCURS-UHFFFAOYSA-N118.0Ex 123.92(BP est) -69.52(MP est) ----(BP exp) ----(MP exp) CCSC=CC -69.5PredN
CCSC(C)=C4130102.195C5H10Sethyl(prop-1-en-2-yl)sulfaneN166CCSC(C)=CInChI=1S/C5H10S/c1-4-6-5(2)3/h2,4H2,1,3H3InChIKey=RBKMVLJKURSLIJ-UHFFFAOYSA-N114.5Ex 108.57(BP est) -79.32(MP est) ----(BP exp) ----(MP exp) CCSC(C)=C -79.3PredN
CC(SC=C)C4131102.195C5H10Sisopropyl(vinyl)sulfaneN166CC(SC=C)CInChI=1S/C5H10S/c1-4-6-5(2)3/h4-5H,1H2,2-3H3InChIKey=KENPNZJNGZPRCQ-UHFFFAOYSA-N100.7Ex 100.70(BP est) -82.14(MP est) ----(BP exp) ----(MP exp) CC(SC=C)C -82.1PredN
CSC1(CC1)C4132102.195C5H10Smethyl(1-methylcyclopropyl)sulfaneN166CSC1(CC1)CInChI=1S/C5H10S/c1-5(6-2)3-4-5/h3-4H2,1-2H3InChIKey=URSJKCJAEGGYIQ-UHFFFAOYSA-N108.3Ex 108.33(BP est) -50.61(MP est) ----(BP exp) ----(MP exp) CSC1(CC1)C -50.6PredN
C=C(C)CSC4133102.195C5H10Smethyl(2-methylallyl)sulfaneN166C=C(C)CSCInChI=1S/C5H10S/c1-5(2)4-6-3/h1,4H2,2-3H3InChIKey=OFSJHBMVJFGCIG-UHFFFAOYSA-N113.1Ex 108.57(BP est) -79.32(MP est) ----(BP exp) ----(MP exp) C=C(C)CSC -79.3PredN
CSC=C(C)C4134102.195C5H10Smethyl(2-methylprop-1-en-1-yl)sulfaneN166CSC=C(C)CInChI=1S/C5H10S/c1-5(2)4-6-3/h4H,1-3H3InChIKey=COQOFJMYYXLQHT-UHFFFAOYSA-N117.6Ex 117.57(BP est) -78.35(MP est) ----(BP exp) ----(MP exp) CSC=C(C)C -78.4PredN
SC(C=C)CC4135102.195C5H10Spent-1-ene-3-thiolN166SC(C=C)CCInChI=1S/C5H10S/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3InChIKey=MBIVNZOYMUFRNU-UHFFFAOYSA-N114.9Ex 114.94(BP est) -76.95(MP est) ----(BP exp) ----(MP exp) SC(C=C)CC -77PredN
SCCCC=C4136102.195C5H10Spent-4-ene-1-thiolN166SCCCC=CInChI=1S/C5H10S/c1-2-3-4-5-6/h2,6H,1,3-5H2InChIKey=FIAIUXDEJBAZET-UHFFFAOYSA-N128.9Ex 128.91(BP est) -65.37(MP est) ----(BP exp) ----(MP exp) SCCCC=C -65.4PredN
SC(CC=C)C4137102.195C5H10Spent-4-ene-2-thiolN166SC(CC=C)CInChI=1S/C5H10S/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3InChIKey=QOVCAIBLIAHBDB-UHFFFAOYSA-N114.9Ex 114.94(BP est) -76.95(MP est) ----(BP exp) ----(MP exp) SC(CC=C)C -77PredN
CCCSC=C4138102.195C5H10Spropyl(vinyl)sulfaneN166CCCSC=CInChI=1S/C5H10S/c1-3-5-6-4-2/h4H,2-3,5H2,1H3InChIKey=HWRMMWBUMQCMJK-UHFFFAOYSA-N115.0Ex 115.00(BP est) -70.46(MP est) ----(BP exp) ----(MP exp) CCCSC=C -70.5PredN
C1CCCCS14139102.195C5H10Stetrahydro-2H-thiopyranN166C1CCCCS1InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2InChIKey=YPWFISCTZQNZAU-UHFFFAOYSA-N141.3Ex 131.22(BP est) -37.51(MP est) 141.80(BP exp) 19.00(MP exp) C1CCCCS1 19ExptN
CC[Si]1(O)CC14140102.208C4H10OSi1-ethylsiliran-1-olN166CC[Si]1(O)CC1InChI=1S/C4H10OSi/c1-2-6(5)3-4-6/h5H,2-4H2,1H3InChIKey=NRQHZVWYTLUONW-UHFFFAOYSA-N125.5Ex 125.48(BP est) -1.67(MP est) ----(BP exp) ----(MP exp) CC[Si]1(O)CC1 -1.7PredN
C[Si]1(OC)CC14141102.208C4H10OSi1-methoxy-1-methylsiliraneN166C[Si]1(OC)CC1InChI=1S/C4H10OSi/c1-5-6(2)3-4-6/h3-4H2,1-2H3InChIKey=LFTBSIIQEHIUDH-UHFFFAOYSA-N40.8Ex 40.82(BP est) -45.69(MP est) ----(BP exp) ----(MP exp) C[Si]1(OC)CC1 -45.7PredN
C[Si]1(O)CCC14142102.208C4H10OSi1-methylsiletan-1-olN166C[Si]1(O)CCC1InChI=1S/C4H10OSi/c1-6(5)3-2-4-6/h5H,2-4H2,1H3InChIKey=KTBAPAWKVZNRAA-UHFFFAOYSA-N127.6Ex 127.59(BP est) -2.82(MP est) ----(BP exp) ----(MP exp) C[Si]1(O)CCC1 -2.8PredN
C[Si](C=C)(O)C4143102.208C4H10OSidimethyl(vinyl)silanolN166C[Si](C=C)(O)CInChI=1S/C4H10OSi/c1-4-6(2,3)5/h4-5H,1H2,2-3H3InChIKey=VEJBQZZDVYDUHU-UHFFFAOYSA-N128.7Ex 128.71(BP est) -54.95(MP est) ----(BP exp) ----(MP exp) C[Si](C=C)(O)C -55PredN
C[Si](C)(CC)C4144102.252C5H14SiethyltrimethylsilaneN206C[Si](C)(CC)CInChI=1S/C5H14Si/c1-5-6(2,3)4/h5H2,1-4H3InChIKey=UKAJDOBPPOAZSS-UHFFFAOYSA-N63.2Ex 45.41(BP est) -103.17(MP est) ----(BP exp) ----(MP exp) C[Si](C)(CC)C -103.2PredN
OC(Cl)(F)(F)4145102.465CHClF2OchlorodifluoromethanolN65OC(Cl)(F)(F)InChI=1S/CHClF2O/c2-1(3,4)5/h5HInChIKey=NSQGNZDVOPOVGX-UHFFFAOYSA-N39.2Ex 39.21(BP est) -84.28(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(F) -84.3PredN
C(Cl)#C(C#CF)4146102.492C4ClF1-chloro-4-fluorobuta-1,3-diyneN66C(Cl)#C(C#CF)InChI=1S/C4ClF/c5-3-1-2-4-6InChIKey=IIAITRGUEIFYNM-UHFFFAOYSA-N97.3Ex 97.26(BP est) 23.76(MP est) ----(BP exp) ----(MP exp) C(Cl)#C(C#CF) 23.8PredN
C#CC(CCl)=O4147102.517C4H3ClO1-chlorobut-3-yn-2-oneN96C#CC(CCl)=OInChI=1S/C4H3ClO/c1-2-4(6)3-5/h1H,3H2InChIKey=NCEGXMIHDHYTNC-UHFFFAOYSA-N142.3Ex 142.30(BP est) -21.04(MP est) ----(BP exp) ----(MP exp) C#CC(CCl)=O -21PredN
ClC(C1=CO1)=C4148102.517C4H3ClO2-(1-chlorovinyl)oxireneN96ClC(C1=CO1)=CInChI=1S/C4H3ClO/c1-3(5)4-2-6-4/h2H,1H2InChIKey=WROOKULAMMSBIO-UHFFFAOYSA-N94.4Ex 94.40(BP est) -60.32(MP est) ----(BP exp) ----(MP exp) ClC(C1=CO1)=C -60.3PredN
ClC=CC1=CO14149102.517C4H3ClO2-(2-chlorovinyl)oxireneN96ClC=CC1=CO1InChI=1S/C4H3ClO/c5-2-1-4-3-6-4/h1-3HInChIKey=XIXQCSQRFFTQDA-UHFFFAOYSA-N110.1Ex 110.09(BP est) -50.41(MP est) ----(BP exp) ----(MP exp) ClC=CC1=CO1 -50.4PredN
ClC#CC1CO14150102.517C4H3ClO2-(chloroethynyl)oxiraneN96ClC#CC1CO1InChI=1S/C4H3ClO/c5-2-1-4-3-6-4/h4H,3H2InChIKey=GUJQLFKYQAHMAZ-UHFFFAOYSA-N112.0Ex 112.00(BP est) -3.03(MP est) ----(BP exp) ----(MP exp) ClC#CC1CO1 -3PredN
ClC1(C#C)CO14151102.517C4H3ClO2-chloro-2-ethynyloxiraneN96ClC1(C#C)CO1InChI=1S/C4H3ClO/c1-2-4(5)3-6-4/h1H,3H2InChIKey=YAIAXQPMEMHOMU-UHFFFAOYSA-N92.6Ex 92.56(BP est) -26.32(MP est) ----(BP exp) ----(MP exp) ClC1(C#C)CO1 -26.3PredN
ClC1C(C#C)O14152102.517C4H3ClO2-chloro-3-ethynyloxiraneN96ClC1C(C#C)O1InChI=1S/C4H3ClO/c1-2-3-4(5)6-3/h1,3-4HInChIKey=VYFGNLPMALGYEH-UHFFFAOYSA-N111.3Ex 111.29(BP est) -34.92(MP est) ----(BP exp) ----(MP exp) ClC1C(C#C)O1 -34.9PredN
ClC(O1)=C1C=C4153102.517C4H3ClO2-chloro-3-vinyloxireneN96ClC(O1)=C1C=CInChI=1S/C4H3ClO/c1-2-3-4(5)6-3/h2H,1H2InChIKey=FUWUOQJNOJRYGM-UHFFFAOYSA-N98.9Ex 98.92(BP est) -45.76(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1C=C -45.8PredN
ClC1CC2=C1O24154102.517C4H3ClO2-chloro-5-oxabicyclo[2.1.0]pent-1(4)-eneN96ClC1CC2=C1O2InChI=1S/C4H3ClO/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=AQYVIWWMOMKTPV-UHFFFAOYSA-N117.6Ex 117.56(BP est) -28.71(MP est) ----(BP exp) ----(MP exp) ClC1CC2=C1O2 -28.7PredN
O=CC(C#C)Cl4155102.517C4H3ClO2-chlorobut-3-ynalN96O=CC(C#C)ClInChI=1S/C4H3ClO/c1-2-4(5)3-6/h1,3-4HInChIKey=QBJDTGGRJNAURU-UHFFFAOYSA-N129.5Ex 129.47(BP est) -36.25(MP est) ----(BP exp) ----(MP exp) O=CC(C#C)Cl -36.3PredN
C(=O)C#C(CCl)4156102.517C4H3ClO4-chlorobut-2-ynalN96C(=O)C#C(CCl)InChI=1S/C4H3ClO/c5-3-1-2-4-6/h4H,3H2InChIKey=DTVGNMVNCZMWGX-UHFFFAOYSA-N163.3Ex 163.26(BP est) 10.68(MP est) ----(BP exp) ----(MP exp) C(=O)C#C(CCl) 10.7PredN
ClC#CC(C)=O4157102.517C4H3ClO4-chlorobut-3-yn-2-oneN96ClC#CC(C)=OInChI=1S/C4H3ClO/c1-4(6)2-3-5/h1H3InChIKey=OKRLZZKJPQKAII-UHFFFAOYSA-N124.0Ex 123.98(BP est) 3.18(MP est) ----(BP exp) ----(MP exp) ClC#CC(C)=O 3.2PredN
O=CCC#CCl4158102.517C4H3ClO4-chlorobut-3-ynalN96O=CCC#CClInChI=1S/C4H3ClO/c5-3-1-2-4-6/h4H,2H2InChIKey=XWZCZXLMHGPRQV-UHFFFAOYSA-N137.3Ex 137.27(BP est) 3.10(MP est) ----(BP exp) ----(MP exp) O=CCC#CCl 3.1PredN
ClC(C)=C1CC14159102.561C5H7Cl(1-chloroethylidene)cyclopropaneN136ClC(C)=C1CC1InChI=1S/C5H7Cl/c1-4(6)5-2-3-5/h2-3H2,1H3InChIKey=ZVMFYPZNVOABPR-UHFFFAOYSA-N91.8Ex 91.80(BP est) -69.30(MP est) ----(BP exp) ----(MP exp) ClC(C)=C1CC1 -69.3PredN
ClC(C1CC1)=C4160102.561C5H7Cl(1-chlorovinyl)cyclopropaneN136ClC(C1CC1)=CInChI=1S/C5H7Cl/c1-4(6)5-2-3-5/h5H,1-3H2InChIKey=DMBZMYSIZIVDDT-UHFFFAOYSA-N79.6Ex 79.56(BP est) -81.06(MP est) ----(BP exp) ----(MP exp) ClC(C1CC1)=C -81.1PredN
ClCC=C1CC14161102.561C5H7Cl(2-chloroethylidene)cyclopropaneN136ClCC=C1CC1InChI=1S/C5H7Cl/c6-4-3-5-1-2-5/h3H,1-2,4H2InChIKey=BZRMFHWUVADYFY-UHFFFAOYSA-N126.2Ex 126.17(BP est) -52.29(MP est) ----(BP exp) ----(MP exp) ClCC=C1CC1 -52.3PredN
ClC=CC1CC14162102.561C5H7Cl(2-chlorovinyl)cyclopropaneN136ClC=CC1CC1InChI=1S/C5H7Cl/c6-4-3-5-1-2-5/h3-5H,1-2H2InChIKey=JUSAFNWPOIALDX-UHFFFAOYSA-N95.6Ex 95.62(BP est) -71.05(MP est) ----(BP exp) ----(MP exp) ClC=CC1CC1 -71.1PredN
ClC=C1CCC14163102.561C5H7Cl(chloromethylene)cyclobutaneN136ClC=C1CCC1InChI=1S/C5H7Cl/c6-4-5-2-1-3-5/h4H,1-3H2InChIKey=PLEJDAZDTNDENF-UHFFFAOYSA-N100.6Ex 100.61(BP est) -61.51(MP est) ----(BP exp) ----(MP exp) ClC=C1CCC1 -61.5PredN
ClC(C)C1=CC14164102.561C5H7Cl1-(1-chloroethyl)cycloprop-1-eneN136ClC(C)C1=CC1InChI=1S/C5H7Cl/c1-4(6)5-2-3-5/h2,4H,3H2,1H3InChIKey=RNNURGBTFAFFEN-UHFFFAOYSA-N97.0Ex 97.00(BP est) -66.85(MP est) ----(BP exp) ----(MP exp) ClC(C)C1=CC1 -66.9PredN
ClCCC1=CC14165102.561C5H7Cl1-(2-chloroethyl)cycloprop-1-eneN136ClCCC1=CC1InChI=1S/C5H7Cl/c6-4-3-5-1-2-5/h1H,2-4H2InChIKey=PSLSKTCAOINYEC-UHFFFAOYSA-N124.1Ex 124.13(BP est) -51.42(MP est) ----(BP exp) ----(MP exp) ClCCC1=CC1 -51.4PredN
CC(C1)=C1CCl4166102.561C5H7Cl1-(chloromethyl)-2-methylcycloprop-1-eneN136CC(C1)=C1CClInChI=1S/C5H7Cl/c1-4-2-5(4)3-6/h2-3H2,1H3InChIKey=WVYKKVBJDAHNGE-UHFFFAOYSA-N122.2Ex 122.15(BP est) -45.75(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1CCl -45.8PredN
ClCC1=CC1C4167102.561C5H7Cl1-(chloromethyl)-3-methylcycloprop-1-eneN136ClCC1=CC1CInChI=1S/C5H7Cl/c1-4-2-5(4)3-6/h2,4H,3H2,1H3InChIKey=QDXVCYWHNKSVIT-UHFFFAOYSA-N117.4Ex 117.40(BP est) -55.51(MP est) ----(BP exp) ----(MP exp) ClCC1=CC1C -55.5PredN
ClCC1=CCC14168102.561C5H7Cl1-(chloromethyl)cyclobut-1-eneN136ClCC1=CCC1InChI=1S/C5H7Cl/c6-4-5-2-1-3-5/h2H,1,3-4H2InChIKey=KODVKVCKJFXBIK-UHFFFAOYSA-N126.3Ex 126.25(BP est) -52.57(MP est) ----(BP exp) ----(MP exp) ClCC1=CCC1 -52.6PredN
ClC1(C=C)CC14169102.561C5H7Cl1-chloro-1-vinylcyclopropaneN136ClC1(C=C)CC1InChI=1S/C5H7Cl/c1-2-5(6)3-4-5/h2H,1,3-4H2InChIKey=OGRIMNJXXDGROB-UHFFFAOYSA-N75.4Ex 75.44(BP est) -63.33(MP est) ----(BP exp) ----(MP exp) ClC1(C=C)CC1 -63.3PredN
ClC(C1C)=C1C4170102.561C5H7Cl1-chloro-2,3-dimethylcycloprop-1-eneN136ClC(C1C)=C1CInChI=1S/C5H7Cl/c1-3-4(2)5(3)6/h3H,1-2H3InChIKey=ZEUOKIORDUSZSF-UHFFFAOYSA-N87.1Ex 87.13(BP est) -58.09(MP est) ----(BP exp) ----(MP exp) ClC(C1C)=C1C -58.1PredN
ClC(C1)=C1CC4171102.561C5H7Cl1-chloro-2-ethylcycloprop-1-eneN136ClC(C1)=C1CCInChI=1S/C5H7Cl/c1-2-4-3-5(4)6/h2-3H2,1H3InChIKey=OQNOGPOEWSCKIJ-UHFFFAOYSA-N94.2Ex 94.20(BP est) -53.90(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1CC -53.9PredN
CC=C1CC1Cl4172102.561C5H7Cl1-chloro-2-ethylidenecyclopropaneN136CC=C1CC1ClInChI=1S/C5H7Cl/c1-2-4-3-5(4)6/h2,5H,3H2,1H3InChIKey=LWUYQKMKXIRANR-UHFFFAOYSA-N106.6Ex 106.62(BP est) -60.12(MP est) ----(BP exp) ----(MP exp) CC=C1CC1Cl -60.1PredN
ClC=C(C=C)C4173102.561C5H7Cl1-chloro-2-methylbuta-1,3-dieneN136ClC=C(C=C)CInChI=1S/C5H7Cl/c1-3-5(2)4-6/h3-4H,1H2,2H3InChIKey=ITQIRXSIZVCCPM-UHFFFAOYSA-N107.0Ex 82.97(BP est) -91.57(MP est) ----(BP exp) ----(MP exp) ClC=C(C=C)C -91.6PredN
ClC(CC1)=C1C4174102.561C5H7Cl1-chloro-2-methylcyclobut-1-eneN136ClC(CC1)=C1CInChI=1S/C5H7Cl/c1-4-2-3-5(4)6/h2-3H2,1H3InChIKey=OIGJROXACQQGOA-UHFFFAOYSA-N96.4Ex 96.42(BP est) -55.02(MP est) ----(BP exp) ----(MP exp) ClC(CC1)=C1C -55PredN
C=C1CCC1Cl4175102.561C5H7Cl1-chloro-2-methylenecyclobutaneN136C=C1CCC1ClInChI=1S/C5H7Cl/c1-4-2-3-5(4)6/h5H,1-3H2InChIKey=JEVGQMFBYJGRJF-UHFFFAOYSA-N99.7Ex 99.66(BP est) -62.25(MP est) ----(BP exp) ----(MP exp) C=C1CCC1Cl -62.3PredN
ClC1C(C=C)C14176102.561C5H7Cl1-chloro-2-vinylcyclopropaneN136ClC1C(C=C)C1InChI=1S/C5H7Cl/c1-2-4-3-5(4)6/h2,4-5H,1,3H2InChIKey=JSXCPVLFJYEILA-UHFFFAOYSA-N94.7Ex 94.66(BP est) -71.79(MP est) ----(BP exp) ----(MP exp) ClC1C(C=C)C1 -71.8PredN
ClC1=CC1(C)C4177102.561C5H7Cl1-chloro-3,3-dimethylcycloprop-1-eneN136ClC1=CC1(C)CInChI=1S/C5H7Cl/c1-5(2)3-4(5)6/h3H,1-2H3InChIKey=XDEMBFVACUSZAE-UHFFFAOYSA-N76.2Ex 76.22(BP est) -55.58(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(C)C -55.6PredN
ClC1=CC1CC4178102.561C5H7Cl1-chloro-3-ethylcycloprop-1-eneN136ClC1=CC1CCInChI=1S/C5H7Cl/c1-2-4-3-5(4)6/h3-4H,2H2,1H3InChIKey=KISRANLNAMWJKD-UHFFFAOYSA-N89.2Ex 89.23(BP est) -63.73(MP est) ----(BP exp) ----(MP exp) ClC1=CC1CC -63.7PredN
CC(C#CCl)C4179102.561C5H7Cl1-chloro-3-methylbut-1-yneN136CC(C#CCl)CInChI=1S/C5H7Cl/c1-5(2)3-4-6/h5H,1-2H3InChIKey=RAMYDLMWLUHCHP-UHFFFAOYSA-N86.9Ex 86.93(BP est) -34.47(MP est) ----(BP exp) ----(MP exp) CC(C#CCl)C -34.5PredN
C=C(C=CCl)C4180102.561C5H7Cl1-chloro-3-methylbuta-1,3-dieneN136C=C(C=CCl)CInChI=1S/C5H7Cl/c1-5(2)3-4-6/h3-4H,1H2,2H3InChIKey=RHCFCHADDXGWJE-UHFFFAOYSA-N100.7Ex 82.97(BP est) -91.57(MP est) ----(BP exp) ----(MP exp) C=C(C=CCl)C -91.6PredN
CC1CC(Cl)=C14181102.561C5H7Cl1-chloro-3-methylcyclobut-1-eneN136CC1CC(Cl)=C1InChI=1S/C5H7Cl/c1-4-2-5(6)3-4/h2,4H,3H2,1H3InChIKey=BSQJSHGJSYMPSJ-UHFFFAOYSA-N91.5Ex 91.47(BP est) -64.84(MP est) ----(BP exp) ----(MP exp) CC1CC(Cl)=C1 -64.8PredN
C=C1CC(Cl)C14182102.561C5H7Cl1-chloro-3-methylenecyclobutaneN136C=C1CC(Cl)C1InChI=1S/C5H7Cl/c1-4-2-5(6)3-4/h5H,1-3H2InChIKey=XKUAYUFACLXWBX-UHFFFAOYSA-N99.7Ex 99.66(BP est) -62.25(MP est) ----(BP exp) ----(MP exp) C=C1CC(Cl)C1 -62.3PredN
CC1CC=C1Cl4183102.561C5H7Cl1-chloro-4-methylcyclobut-1-eneN136CC1CC=C1ClInChI=1S/C5H7Cl/c1-4-2-3-5(4)6/h3-4H,2H2,1H3InChIKey=JXHQQMFUCZTNLR-UHFFFAOYSA-N91.5Ex 91.47(BP est) -64.84(MP est) ----(BP exp) ----(MP exp) CC1CC=C1Cl -64.8PredN
ClC12CC1CC24184102.561C5H7Cl1-chlorobicyclo[2.1.0]pentaneN136ClC12CC1CC2InChI=1S/C5H7Cl/c6-5-2-1-4(5)3-5/h4H,1-3H2InChIKey=SEJWDVQJEBPCIB-UHFFFAOYSA-N79.3Ex 79.25(BP est) -50.61(MP est) ----(BP exp) ----(MP exp) ClC12CC1CC2 -50.6PredN
ClC1=CCCC14185102.561C5H7Cl1-chlorocyclopent-1-eneN136ClC1=CCCC1InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h3H,1-2,4H2InChIKey=UJUIJZWQFDQKHO-UHFFFAOYSA-N115.0Ex 100.69(BP est) -61.79(MP est) ----(BP exp) ----(MP exp) ClC1=CCCC1 -61.8PredN
CCCC#CCl4186102.561C5H7Cl1-chloropent-1-yneN136CCCC#CClInChI=1S/C5H7Cl/c1-2-3-4-5-6/h2-3H2,1H3InChIKey=UYDVMSBEKRHISS-UHFFFAOYSA-N101.5Ex 101.54(BP est) -22.70(MP est) ----(BP exp) ----(MP exp) CCCC#CCl -22.7PredN
ClCC#CCC4187102.561C5H7Cl1-chloropent-2-yneN136ClCC#CCCInChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,5H2,1H3InChIKey=JBKXDMAPOZZDCE-UHFFFAOYSA-N129.2Ex 129.17(BP est) -14.64(MP est) ----(BP exp) ----(MP exp) ClCC#CCC -14.6PredN
CC=CC=CCl4188102.561C5H7Cl1-chloropenta-1,3-dieneN136CC=CC=CClInChI=1S/C5H7Cl/c1-2-3-4-5-6/h2-5H,1H3InChIKey=PEUWKAAVXXUTRM-UHFFFAOYSA-N98.9Ex 98.94(BP est) -81.59(MP est) ----(BP exp) ----(MP exp) CC=CC=CCl -81.6PredN
C=CCC=CCl4189102.561C5H7Cl1-chloropenta-1,4-dieneN136C=CCC=CClInChI=1S/C5H7Cl/c1-2-3-4-5-6/h2,4-5H,1,3H2InChIKey=KJRJSONXSOLFCU-UHFFFAOYSA-N89.7Ex 89.67(BP est) -82.64(MP est) ----(BP exp) ----(MP exp) C=CCC=CCl -82.6PredN
ClC1C2(C1)CC24190102.561C5H7Cl1-chlorospiro[2.2]pentaneN136ClC1C2(C1)CC2InChI=1S/C5H7Cl/c6-4-3-5(4)1-2-5/h4H,1-3H2InChIKey=VWBXFHIXJNSBGM-UHFFFAOYSA-N92.6Ex 92.60(BP est) -46.71(MP est) ----(BP exp) ----(MP exp) ClC1C2(C1)CC2 -46.7PredN
C=C(C=C)CCl4191102.561C5H7Cl2-(chloromethyl)buta-1,3-dieneN136C=C(C=C)CClInChI=1S/C5H7Cl/c1-3-5(2)4-6/h3H,1-2,4H2InChIKey=WOZCYBXTBXAJSA-UHFFFAOYSA-N98.0Ex 102.31(BP est) -84.27(MP est) ----(BP exp) ----(MP exp) C=C(C=C)CCl -84.3PredN
C=C(C(Cl)=C)C4192102.561C5H7Cl2-chloro-3-methylbuta-1,3-dieneN136C=C(C(Cl)=C)CInChI=1S/C5H7Cl/c1-4(2)5(3)6/h1,3H2,2H3InChIKey=PKVRTDNAPQGMGP-UHFFFAOYSA-N93.0Ex 66.61(BP est) -101.67(MP est) ----(BP exp) ----(MP exp) C=C(C(Cl)=C)C -101.7PredN
ClC1CC2CC214193102.561C5H7Cl2-chlorobicyclo[2.1.0]pentaneN136ClC1CC2CC21InChI=1S/C5H7Cl/c6-5-2-3-1-4(3)5/h3-5H,1-2H2InChIKey=FTAYSDNRDCABAI-UHFFFAOYSA-N98.4Ex 98.36(BP est) -59.10(MP est) ----(BP exp) ----(MP exp) ClC1CC2CC21 -59.1PredN
CC=CC(Cl)=C4194102.561C5H7Cl2-chloropenta-1,3-dieneN136CC=CC(Cl)=CInChI=1S/C5H7Cl/c1-3-4-5(2)6/h3-4H,2H2,1H3InChIKey=GEZFAYOYZLUQKV-UHFFFAOYSA-N83.0Ex 82.97(BP est) -91.57(MP est) ----(BP exp) ----(MP exp) CC=CC(Cl)=C -91.6PredN
C=CCC(Cl)=C4195102.561C5H7Cl2-chloropenta-1,4-dieneN136C=CCC(Cl)=CInChI=1S/C5H7Cl/c1-3-4-5(2)6/h3H,1-2,4H2InChIKey=ALAQLTXXGQAQOL-UHFFFAOYSA-N73.5Ex 73.47(BP est) -92.69(MP est) ----(BP exp) ----(MP exp) C=CCC(Cl)=C -92.7PredN
ClC(C)C1C=C14196102.561C5H7Cl3-(1-chloroethyl)cycloprop-1-eneN136ClC(C)C1C=C1InChI=1S/C5H7Cl/c1-4(6)5-2-3-5/h2-5H,1H3InChIKey=ZWFFJUGHCPHQJV-UHFFFAOYSA-N92.1Ex 92.06(BP est) -76.67(MP est) ----(BP exp) ----(MP exp) ClC(C)C1C=C1 -76.7PredN
ClCCC1C=C14197102.561C5H7Cl3-(2-chloroethyl)cycloprop-1-eneN136ClCCC1C=C1InChI=1S/C5H7Cl/c6-4-3-5-1-2-5/h1-2,5H,3-4H2InChIKey=CEMKPOPKCBGZFG-UHFFFAOYSA-N119.4Ex 119.40(BP est) -61.19(MP est) ----(BP exp) ----(MP exp) ClCCC1C=C1 -61.2PredN
CC1=CC1CCl4198102.561C5H7Cl3-(chloromethyl)-1-methylcycloprop-1-eneN136CC1=CC1CClInChI=1S/C5H7Cl/c1-4-2-5(4)3-6/h2,5H,3H2,1H3InChIKey=KEHCXBOCPCPLLU-UHFFFAOYSA-N117.4Ex 117.40(BP est) -55.51(MP est) ----(BP exp) ----(MP exp) CC1=CC1CCl -55.5PredN
CC1(CCl)C=C14199102.561C5H7Cl3-(chloromethyl)-3-methylcycloprop-1-eneN136CC1(CCl)C=C1InChI=1S/C5H7Cl/c1-5(4-6)2-3-5/h2-3H,4H2,1H3InChIKey=LOMWUJURNFUDGX-UHFFFAOYSA-N107.0Ex 106.99(BP est) -52.86(MP est) ----(BP exp) ----(MP exp) CC1(CCl)C=C1 -52.9PredN
ClCC1CC=C14200102.561C5H7Cl3-(chloromethyl)cyclobut-1-eneN136ClCC1CC=C1InChI=1S/C5H7Cl/c6-4-5-2-1-3-5/h1-2,5H,3-4H2InChIKey=GUXBJABOBOBSST-UHFFFAOYSA-N121.5Ex 121.53(BP est) -62.32(MP est) ----(BP exp) ----(MP exp) ClCC1CC=C1 -62.3PredN
CC(C1Cl)=C1C4201102.561C5H7Cl3-chloro-1,2-dimethylcycloprop-1-eneN136CC(C1Cl)=C1CInChI=1S/C5H7Cl/c1-3-4(2)5(3)6/h5H,1-2H3InChIKey=IADAGQDXSXZRKI-UHFFFAOYSA-N102.5Ex 102.46(BP est) -53.61(MP est) ----(BP exp) ----(MP exp) CC(C1Cl)=C1C -53.6PredN
CC1=CC1(C)Cl4202102.561C5H7Cl3-chloro-1,3-dimethylcycloprop-1-eneN136CC1=CC1(C)ClInChI=1S/C5H7Cl/c1-4-3-5(4,2)6/h3H,1-2H3InChIKey=MVUQANWNSQKUPP-UHFFFAOYSA-N78.4Ex 78.43(BP est) -54.94(MP est) ----(BP exp) ----(MP exp) CC1=CC1(C)Cl -54.9PredN
CCC1=CC1Cl4203102.561C5H7Cl3-chloro-1-ethylcycloprop-1-eneN136CCC1=CC1ClInChI=1S/C5H7Cl/c1-2-4-3-5(4)6/h3,5H,2H2,1H3InChIKey=IEVOKXHMZAFUKO-UHFFFAOYSA-N104.5Ex 104.51(BP est) -59.27(MP est) ----(BP exp) ----(MP exp) CCC1=CC1Cl -59.3PredN
ClC(C1)C=C1C4204102.561C5H7Cl3-chloro-1-methylcyclobut-1-eneN136ClC(C1)C=C1CInChI=1S/C5H7Cl/c1-4-2-5(6)3-4/h2,5H,3H2,1H3InChIKey=DUMYRMZLUWKULZ-UHFFFAOYSA-N106.7Ex 106.70(BP est) -60.40(MP est) ----(BP exp) ----(MP exp) ClC(C1)C=C1C -60.4PredN
ClC1(CC)C=C14205102.561C5H7Cl3-chloro-3-ethylcycloprop-1-eneN136ClC1(CC)C=C1InChI=1S/C5H7Cl/c1-2-5(6)3-4-5/h3-4H,2H2,1H3InChIKey=XYXLHDAAONMUPG-UHFFFAOYSA-N80.6Ex 80.55(BP est) -60.58(MP est) ----(BP exp) ----(MP exp) ClC1(CC)C=C1 -60.6PredN
ClC(C)(C#C)C4206102.561C5H7Cl3-chloro-3-methylbut-1-yneN136ClC(C)(C#C)CInChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3InChIKey=QSILYWCNPOLKPN-UHFFFAOYSA-N74.8Ex 70.03(BP est) -60.26(MP est) 76.00(BP exp) -61.00(MP exp) ClC(C)(C#C)C -61ExptN
ClC1(CC=C1)C4207102.561C5H7Cl3-chloro-3-methylcyclobut-1-eneN136ClC1(CC=C1)CInChI=1S/C5H7Cl/c1-5(6)3-2-4-5/h2-3H,4H2,1H3InChIKey=JEBOWBMKEBMCDJ-UHFFFAOYSA-N82.8Ex 82.82(BP est) -61.68(MP est) ----(BP exp) ----(MP exp) ClC1(CC=C1)C -61.7PredN
CC1C(Cl)C=C14208102.561C5H7Cl3-chloro-4-methylcyclobut-1-eneN136CC1C(Cl)C=C1InChI=1S/C5H7Cl/c1-4-2-3-5(4)6/h2-5H,1H3InChIKey=JXJZWZVJZVUYSI-UHFFFAOYSA-N101.8Ex 101.83(BP est) -70.20(MP est) ----(BP exp) ----(MP exp) CC1C(Cl)C=C1 -70.2PredN
ClC1CCC=C14209102.561C5H7Cl3-chlorocyclopent-1-eneN136ClC1CCC=C1InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h1,3,5H,2,4H2InChIKey=LPSWJRSLXCPGBK-UHFFFAOYSA-N110.9Ex 110.90(BP est) -67.19(MP est) ----(BP exp) ----(MP exp) ClC1CCC=C1 -67.2PredN
CCC(C#C)Cl4210102.561C5H7Cl3-chloropent-1-yneN136CCC(C#C)ClInChI=1S/C5H7Cl/c1-3-5(6)4-2/h1,5H,4H2,2H3InChIKey=OFMZMTGQSMVBDK-UHFFFAOYSA-N93.3Ex 93.27(BP est) -62.18(MP est) ----(BP exp) ----(MP exp) CCC(C#C)Cl -62.2PredN
CC=C(C=C)Cl4211102.561C5H7Cl3-chloropenta-1,3-dieneN136CC=C(C=C)ClInChI=1S/C5H7Cl/c1-3-5(6)4-2/h3-4H,1H2,2H3InChIKey=TVCSNURGFFKSMT-UHFFFAOYSA-N100.3Ex 82.97(BP est) -91.57(MP est) ----(BP exp) ----(MP exp) CC=C(C=C)Cl -91.6PredN
ClC(C=C)C=C4212102.561C5H7Cl3-chloropenta-1,4-dieneN136ClC(C=C)C=CInChI=1S/C5H7Cl/c1-3-5(6)4-2/h3-5H,1-2H2InChIKey=CHAOZBNIUHFDQF-UHFFFAOYSA-N81.0Ex 81.00(BP est) -91.01(MP est) ----(BP exp) ----(MP exp) ClC(C=C)C=C -91PredN
CC1=CCC1Cl4213102.561C5H7Cl4-chloro-1-methylcyclobut-1-eneN136CC1=CCC1ClInChI=1S/C5H7Cl/c1-4-2-3-5(4)6/h2,5H,3H2,1H3InChIKey=DHYKRKFATXNNHR-UHFFFAOYSA-N106.7Ex 106.70(BP est) -60.40(MP est) ----(BP exp) ----(MP exp) CC1=CCC1Cl -60.4PredN
CC(C#C)CCl4214102.561C5H7Cl4-chloro-3-methylbut-1-yneN136CC(C#C)CClInChI=1S/C5H7Cl/c1-3-5(2)4-6/h1,5H,4H2,2H3InChIKey=UTRVPGKFJHDJKE-UHFFFAOYSA-N106.4Ex 106.38(BP est) -58.35(MP est) ----(BP exp) ----(MP exp) CC(C#C)CCl -58.4PredN
ClC1CC=CC14215102.561C5H7Cl4-chlorocyclopent-1-eneN136ClC1CC=CC1InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h1-2,5H,3-4H2InChIKey=OPIYNVKEBTXQEP-UHFFFAOYSA-N110.9Ex 110.90(BP est) -67.19(MP est) ----(BP exp) ----(MP exp) ClC1CC=CC1 -67.2PredN
ClC(CC#C)C4216102.561C5H7Cl4-chloropent-1-yneN136ClC(CC#C)CInChI=1S/C5H7Cl/c1-3-4-5(2)6/h1,5H,4H2,2H3InChIKey=YAMYMLLSOFQGPB-UHFFFAOYSA-N93.3Ex 93.27(BP est) -62.18(MP est) ----(BP exp) ----(MP exp) ClC(CC#C)C -62.2PredN
CC#CC(C)Cl4217102.561C5H7Cl4-chloropent-2-yneN136CC#CC(C)ClInChI=1S/C5H7Cl/c1-3-4-5(2)6/h5H,1-2H3InChIKey=MTWCOKUQKPONQR-UHFFFAOYSA-N102.3Ex 102.26(BP est) -29.99(MP est) ----(BP exp) ----(MP exp) CC#CC(C)Cl -30PredN
ClC(C)=CC=C4218102.561C5H7Cl4-chloropenta-1,3-dieneN136ClC(C)=CC=CInChI=1S/C5H7Cl/c1-3-4-5(2)6/h3-4H,1H2,2H3InChIKey=BHNCRODUWMJEOF-UHFFFAOYSA-N83.0Ex 82.97(BP est) -91.57(MP est) ----(BP exp) ----(MP exp) ClC(C)=CC=C -91.6PredN
ClC1C2C1CC24219102.561C5H7Cl5-chlorobicyclo[2.1.0]pentaneN136ClC1C2C1CC2InChI=1S/C5H7Cl/c6-5-3-1-2-4(3)5/h3-5H,1-2H2InChIKey=NSEUCIJZOHHTIZ-UHFFFAOYSA-N98.4Ex 98.36(BP est) -59.10(MP est) ----(BP exp) ----(MP exp) ClC1C2C1CC2 -59.1PredN
ClCCCC#C4220102.561C5H7Cl5-chloropent-1-yneN136ClCCCC#CInChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2InChIKey=UXFIKVWAAMKFQE-UHFFFAOYSA-N120.6Ex 120.56(BP est) -46.71(MP est) ----(BP exp) ----(MP exp) ClCCCC#C -46.7PredN
CC#CCCCl4221102.561C5H7Cl5-chloropent-2-yneN136CC#CCCClInChI=1S/C5H7Cl/c1-2-3-4-5-6/h4-5H2,1H3InChIKey=DQDZOBZASPNPDA-UHFFFAOYSA-N129.2Ex 129.17(BP est) -14.64(MP est) ----(BP exp) ----(MP exp) CC#CCCCl -14.6PredN
ClCC=CC=C4222102.561C5H7Cl5-chloropenta-1,3-dieneN136ClCC=CC=CInChI=1S/C5H7Cl/c1-2-3-4-5-6/h2-4H,1,5H2InChIKey=GGYGDEKYYVHFHA-UHFFFAOYSA-N117.8Ex 117.82(BP est) -74.42(MP est) ----(BP exp) ----(MP exp) ClCC=CC=C -74.4PredN
C(Cl)(Cl)(F)4225102.917CHCl2FdichlorofluoromethaneN54C(Cl)(Cl)(F)InChI=1S/CHCl2F/c2-1(3)4/h1HInChIKey=UMNKXPULIDJLSU-UHFFFAOYSA-N8.5Ex 39.75(BP est) -108.58(MP est) 8.90(BP exp) -135.00(MP exp) C(Cl)(Cl)(F) -135ExptN
O=S(C)CC#N4226103.139C3H5NOS2-(methylsulfinyl)acetonitrileN116O=S(C)CC#NInChI=1S/C3H5NOS/c1-6(5)3-2-4/h3H2,1H3InChIKey=PDYQATNUIZPQSW-UHFFFAOYSA-N232.2Ex 232.18(BP est) 18.65(MP est) ----(BP exp) ----(MP exp) O=S(C)CC#N 18.7PredN
S=C(C(C)=O)N4227103.139C3H5NOS2-oxopropanethioamideN116S=C(C(C)=O)NInChI=1S/C3H5NOS/c1-2(5)3(4)6/h1H3,(H2,4,6)InChIKey=CUDPUYMADCMXBY-UHFFFAOYSA-N185.4Ex 185.39(BP est) 28.46(MP est) ----(BP exp) ----(MP exp) S=C(C(C)=O)N 28.5PredN
S=C=NCOC4228103.139C3H5NOSisothiocyanato(methoxy)methaneN116S=C=NCOCInChI=1S/C3H5NOS/c1-5-2-4-3-6/h2H2,1H3InChIKey=SWHVODLGSMJMND-UHFFFAOYSA-N138.4Ex 138.41(BP est) -32.55(MP est) ----(BP exp) ----(MP exp) S=C=NCOC -32.6PredN
S=C1OCCN14229103.139C3H5NOSoxazolidine-2-thioneN116S=C1OCCN1InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)InChIKey=UMURLIQHQSKULR-UHFFFAOYSA-N240.3Ex 240.26(BP est) 44.22(MP est) ----(BP exp) ----(MP exp) S=C1OCCN1 44.2PredY(DNP 2017)
O=C1SCCN14230103.139C3H5NOSthiazolidin-2-oneN116O=C1SCCN1InChI=1S/C3H5NOS/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=SLYRGJDSFOCAAI-UHFFFAOYSA-N267.0Ex 266.95(BP est) 76.35(MP est) ----(BP exp) ----(MP exp) O=C1SCCN1 76.4PredN
S=C1NCNN14232103.143C2H5N3S1,2,4-triazolidine-3-thioneN116S=C1NCNN1InChI=1S/C2H5N3S/c6-2-3-1-4-5-2/h4H,1H2,(H2,3,5,6)InChIKey=TVGORZIXNONOIQ-UHFFFAOYSA-N289.5Ex 289.48(BP est) 94.62(MP est) ----(BP exp) ----(MP exp) S=C1NCNN1 94.6PredN
S=C(N)NN=C4233103.143C2H5N3S2-methylenehydrazine-1-carbothioamideN116S=C(N)NN=CInChI=1S/C2H5N3S/c1-4-5-2(3)6/h1H2,(H3,3,5,6)InChIKey=WRMIJRQJYVDWRZ-UHFFFAOYSA-N185.0Ex 184.99(BP est) 24.46(MP est) ----(BP exp) ----(MP exp) S=C(N)NN=C 24.5PredN
SC(C#N)=S4234103.157C2HNS2carbonocyanidodithioic acidN65SC(C#N)=SInChI=1S/C2HNS2/c3-1-2(4)5/h(H,4,5)InChIKey=LIFQNDHZCABWSO-UHFFFAOYSA-N222.3Ex 222.34(BP est) 17.74(MP est) ----(BP exp) ----(MP exp) SC(C#N)=S 17.7PredN
S1CNCCC14235103.183C4H9NS1,3-thiazinaneN156S1CNCCC1InChI=1S/C4H9NS/c1-2-5-4-6-3-1/h5H,1-4H2InChIKey=HOQOADCYROWGQA-UHFFFAOYSA-N166.9Ex 166.85(BP est) 19.77(MP est) ----(BP exp) ----(MP exp) S1CNCCC1 19.8PredN
S=C(C(C)C)N4236103.183C4H9NS2-methylpropanethioamideN156S=C(C(C)C)NInChI=1S/C4H9NS/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)InChIKey=NPCLRBQYESMUPD-UHFFFAOYSA-N152.3Ex 152.30(BP est) -8.03(MP est) ----(BP exp) ----(MP exp) S=C(C(C)C)N -8PredN
CC1SCCN14237103.183C4H9NS2-methylthiazolidineN156CC1SCCN1InChI=1S/C4H9NS/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3InChIKey=DQMLFUMEBNHPPB-UHFFFAOYSA-N158.6Ex 158.63(BP est) 17.01(MP est) ----(BP exp) ----(MP exp) CC1SCCN1 17PredY(DNP 2017)
NC1(C)CSC14238103.183C4H9NS3-methylthietan-3-amineN156NC1(C)CSC1InChI=1S/C4H9NS/c1-4(5)2-6-3-4/h2-3,5H2,1H3InChIKey=RBHLHYVXPUQTPN-UHFFFAOYSA-N145.9Ex 145.87(BP est) 16.11(MP est) ----(BP exp) ----(MP exp) NC1(C)CSC1 16.1PredN
S=C(CCC)N4239103.183C4H9NSbutanethioamideN156S=C(CCC)NInChI=1S/C4H9NS/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)InChIKey=WPLXTOVHRYJKSG-UHFFFAOYSA-N165.4Ex 165.38(BP est) 3.29(MP est) ----(BP exp) ----(MP exp) S=C(CCC)N 3.3PredN
S=C(C)N(C)C4240103.183C4H9NSN,N-dimethylethanethioamideN156S=C(C)N(C)CInChI=1S/C4H9NS/c1-4(6)5(2)3/h1-3H3InChIKey=LKNQXZAHNDFIQY-UHFFFAOYSA-N128.1Ex 128.12(BP est) -32.99(MP est) ----(BP exp) ----(MP exp) S=C(C)N(C)C -33PredN
NC1CSCC14241103.183C4H9NStetrahydrothiophen-3-amineN156NC1CSCC1InChI=1S/C4H9NS/c5-4-1-2-6-3-4/h4H,1-3,5H2InChIKey=GBNRIMMKLMTDLW-UHFFFAOYSA-N159.5Ex 159.47(BP est) 6.37(MP est) ----(BP exp) ----(MP exp) NC1CSCC1 6.4PredN
NCC1CSC14242103.183C4H9NSthietan-3-ylmethanamineN156NCC1CSC1InChI=1S/C4H9NS/c5-1-4-2-6-3-4/h4H,1-3,5H2InChIKey=RIJUAJZTROUSRH-UHFFFAOYSA-N157.5Ex 157.48(BP est) 7.55(MP est) ----(BP exp) ----(MP exp) NCC1CSC1 7.6PredN
C1CSCCN14243103.183C4H9NSthiomorpholineN156C1CSCCN1InChI=1S/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H2InChIKey=BRNULMACUQOKMR-UHFFFAOYSA-N175.0Ex 166.85(BP est) 19.77(MP est) 175.00(BP exp) ----(MP exp) C1CSCCN1 19.8PredN
ClC12C(N2)CC14246103.549C4H6ClN1-chloro-5-azabicyclo[2.1.0]pentaneN126ClC12C(N2)CC1InChI=1S/C4H6ClN/c5-4-2-1-3(4)6-4/h3,6H,1-2H2InChIKey=SMHJWEDKNFGBME-UHFFFAOYSA-N118.1Ex 118.06(BP est) 7.60(MP est) ----(BP exp) ----(MP exp) ClC12C(N2)CC1 7.6PredN
NC(CC#C)Cl4247103.549C4H6ClN1-chlorobut-3-yn-1-amineN126NC(CC#C)ClInChI=1S/C4H6ClN/c1-2-3-4(5)6/h1,4H,3,6H2InChIKey=DJAAYNGKKIOBOG-UHFFFAOYSA-N132.1Ex 132.13(BP est) -14.84(MP est) ----(BP exp) ----(MP exp) NC(CC#C)Cl -14.8PredN
NC(C#C)CCl4248103.549C4H6ClN1-chlorobut-3-yn-2-amineN126NC(C#C)CClInChI=1S/C4H6ClN/c1-2-4(6)3-5/h1,4H,3,6H2InChIKey=RNXZUNRAJISHOV-UHFFFAOYSA-N144.4Ex 144.43(BP est) -11.25(MP est) ----(BP exp) ----(MP exp) NC(C#C)CCl -11.3PredN
NC1(CC=C1)Cl4249103.549C4H6ClN1-chlorocyclobut-2-en-1-amineN126NC1(CC=C1)ClInChI=1S/C4H6ClN/c5-4(6)2-1-3-4/h1-2H,3,6H2InChIKey=ZJSOWPRBIMDEOA-UHFFFAOYSA-N122.3Ex 122.32(BP est) -14.15(MP est) ----(BP exp) ----(MP exp) NC1(CC=C1)Cl -14.2PredN
CNC(C#C)Cl4250103.549C4H6ClN1-chloro-N-methylprop-2-yn-1-amineN126CNC(C#C)ClInChI=1S/C4H6ClN/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=WKGPRWHQQVNRNK-UHFFFAOYSA-N114.0Ex 114.03(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) CNC(C#C)Cl -35.4PredN
ClC(C)C1=CN14251103.549C4H6ClN2-(1-chloroethyl)-1H-azirineN126ClC(C)C1=CN1InChI=1S/C4H6ClN/c1-3(5)4-2-6-4/h2-3,6H,1H3InChIKey=KOYQIXQFRDMEPP-UHFFFAOYSA-N134.8Ex 134.76(BP est) -8.94(MP est) ----(BP exp) ----(MP exp) ClC(C)C1=CN1 -8.9PredN
ClC(C1CN1)=C4252103.549C4H6ClN2-(1-chlorovinyl)aziridineN126ClC(C1CN1)=CInChI=1S/C4H6ClN/c1-3(5)4-2-6-4/h4,6H,1-2H2InChIKey=DDWIGKDNPHDJIN-UHFFFAOYSA-N118.4Ex 118.36(BP est) -22.85(MP est) ----(BP exp) ----(MP exp) ClC(C1CN1)=C -22.9PredN
ClCCC1=CN14253103.549C4H6ClN2-(2-chloroethyl)-1H-azirineN126ClCCC1=CN1InChI=1S/C4H6ClN/c5-2-1-4-3-6-4/h3,6H,1-2H2InChIKey=YGNZHIMFLWMVTH-UHFFFAOYSA-N160.2Ex 160.21(BP est) 5.99(MP est) ----(BP exp) ----(MP exp) ClCCC1=CN1 6PredN
ClC=CC1CN14254103.549C4H6ClN2-(2-chlorovinyl)aziridineN126ClC=CC1CN1InChI=1S/C4H6ClN/c5-2-1-4-3-6-4/h1-2,4,6H,3H2InChIKey=ACOLGZQPCXVUAS-UHFFFAOYSA-N133.5Ex 133.45(BP est) -13.12(MP est) ----(BP exp) ----(MP exp) ClC=CC1CN1 -13.1PredN
CC(N1)=C1CCl4255103.549C4H6ClN2-(chloromethyl)-3-methyl-1H-azirineN126CC(N1)=C1CClInChI=1S/C4H6ClN/c1-3-4(2-5)6-3/h6H,2H2,1H3InChIKey=WZFBZTFEYRCIEZ-UHFFFAOYSA-N158.4Ex 158.35(BP est) 11.70(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1CCl 11.7PredN
ClC1C2(CC2)N14256103.549C4H6ClN2-chloro-1-azaspiro[2.2]pentaneN126ClC1C2(CC2)N1InChI=1S/C4H6ClN/c5-3-4(6-3)1-2-4/h3,6H,1-2H2InChIKey=YIDBFOAYUSUFAA-UHFFFAOYSA-N130.6Ex 130.62(BP est) 11.27(MP est) ----(BP exp) ----(MP exp) ClC1C2(CC2)N1 11.3PredN
ClC1(C=C)CN14257103.549C4H6ClN2-chloro-2-vinylaziridineN126ClC1(C=C)CN1InChI=1S/C4H6ClN/c1-2-4(5)3-6-4/h2,6H,1,3H2InChIKey=RQGIEUSIFAABDI-UHFFFAOYSA-N114.5Ex 114.47(BP est) -5.06(MP est) ----(BP exp) ----(MP exp) ClC1(C=C)CN1 -5.1PredN
ClC(N1)=C1CC4258103.549C4H6ClN2-chloro-3-ethyl-1H-azirineN126ClC(N1)=C1CCInChI=1S/C4H6ClN/c1-2-3-4(5)6-3/h6H,2H2,1H3InChIKey=JZEJYTNCWAKGKU-UHFFFAOYSA-N132.1Ex 132.12(BP est) 4.05(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1CC 4.1PredN
ClC1C(C=C)N14259103.549C4H6ClN2-chloro-3-vinylaziridineN126ClC1C(C=C)N1InChI=1S/C4H6ClN/c1-2-3-4(5)6-3/h2-4,6H,1H2InChIKey=XXRVSVXHVOUXRM-UHFFFAOYSA-N132.6Ex 132.55(BP est) -13.85(MP est) ----(BP exp) ----(MP exp) ClC1C(C=C)N1 -13.9PredN
ClC1CC2C1N24260103.549C4H6ClN2-chloro-5-azabicyclo[2.1.0]pentaneN126ClC1CC2C1N2InChI=1S/C4H6ClN/c5-2-1-3-4(2)6-3/h2-4,6H,1H2InChIKey=SBDZVVYPAMAVIZ-UHFFFAOYSA-N136.0Ex 136.03(BP est) -1.22(MP est) ----(BP exp) ----(MP exp) ClC1CC2C1N2 -1.2PredN
NCC(C#C)Cl4261103.549C4H6ClN2-chlorobut-3-yn-1-amineN126NCC(C#C)ClInChI=1S/C4H6ClN/c1-2-4(5)3-6/h1,4H,3,6H2InChIKey=DUZZBLUUHAOYMF-UHFFFAOYSA-N132.1Ex 132.13(BP est) -14.84(MP est) ----(BP exp) ----(MP exp) NCC(C#C)Cl -14.8PredN
NC(C)(C#C)Cl4262103.549C4H6ClN2-chlorobut-3-yn-2-amineN126NC(C)(C#C)ClInChI=1S/C4H6ClN/c1-3-4(2,5)6/h1H,6H2,2H3InChIKey=MUPFVYSGSADDDZ-UHFFFAOYSA-N110.3Ex 110.30(BP est) -12.50(MP est) ----(BP exp) ----(MP exp) NC(C)(C#C)Cl -12.5PredN
NC1CC=C1Cl4263103.549C4H6ClN2-chlorocyclobut-2-en-1-amineN126NC1CC=C1ClInChI=1S/C4H6ClN/c5-3-1-2-4(3)6/h1,4H,2,6H2InChIKey=FXRYRAKQAXOFSU-UHFFFAOYSA-N130.4Ex 130.44(BP est) -17.47(MP est) ----(BP exp) ----(MP exp) NC1CC=C1Cl -17.5PredN
NC1CC(Cl)=C14264103.549C4H6ClN3-chlorocyclobut-2-en-1-amineN126NC1CC(Cl)=C1InChI=1S/C4H6ClN/c5-3-1-4(6)2-3/h1,4H,2,6H2InChIKey=OPWHIPVSTGAFOI-UHFFFAOYSA-N130.4Ex 130.44(BP est) -17.47(MP est) ----(BP exp) ----(MP exp) NC1CC(Cl)=C1 -17.5PredN
CNCC#CCl4265103.549C4H6ClN3-chloro-N-methylprop-2-yn-1-amineN126CNCC#CClInChI=1S/C4H6ClN/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=OGKPCVYUCPIJML-UHFFFAOYSA-N122.0Ex 122.04(BP est) 3.98(MP est) ----(BP exp) ----(MP exp) CNCC#CCl 4PredN
ClC1C2(C1)CN24266103.549C4H6ClN4-chloro-1-azaspiro[2.2]pentaneN126ClC1C2(C1)CN2InChI=1S/C4H6ClN/c5-3-1-4(3)2-6-4/h3,6H,1-2H2InChIKey=VHNDLJFUHPFISB-UHFFFAOYSA-N130.6Ex 130.62(BP est) 11.27(MP est) ----(BP exp) ----(MP exp) ClC1C2(C1)CN2 11.3PredN
NCCC#CCl4267103.549C4H6ClN4-chlorobut-3-yn-1-amineN126NCCC#CClInChI=1S/C4H6ClN/c5-3-1-2-4-6/h2,4,6H2InChIKey=RFSGFIMVZBIZGR-UHFFFAOYSA-N139.9Ex 139.89(BP est) 24.49(MP est) ----(BP exp) ----(MP exp) NCCC#CCl 24.5PredN
NC(C#CCl)C4268103.549C4H6ClN4-chlorobut-3-yn-2-amineN126NC(C#CCl)CInChI=1S/C4H6ClN/c1-4(6)2-3-5/h4H,6H2,1H3InChIKey=WBMRKPCEVVRVCQ-UHFFFAOYSA-N126.2Ex 126.18(BP est) 12.99(MP est) ----(BP exp) ----(MP exp) NC(C#CCl)C 13PredN
NC1C(Cl)C=C14269103.549C4H6ClN4-chlorocyclobut-2-en-1-amineN126NC1C(Cl)C=C1InChI=1S/C4H6ClN/c5-3-1-2-4(3)6/h1-4H,6H2InChIKey=QOZHAXSCICKHBQ-UHFFFAOYSA-N140.2Ex 140.16(BP est) -23.01(MP est) ----(BP exp) ----(MP exp) NC1C(Cl)C=C1 -23PredN
ClCNCC#C4270103.549C4H6ClNN-(chloromethyl)prop-2-yn-1-amineN126ClCNCC#CInChI=1S/C4H6ClN/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=KVZKYSSLGITNJP-UHFFFAOYSA-N140.4Ex 140.42(BP est) -20.22(MP est) ----(BP exp) ----(MP exp) ClCNCC#C -20.2PredN
O=PC(F)C#C4284104.02C3H2FOP(1-fluoroprop-2-yn-1-yl)(oxo)phosphaneN86O=PC(F)C#CInChI=1S/C3H2FOP/c1-2-3(4)6-5/h1,3HInChIKey=RYXWLRXIROAIMP-UHFFFAOYSA-N104.9Ex 104.94(BP est) -51.52(MP est) ----(BP exp) ----(MP exp) O=PC(F)C#C -51.5PredN
O=PCC#CF4285104.02C3H2FOP(3-fluoroprop-2-yn-1-yl)(oxo)phosphaneN86O=PCC#CFInChI=1S/C3H2FOP/c4-2-1-3-6-5/h3H2InChIKey=QBMXRGMWJDMVDL-UHFFFAOYSA-N127.8Ex 127.78(BP est) -7.79(MP est) ----(BP exp) ----(MP exp) O=PCC#CF -7.8PredN
O=P1(O)C=CC14286104.045C3H5O2P1-hydroxy-2H-phosphete 1-oxideN116O=P1(O)C=CC1InChI=1S/C3H5O2P/c4-6(5)2-1-3-6/h1-2H,3H2,(H,4,5)InChIKey=VVTMNULLGWWHMB-UHFFFAOYSA-N213.6Ex 213.62(BP est) -10.57(MP est) ----(BP exp) ----(MP exp) O=P1(O)C=CC1 -10.6PredN
O=POCC=C4287104.045C3H5O2Pallyl phospheniteN116O=POCC=CInChI=1S/C3H5O2P/c1-2-3-5-6-4/h2H,1,3H2InChIKey=DDJCVIFQUUQTFR-UHFFFAOYSA-N131.0Ex 131.03(BP est) -49.95(MP est) ----(BP exp) ----(MP exp) O=POCC=C -50PredN
O=P(O)(C)C#C4288104.045C3H5O2Pethynyl(methyl)phosphinic acidN116O=P(O)(C)C#CInChI=1S/C3H5O2P/c1-3-6(2,4)5/h1H,2H3,(H,4,5)InChIKey=LQQKOCUHXWIZMG-UHFFFAOYSA-N209.0Ex 208.96(BP est) 0.09(MP est) ----(BP exp) ----(MP exp) O=P(O)(C)C#C 0.1PredN
O=P(C#C)OC4289104.045C3H5O2Pmethyl ethynylphosphinateN116O=P(C#C)OCInChI=1S/C3H5O2P/c1-3-6(4)5-2/h1,6H,2H3InChIKey=FUZQETGQIZMMAL-UHFFFAOYSA-N138.6Ex 138.58(BP est) -31.57(MP est) ----(BP exp) ----(MP exp) O=P(C#C)OC -31.6PredN
C#CP(O)OC4290104.045C3H5O2Pmethyl hydrogen ethynylphosphoniteN116C#CP(O)OCInChI=1S/C3H5O2P/c1-3-6(4)5-2/h1,4H,2H3InChIKey=FAVFECAABRJSLY-UHFFFAOYSA-N177.0Ex 176.97(BP est) -8.13(MP est) ----(BP exp) ----(MP exp) C#CP(O)OC -8.1PredN
O=P(CC#C)O4291104.045C3H5O2Pprop-2-yn-1-ylphosphinic acidN116O=P(CC#C)OInChI=1S/C3H5O2P/c1-2-3-6(4)5/h1,6H,3H2,(H,4,5)InChIKey=CGDXBIVUIGTTSZ-UHFFFAOYSA-N210.8Ex 210.76(BP est) 8.80(MP est) ----(BP exp) ----(MP exp) O=P(CC#C)O 8.8PredN
O=P(C=C=C)O4293104.045C3H5O2Ppropa-1,2-dien-1-ylphosphinic acidN116O=P(C=C=C)OInChI=1S/C3H5O2P/c1-2-3-6(4)5/h3,6H,1H2,(H,4,5)InChIKey=GQAWTEDCVKWLJB-UHFFFAOYSA-N204.0Ex 203.98(BP est) -14.29(MP est) ----(BP exp) ----(MP exp) O=P(C=C=C)O -14.3PredN
CPC(F)C#C4294104.064C4H6FP(1-fluoroprop-2-yn-1-yl)(methyl)phosphaneN126CPC(F)C#CInChI=1S/C4H6FP/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=VTRRHQANDBWFNI-UHFFFAOYSA-N59.4Ex 59.39(BP est) -84.87(MP est) ----(BP exp) ----(MP exp) CPC(F)C#C -84.9PredN
C=CPC(F)=C4295104.064C4H6FP(1-fluorovinyl)(vinyl)phosphaneN126C=CPC(F)=CInChI=1S/C4H6FP/c1-3-6-4(2)5/h3,6H,1-2H2InChIKey=SYZNHBWVDXNMTH-UHFFFAOYSA-N55.0Ex 55.03(BP est) -110.87(MP est) ----(BP exp) ----(MP exp) C=CPC(F)=C -110.9PredN
C=CPC=CF4296104.064C4H6FP(2-fluorovinyl)(vinyl)phosphaneN126C=CPC=CFInChI=1S/C4H6FP/c1-2-6-4-3-5/h2-4,6H,1H2InChIKey=BSCSHFKFCPZXRF-UHFFFAOYSA-N71.7Ex 71.66(BP est) -100.70(MP est) ----(BP exp) ----(MP exp) C=CPC=CF -100.7PredN
CPCC#CF4297104.064C4H6FP(3-fluoroprop-2-yn-1-yl)(methyl)phosphaneN126CPCC#CFInChI=1S/C4H6FP/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=CUMMWBORSDPFNO-UHFFFAOYSA-N83.9Ex 83.86(BP est) -40.66(MP est) ----(BP exp) ----(MP exp) CPCC#CF -40.7PredN
CP(C)C#CF4298104.064C4H6FP(fluoroethynyl)dimethylphosphaneN126CP(C)C#CFInChI=1S/C4H6FP/c1-6(2)4-3-5/h1-2H3InChIKey=HPVODVRFVVCMOJ-UHFFFAOYSA-N84.8Ex 84.84(BP est) -41.06(MP est) ----(BP exp) ----(MP exp) CP(C)C#CF -41.1PredN
FCPCC#C4299104.064C4H6FP(fluoromethyl)(prop-2-yn-1-yl)phosphaneN126FCPCC#CInChI=1S/C4H6FP/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=WUWBUIYYRMHFTA-UHFFFAOYSA-N74.6Ex 74.60(BP est) -72.93(MP est) ----(BP exp) ----(MP exp) FCPCC#C -72.9PredN
FC(P1CC1)=C4300104.064C4H6FP1-(1-fluorovinyl)phosphiraneN126FC(P1CC1)=CInChI=1S/C4H6FP/c1-4(5)6-2-3-6/h1-3H2InChIKey=OOSRRZUZUOQDBH-UHFFFAOYSA-N67.3Ex 67.32(BP est) -94.24(MP est) ----(BP exp) ----(MP exp) FC(P1CC1)=C -94.2PredN
FC=CP1CC14301104.064C4H6FP1-(2-fluorovinyl)phosphiraneN126FC=CP1CC1InChI=1S/C4H6FP/c5-1-2-6-3-4-6/h1-2H,3-4H2InChIKey=LRQFLTUUIWTFNH-UHFFFAOYSA-N83.7Ex 83.66(BP est) -84.15(MP est) ----(BP exp) ----(MP exp) FC=CP1CC1 -84.2PredN
FCP1C=CC14302104.064C4H6FP1-(fluoromethyl)-1,2-dihydrophospheteN126FCP1C=CC1InChI=1S/C4H6FP/c5-4-6-2-1-3-6/h1-2H,3-4H2InChIKey=YUFZXDWOZOJALQ-UHFFFAOYSA-N81.6Ex 81.57(BP est) -83.60(MP est) ----(BP exp) ----(MP exp) FCP1C=CC1 -83.6PredN
CP1C=CC1F4303104.064C4H6FP2-fluoro-1-methyl-1,2-dihydrophospheteN126CP1C=CC1FInChI=1S/C4H6FP/c1-6-3-2-4(6)5/h2-4H,1H3InChIKey=DRCASECYQMXHKC-UHFFFAOYSA-N74.4Ex 74.37(BP est) -87.82(MP est) ----(BP exp) ----(MP exp) CP1C=CC1F -87.8PredN
FC1CP1C=C4304104.064C4H6FP2-fluoro-1-vinylphosphiraneN126FC1CP1C=CInChI=1S/C4H6FP/c1-2-6-3-4(6)5/h2,4H,1,3H2InChIKey=JURWYQHABRXKPJ-UHFFFAOYSA-N66.9Ex 66.89(BP est) -89.50(MP est) ----(BP exp) ----(MP exp) FC1CP1C=C -89.5PredN
FC1CC=CP14305104.064C4H6FP2-fluoro-2,3-dihydro-1H-phospholeN126FC1CC=CP1InChI=1S/C4H6FP/c5-4-2-1-3-6-4/h1,3-4,6H,2H2InChIKey=SOHGREUSQQCCLE-UHFFFAOYSA-N75.7Ex 75.65(BP est) -88.52(MP est) ----(BP exp) ----(MP exp) FC1CC=CP1 -88.5PredN
CP1C=C(F)C14306104.064C4H6FP3-fluoro-1-methyl-1,2-dihydrophospheteN126CP1C=C(F)C1InChI=1S/C4H6FP/c1-6-2-4(5)3-6/h2H,3H2,1H3InChIKey=WDAHPNAQURKQFT-UHFFFAOYSA-N79.4Ex 79.44(BP est) -77.96(MP est) ----(BP exp) ----(MP exp) CP1C=C(F)C1 -78PredN
FC1C=CPC14307104.064C4H6FP3-fluoro-2,3-dihydro-1H-phospholeN126FC1C=CPC1InChI=1S/C4H6FP/c5-4-1-2-6-3-4/h1-2,4,6H,3H2InChIKey=CMHOLAWSHUIZQT-UHFFFAOYSA-N75.7Ex 75.65(BP est) -88.52(MP est) ----(BP exp) ----(MP exp) FC1C=CPC1 -88.5PredN
CP1C(F)=CC14308104.064C4H6FP4-fluoro-1-methyl-1,2-dihydrophospheteN126CP1C(F)=CC1InChI=1S/C4H6FP/c1-6-3-2-4(6)5/h2H,3H2,1H3InChIKey=CCVJGXJEMHKMNU-UHFFFAOYSA-N79.4Ex 79.44(BP est) -77.96(MP est) ----(BP exp) ----(MP exp) CP1C(F)=CC1 -78PredN
FC1=CPCC14309104.064C4H6FP4-fluoro-2,3-dihydro-1H-phospholeN126FC1=CPCC1InChI=1S/C4H6FP/c5-4-1-2-6-3-4/h3,6H,1-2H2InChIKey=ZTIOAONECORNFV-UHFFFAOYSA-N80.7Ex 80.72(BP est) -78.66(MP est) ----(BP exp) ----(MP exp) FC1=CPCC1 -78.7PredN
FC1=CCCP14310104.064C4H6FP5-fluoro-2,3-dihydro-1H-phospholeN126FC1=CCCP1InChI=1S/C4H6FP/c5-4-2-1-3-6-4/h2,6H,1,3H2InChIKey=GUJJXYDFKPZGNW-UHFFFAOYSA-N80.7Ex 80.72(BP est) -78.66(MP est) ----(BP exp) ----(MP exp) FC1=CCCP1 -78.7PredN
CCPC#CF4311104.064C4H6FPethyl(fluoroethynyl)phosphaneN126CCPC#CFInChI=1S/C4H6FP/c1-2-6-4-3-5/h6H,2H2,1H3InChIKey=VXCNBRCLCSFJCF-UHFFFAOYSA-N83.9Ex 83.86(BP est) -40.66(MP est) ----(BP exp) ----(MP exp) CCPC#CF -40.7PredN
FC(PC#C)C4312104.064C4H6FPethynyl(1-fluoroethyl)phosphaneN126FC(PC#C)CInChI=1S/C4H6FP/c1-3-6-4(2)5/h1,4,6H,2H3InChIKey=UXTGJYIHMBWZBP-UHFFFAOYSA-N59.4Ex 59.39(BP est) -84.87(MP est) ----(BP exp) ----(MP exp) FC(PC#C)C -84.9PredN
FCCPC#C4313104.064C4H6FPethynyl(2-fluoroethyl)phosphaneN126FCCPC#CInChI=1S/C4H6FP/c1-2-6-4-3-5/h1,6H,3-4H2InChIKey=SHNKBYAXLPIFTJ-UHFFFAOYSA-N74.6Ex 74.60(BP est) -72.93(MP est) ----(BP exp) ----(MP exp) FCCPC#C -72.9PredN
CP(CF)C#C4314104.064C4H6FPethynyl(fluoromethyl)(methyl)phosphaneN126CP(CF)C#CInChI=1S/C4H6FP/c1-3-6(2)4-5/h1H,4H2,2H3InChIKey=KFODLOPLQWUDLR-UHFFFAOYSA-N75.6Ex 75.60(BP est) -73.32(MP est) ----(BP exp) ----(MP exp) CP(CF)C#C -73.3PredN
F[Si](F)(F)F4315104.079F4SiperfluorosilaneN55F[Si](F)(F)FInChI=1S/F4Si/c1-5(2,3)4InChIKey=ABTOQLMXBSRXSM-UHFFFAOYSA-N-94.0Ex 441.99(BP est) 135.62(MP est) ----(BP exp) ----(MP exp) F[Si](F)(F)F 135.6PredN
C1CCPOC14316104.089C4H9OP1,2-oxaphosphinaneN156C1CCPOC1InChI=1S/C4H9OP/c1-2-4-6-5-3-1/h6H,1-4H2InChIKey=IRTWXRWGKPXWAV-UHFFFAOYSA-N110.2Ex 110.19(BP est) -65.47(MP est) ----(BP exp) ----(MP exp) C1CCPOC1 -65.5PredN
C1COCCP14317104.089C4H9OP1,4-oxaphosphinaneN156C1COCCP1InChI=1S/C4H9OP/c1-3-6-4-2-5-1/h6H,1-4H2InChIKey=GITFJCIAAOFOPR-UHFFFAOYSA-N110.2Ex 110.19(BP est) -65.47(MP est) ----(BP exp) ----(MP exp) C1COCCP1 -65.5PredN
O=P1(CC)CC14318104.089C4H9OP1-ethylphosphirane 1-oxideN156O=P1(CC)CC1InChI=1S/C4H9OP/c1-2-6(5)3-4-6/h2-4H2,1H3InChIKey=SMGLDGPMJSCHAA-UHFFFAOYSA-N136.0Ex 136.01(BP est) -56.62(MP est) ----(BP exp) ----(MP exp) O=P1(CC)CC1 -56.6PredN
COP1CCC14319104.089C4H9OP1-methoxyphosphetaneN156COP1CCC1InChI=1S/C4H9OP/c1-5-6-3-2-4-6/h2-4H2,1H3InChIKey=JGWQLCOPWOCVSB-UHFFFAOYSA-N101.3Ex 101.28(BP est) -67.40(MP est) ----(BP exp) ----(MP exp) COP1CCC1 -67.4PredN
O=P1(C)CCC14320104.089C4H9OP1-methylphosphetane 1-oxideN156O=P1(C)CCC1InChI=1S/C4H9OP/c1-6(5)3-2-4-6/h2-4H2,1H3InChIKey=MMPLSBOAEGSOCN-UHFFFAOYSA-N138.1Ex 138.08(BP est) -57.77(MP est) ----(BP exp) ----(MP exp) O=P1(C)CCC1 -57.8PredN
C=CCPOC4322104.089C4H9OPallyl(methoxy)phosphaneN156C=CCPOCInChI=1S/C4H9OP/c1-3-4-6-5-2/h3,6H,1,4H2,2H3InChIKey=OSMTZTHGBOZQIC-UHFFFAOYSA-N87.4Ex 87.35(BP est) -82.76(MP est) ----(BP exp) ----(MP exp) C=CCPOC -82.8PredN
O=P(C)CC=C4323104.089C4H9OPallyl(methyl)phosphine oxideN156O=P(C)CC=CInChI=1S/C4H9OP/c1-3-4-6(2)5/h3,6H,1,4H2,2H3InChIKey=FXXFAFFHGNIGSG-UHFFFAOYSA-N128.0Ex 128.02(BP est) -64.49(MP est) ----(BP exp) ----(MP exp) O=P(C)CC=C -64.5PredN
O=P(C=C)(C)C4324104.089C4H9OPdimethyl(vinyl)phosphine oxideN156O=P(C=C)(C)CInChI=1S/C4H9OP/c1-4-6(2,3)5/h4H,1H2,2-3H3InChIKey=UNJLMBCLDIKRCG-UHFFFAOYSA-N125.9Ex 125.90(BP est) -73.30(MP est) ----(BP exp) ----(MP exp) O=P(C=C)(C)C -73.3PredN
O=P(CC)C=C4326104.089C4H9OPethyl(vinyl)phosphine oxideN156O=P(CC)C=CInChI=1S/C4H9OP/c1-3-6(5)4-2/h3,6H,1,4H2,2H3InChIKey=QIAFDZIRSQQBCX-UHFFFAOYSA-N128.0Ex 128.02(BP est) -64.49(MP est) ----(BP exp) ----(MP exp) O=P(CC)C=C -64.5PredN
CC(C)CP=O4327104.089C4H9OPisobutyl(oxo)phosphaneN156CC(C)CP=OInChI=1S/C4H9OP/c1-4(2)3-6-5/h4H,3H2,1-2H3InChIKey=FUHYHJZZGKFGMD-UHFFFAOYSA-N117.9Ex 117.94(BP est) -65.87(MP est) ----(BP exp) ----(MP exp) CC(C)CP=O -65.9PredN
CP(C=C)OC4328104.089C4H9OPmethoxy(methyl)(vinyl)phosphaneN156CP(C=C)OCInChI=1S/C4H9OP/c1-4-6(3)5-2/h4H,1H2,2-3H3InChIKey=ZXSISWVREDRDAC-UHFFFAOYSA-N88.3Ex 88.33(BP est) -83.15(MP est) ----(BP exp) ----(MP exp) CP(C=C)OC -83.2PredN
O=P1CCCC14330104.089C4H9OPphospholane 1-oxideN156O=P1CCCC1InChI=1S/C4H9OP/c5-6-3-1-2-4-6/h6H,1-4H2InChIKey=LHPAUSNAHIWPIC-UHFFFAOYSA-N142.2Ex 142.22(BP est) -50.14(MP est) ----(BP exp) ----(MP exp) O=P1CCCC1 -50.1PredN
O=S1(CC=C1)=O4331104.123C3H4O2S2H-thiete 1,1-dioxideN106O=S1(CC=C1)=OInChI=1S/C3H4O2S/c4-6(5)2-1-3-6/h1-2H,3H2InChIKey=SYHFISYHXDUGDV-UHFFFAOYSA-N178.9Ex 178.89(BP est) 7.07(MP est) ----(BP exp) ----(MP exp) O=S1(CC=C1)=O 7.1PredN
CC(CP)CC4332104.133C5H13P(2-methylbutyl)phosphaneN196CC(CP)CCInChI=1S/C5H13P/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3InChIKey=GTEKEEJCXLPFOE-UHFFFAOYSA-N94.5Ex 94.47(BP est) -84.59(MP est) ----(BP exp) ----(MP exp) CC(CP)CC -84.6PredN
CC(C(P)C)C4333104.133C5H13P(3-methylbutan-2-yl)phosphaneN196CC(C(P)C)CInChI=1S/C5H13P/c1-4(2)5(3)6/h4-5H,6H2,1-3H3InChIKey=RNBIOVUVWBXXSQ-UHFFFAOYSA-N79.7Ex 79.70(BP est) -96.40(MP est) ----(BP exp) ----(MP exp) CC(C(P)C)C -96.4PredN
CPCCCC4334104.133C5H13Pbutyl(methyl)phosphaneN196CPCCCCInChI=1S/C5H13P/c1-3-4-5-6-2/h6H,3-5H2,1-2H3InChIKey=CGCDZBJYFKZTOK-UHFFFAOYSA-N112.7Ex 88.22(BP est) -87.10(MP est) ----(BP exp) ----(MP exp) CPCCCC -87.1PredN
CP(CC)CC4335104.133C5H13Pdiethyl(methyl)phosphaneN196CP(CC)CCInChI=1S/C5H13P/c1-4-6(3)5-2/h4-5H2,1-3H3InChIKey=HZHUAESPXGNNFV-UHFFFAOYSA-N89.2Ex 89.20(BP est) -87.50(MP est) ----(BP exp) ----(MP exp) CP(CC)CC -87.5PredN
CP(CCC)C4336104.133C5H13Pdimethyl(propyl)phosphaneN196CP(CCC)CInChI=1S/C5H13P/c1-4-5-6(2)3/h4-5H2,1-3H3InChIKey=QVTPAZHGNYBKHE-UHFFFAOYSA-N89.2Ex 89.20(BP est) -87.50(MP est) ----(BP exp) ----(MP exp) CP(CCC)C -87.5PredN
CCPC(C)C4337104.133C5H13Pethyl(isopropyl)phosphaneN196CCPC(C)CInChI=1S/C5H13P/c1-4-6-5(2)3/h5-6H,4H2,1-3H3InChIKey=PKSTZFIOJBHFBG-UHFFFAOYSA-N73.3Ex 73.31(BP est) -98.95(MP est) ----(BP exp) ----(MP exp) CCPC(C)C -99PredN
CCPCCC4338104.133C5H13Pethyl(propyl)phosphaneN196CCPCCCInChI=1S/C5H13P/c1-3-5-6-4-2/h6H,3-5H2,1-2H3InChIKey=XRGVARIXAZJNBF-UHFFFAOYSA-N88.2Ex 88.22(BP est) -87.10(MP est) ----(BP exp) ----(MP exp) CCPCCC -87.1PredN
CC(CPC)C4339104.133C5H13Pisobutyl(methyl)phosphaneN196CC(CPC)CInChI=1S/C5H13P/c1-5(2)4-6-3/h5-6H,4H2,1-3H3InChIKey=MVHMOITUWIHVKU-UHFFFAOYSA-N73.3Ex 73.31(BP est) -98.95(MP est) ----(BP exp) ----(MP exp) CC(CPC)C -99PredN
CC(CCP)C4340104.133C5H13PisopentylphosphaneN196CC(CCP)CInChI=1S/C5H13P/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3InChIKey=PHUQBBUNZUCQRK-UHFFFAOYSA-N94.5Ex 94.47(BP est) -84.59(MP est) ----(BP exp) ----(MP exp) CC(CCP)C -84.6PredN
CP(C(C)C)C4341104.133C5H13PisopropyldimethylphosphaneN196CP(C(C)C)CInChI=1S/C5H13P/c1-5(2)6(3)4/h5H,1-4H3InChIKey=DDTJHNQEGUTUIJ-UHFFFAOYSA-N74.3Ex 74.31(BP est) -99.35(MP est) ----(BP exp) ----(MP exp) CP(C(C)C)C -99.4PredN
CC(C)(CP)C4342104.133C5H13PneopentylphosphaneN196CC(C)(CP)CInChI=1S/C5H13P/c1-5(2,3)4-6/h4,6H2,1-3H3InChIKey=HJPQKYUERLEXPG-UHFFFAOYSA-N84.8Ex 84.79(BP est) -78.71(MP est) ----(BP exp) ----(MP exp) CC(C)(CP)C -78.7PredN
CC(P)CCC4343104.133C5H13Ppentan-2-ylphosphaneN196CC(P)CCCInChI=1S/C5H13P/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3InChIKey=QJVNPOHYEQDGJB-UHFFFAOYSA-N94.5Ex 94.47(BP est) -84.59(MP est) ----(BP exp) ----(MP exp) CC(P)CCC -84.6PredN
CCC(P)CC4344104.133C5H13Ppentan-3-ylphosphaneN196CCC(P)CCInChI=1S/C5H13P/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3InChIKey=ITLYXTVUKSXJOR-UHFFFAOYSA-N94.5Ex 94.47(BP est) -84.59(MP est) ----(BP exp) ----(MP exp) CCC(P)CC -84.6PredN
CCCCCP4345104.133C5H13PpentylphosphaneN196CCCCCPInChI=1S/C5H13P/c1-2-3-4-5-6/h2-6H2,1H3InChIKey=WEYHWRWGAACKIL-UHFFFAOYSA-N104.0Ex 108.91(BP est) -72.87(MP est) ----(BP exp) ----(MP exp) CCCCCP -72.9PredN
CPC(CC)C4346104.133C5H13Psec-butyl(methyl)phosphaneN196CPC(CC)CInChI=1S/C5H13P/c1-4-5(2)6-3/h5-6H,4H2,1-3H3InChIKey=UVXWUIULOPKNHM-UHFFFAOYSA-N73.3Ex 73.31(BP est) -98.95(MP est) ----(BP exp) ----(MP exp) CPC(CC)C -99PredN
CPC(C)(C)C4347104.133C5H13Ptert-butyl(methyl)phosphaneN196CPC(C)(C)CInChI=1S/C5H13P/c1-5(2,3)6-4/h6H,1-4H3InChIKey=ZDQSBZHWCMBILH-UHFFFAOYSA-N63.3Ex 63.33(BP est) -93.16(MP est) ----(BP exp) ----(MP exp) CPC(C)(C)C -93.2PredN
CC(CC)(P)C4348104.133C5H13Ptert-pentylphosphaneN196CC(CC)(P)CInChI=1S/C5H13P/c1-4-5(2,3)6/h4,6H2,1-3H3InChIKey=FVVJVPOBXNQTGR-UHFFFAOYSA-N84.8Ex 84.79(BP est) -78.71(MP est) ----(BP exp) ----(MP exp) CC(CC)(P)C -78.7PredN
CSC(F)(C#C)4349104.142C4H5FS(1-fluoroprop-2-yn-1-yl)(methyl)sulfaneN116CSC(F)(C#C)InChI=1S/C4H5FS/c1-3-4(5)6-2/h1,4H,2H3InChIKey=BKAVZJDLXBHOLP-UHFFFAOYSA-N89.2Ex 89.16(BP est) -66.48(MP est) ----(BP exp) ----(MP exp) CSC(F)(C#C) -66.5PredN
C=CSC(F)=C4350104.142C4H5FS(1-fluorovinyl)(vinyl)sulfaneN116C=CSC(F)=CInChI=1S/C4H5FS/c1-3-6-4(2)5/h3H,1-2H2InChIKey=WJJHSBOYPMEPIA-UHFFFAOYSA-N85.0Ex 84.98(BP est) -92.42(MP est) ----(BP exp) ----(MP exp) C=CSC(F)=C -92.4PredN
C=CSC=C(F)4351104.142C4H5FS(2-fluorovinyl)(vinyl)sulfaneN116C=CSC=C(F)InChI=1S/C4H5FS/c1-2-6-4-3-5/h2-4H,1H2InChIKey=JLHMZXIGANOOKD-UHFFFAOYSA-N100.9Ex 100.91(BP est) -82.46(MP est) ----(BP exp) ----(MP exp) C=CSC=C(F) -82.5PredN
C(F)C#CSC4352104.142C4H5FS(3-fluoroprop-1-yn-1-yl)(methyl)sulfaneN116C(F)C#CSCInChI=1S/C4H5FS/c1-6-4-2-3-5/h3H2,1H3InChIKey=CQDXBRYXMICHLF-UHFFFAOYSA-N112.6Ex 112.58(BP est) -22.58(MP est) ----(BP exp) ----(MP exp) C(F)C#CSC -22.6PredN
CSC(C#CF)4353104.142C4H5FS(3-fluoroprop-2-yn-1-yl)(methyl)sulfaneN116CSC(C#CF)InChI=1S/C4H5FS/c1-6-4-2-3-5/h4H2,1H3InChIKey=UJQALONMPOWBRP-UHFFFAOYSA-N112.6Ex 112.58(BP est) -22.58(MP est) ----(BP exp) ----(MP exp) CSC(C#CF) -22.6PredN
CC#CSC(F)4354104.142C4H5FS(fluoromethyl)(prop-1-yn-1-yl)sulfaneN116CC#CSC(F)InChI=1S/C4H5FS/c1-2-3-6-4-5/h4H2,1H3InChIKey=GRPMOBRRMPCFIH-UHFFFAOYSA-N112.6Ex 112.58(BP est) -22.58(MP est) ----(BP exp) ----(MP exp) CC#CSC(F) -22.6PredN
C(F)SC(C#C)4355104.142C4H5FS(fluoromethyl)(prop-2-yn-1-yl)sulfaneN116C(F)SC(C#C)InChI=1S/C4H5FS/c1-2-3-6-4-5/h1H,3-4H2InChIKey=KEUPASIVYCTELY-UHFFFAOYSA-N103.7Ex 103.73(BP est) -54.73(MP est) ----(BP exp) ----(MP exp) C(F)SC(C#C) -54.7PredN
FC12C(S2)CC14356104.142C4H5FS1-fluoro-5-thiabicyclo[2.1.0]pentaneN116FC12C(S2)CC1InChI=1S/C4H5FS/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=WZJDOYZGXOGCNW-UHFFFAOYSA-N85.8Ex 85.83(BP est) -30.26(MP est) ----(BP exp) ----(MP exp) FC12C(S2)CC1 -30.3PredN
SC(F)(CC#C)4357104.142C4H5FS1-fluorobut-3-yne-1-thiolN116SC(F)(CC#C)InChI=1S/C4H5FS/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=HZEFLCOTSKKZME-UHFFFAOYSA-N103.7Ex 103.66(BP est) -61.22(MP est) ----(BP exp) ----(MP exp) SC(F)(CC#C) -61.2PredN
SC(CF)(C#C)4358104.142C4H5FS1-fluorobut-3-yne-2-thiolN116SC(CF)(C#C)InChI=1S/C4H5FS/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=GWSLAUANFWCOQL-UHFFFAOYSA-N103.7Ex 103.66(BP est) -61.22(MP est) ----(BP exp) ----(MP exp) SC(CF)(C#C) -61.2PredN
SC(F)(C1)(C=C1)4359104.142C4H5FS1-fluorocyclobut-2-ene-1-thiolN116SC(F)(C1)(C=C1)InChI=1S/C4H5FS/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=OQCPBMWDBCAGOJ-UHFFFAOYSA-N106.5Ex 106.45(BP est) -56.85(MP est) ----(BP exp) ----(MP exp) SC(F)(C1)(C=C1) -56.9PredN
FC(C)C1=CS14360104.142C4H5FS2-(1-fluoroethyl)thiireneN116FC(C)C1=CS1InChI=1S/C4H5FS/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=JQHHNMDKIZIOAR-UHFFFAOYSA-N90.3Ex 90.27(BP est) -50.39(MP est) ----(BP exp) ----(MP exp) FC(C)C1=CS1 -50.4PredN
FC(C1CS1)=C4361104.142C4H5FS2-(1-fluorovinyl)thiiraneN116FC(C1CS1)=CInChI=1S/C4H5FS/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=LAXQRYRIZAJAJT-UHFFFAOYSA-N88.3Ex 88.32(BP est) -60.08(MP est) ----(BP exp) ----(MP exp) FC(C1CS1)=C -60.1PredN
FCCC1=CS14362104.142C4H5FS2-(2-fluoroethyl)thiireneN116FCCC1=CS1InChI=1S/C4H5FS/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=RMXVGFJPRFRVIS-UHFFFAOYSA-N104.8Ex 104.81(BP est) -38.64(MP est) ----(BP exp) ----(MP exp) FCCC1=CS1 -38.6PredN
FC=CC1CS14363104.142C4H5FS2-(2-fluorovinyl)thiiraneN116FC=CC1CS1InChI=1S/C4H5FS/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=WSDWPRKDEUBUKE-UHFFFAOYSA-N104.2Ex 104.16(BP est) -50.13(MP est) ----(BP exp) ----(MP exp) FC=CC1CS1 -50.1PredN
CC(S1)=C1CF4364104.142C4H5FS2-(fluoromethyl)-3-methylthiireneN116CC(S1)=C1CFInChI=1S/C4H5FS/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=JUOKVMWEUAMDNZ-UHFFFAOYSA-N102.8Ex 102.76(BP est) -32.98(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1CF -33PredN
FC(S1)=C1CC4365104.142C4H5FS2-ethyl-3-fluorothiireneN116FC(S1)=C1CCInChI=1S/C4H5FS/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=WDTVOYCJDSDYGD-UHFFFAOYSA-N102.8Ex 102.76(BP est) -32.98(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1CC -33PredN
FC1C2(CC2)S14366104.142C4H5FS2-fluoro-1-thiaspiro[2.2]pentaneN116FC1C2(CC2)S1InChI=1S/C4H5FS/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=IQZCUNCJOOHEBD-UHFFFAOYSA-N85.8Ex 85.83(BP est) -30.26(MP est) ----(BP exp) ----(MP exp) FC1C2(CC2)S1 -30.3PredN
FC1(C=C)CS14367104.142C4H5FS2-fluoro-2-vinylthiiraneN116FC1(C=C)CS1InChI=1S/C4H5FS/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=UHCAMKVGACKFOX-UHFFFAOYSA-N82.1Ex 82.05(BP est) -42.98(MP est) ----(BP exp) ----(MP exp) FC1(C=C)CS1 -43PredN
FC1C(C=C)S14368104.142C4H5FS2-fluoro-3-vinylthiiraneN116FC1C(C=C)S1InChI=1S/C4H5FS/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=GFEYJDFFVCUCJQ-UHFFFAOYSA-N87.9Ex 87.90(BP est) -55.34(MP est) ----(BP exp) ----(MP exp) FC1C(C=C)S1 -55.3PredN
FC1CC2C1S24369104.142C4H5FS2-fluoro-5-thiabicyclo[2.1.0]pentaneN116FC1CC2C1S2InChI=1S/C4H5FS/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=JQZRRIOJOMTFML-UHFFFAOYSA-N91.6Ex 91.64(BP est) -42.64(MP est) ----(BP exp) ----(MP exp) FC1CC2C1S2 -42.6PredN
SC(C(F)C#C)4370104.142C4H5FS2-fluorobut-3-yne-1-thiolN116SC(C(F)C#C)InChI=1S/C4H5FS/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=YFNPREXNRFBIQD-UHFFFAOYSA-N103.7Ex 103.66(BP est) -61.22(MP est) ----(BP exp) ----(MP exp) SC(C(F)C#C) -61.2PredN
SC(F)(C)(C#C)4371104.142C4H5FS2-fluorobut-3-yne-2-thiolN116SC(F)(C)(C#C)InChI=1S/C4H5FS/c1-3-4(2,5)6/h1,6H,2H3InChIKey=LYYDSMDZJFKQSQ-UHFFFAOYSA-N94.1Ex 94.12(BP est) -55.29(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(C#C) -55.3PredN
SC(C1)(C(F)=C1)4372104.142C4H5FS2-fluorocyclobut-2-ene-1-thiolN116SC(C1)(C(F)=C1)InChI=1S/C4H5FS/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=YTOOAKBSZSPHDZ-UHFFFAOYSA-N116.9Ex 116.87(BP est) -59.50(MP est) ----(BP exp) ----(MP exp) SC(C1)(C(F)=C1) -59.5PredN
SC(C1)(C=C1F)4373104.142C4H5FS3-fluorocyclobut-2-ene-1-thiolN116SC(C1)(C=C1F)InChI=1S/C4H5FS/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=KORVSJWUHNBKIM-UHFFFAOYSA-N116.9Ex 116.87(BP est) -59.50(MP est) ----(BP exp) ----(MP exp) SC(C1)(C=C1F) -59.5PredN
FC1C2(C1)CS24374104.142C4H5FS4-fluoro-1-thiaspiro[2.2]pentaneN116FC1C2(C1)CS2InChI=1S/C4H5FS/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=DIXXIIVXLUBVPX-UHFFFAOYSA-N85.8Ex 85.83(BP est) -30.26(MP est) ----(BP exp) ----(MP exp) FC1C2(C1)CS2 -30.3PredN
SC(CC#CF)4375104.142C4H5FS4-fluorobut-3-yne-1-thiolN116SC(CC#CF)InChI=1S/C4H5FS/c5-3-1-2-4-6/h6H,2,4H2InChIKey=RVGQHTLUOPBFBM-UHFFFAOYSA-N126.5Ex 126.54(BP est) -17.47(MP est) ----(BP exp) ----(MP exp) SC(CC#CF) -17.5PredN
SC(C)(C#CF)4376104.142C4H5FS4-fluorobut-3-yne-2-thiolN116SC(C)(C#CF)InChI=1S/C4H5FS/c1-4(6)2-3-5/h4,6H,1H3InChIKey=WJOORZKZCHQFME-UHFFFAOYSA-N112.5Ex 112.51(BP est) -29.07(MP est) ----(BP exp) ----(MP exp) SC(C)(C#CF) -29.1PredN
SC(C1F)(C=C1)4377104.142C4H5FS4-fluorocyclobut-2-ene-1-thiolN116SC(C1F)(C=C1)InChI=1S/C4H5FS/c5-3-1-2-4(3)6/h1-4,6HInChIKey=QLZVFJRDXQQFDZ-UHFFFAOYSA-N112.1Ex 112.08(BP est) -69.27(MP est) ----(BP exp) ----(MP exp) SC(C1F)(C=C1) -69.3PredN
F[Si]1(O)CC=C14378104.155C3H5FOSi1-fluoro-1,2-dihydrosilet-1-olN116F[Si]1(O)CC=C1InChI=1S/C3H5FOSi/c4-6(5)2-1-3-6/h1-2,5H,3H2InChIKey=HJFDYRXYXBWCMP-UHFFFAOYSA-N109.6Ex 109.62(BP est) -13.02(MP est) ----(BP exp) ----(MP exp) F[Si]1(O)CC=C1 -13PredN
F[Si](C#C)(O)C4379104.155C3H5FOSiethynylfluoro(methyl)silanolN116F[Si](C#C)(O)CInChI=1S/C3H5FOSi/c1-3-6(2,4)5/h1,5H,2H3InChIKey=HABDZFONCOZGBE-UHFFFAOYSA-N117.7Ex 117.68(BP est) -39.15(MP est) ----(BP exp) ----(MP exp) F[Si](C#C)(O)C -39.2PredN
O=C(C)CSC4380104.167C4H8OS1-(methylthio)propan-2-oneN146O=C(C)CSCInChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3InChIKey=UKFADLGENFFWHR-UHFFFAOYSA-N138.6Ex 138.64(BP est) -43.35(MP est) ----(BP exp) ----(MP exp) O=C(C)CSC -43.4PredN
C1COCSC14381104.167C4H8OS1,3-oxathianeN146C1COCSC1InChI=1S/C4H8OS/c1-2-5-4-6-3-1/h1-4H2InChIKey=QVFHFKPGBODJJB-UHFFFAOYSA-N137.4Ex 137.35(BP est) -28.07(MP est) ----(BP exp) ----(MP exp) C1COCSC1 -28.1PredN
O1CCSCC14382104.167C4H8OS1,4-oxathianeN146O1CCSCC1InChI=1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2InChIKey=JBYHSSAVUBIJMK-UHFFFAOYSA-N148.2Ex 137.35(BP est) -28.07(MP est) 147.00(BP exp) ----(MP exp) O1CCSCC1 -28.1PredN
CSCC1OC14383104.167C4H8OS2-((methylthio)methyl)oxiraneN146CSCC1OC1InChI=1S/C4H8OS/c1-6-3-4-2-5-4/h4H,2-3H2,1H3InChIKey=OSIXFNQHNPOVIA-UHFFFAOYSA-N127.0Ex 126.96(BP est) -49.47(MP est) ----(BP exp) ----(MP exp) CSCC1OC1 -49.5PredN
CCSCC=O4384104.167C4H8OS2-(ethylthio)acetaldehydeN146CCSCC=OInChI=1S/C4H8OS/c1-2-6-4-3-5/h3H,2,4H2,1H3InChIKey=HFBNUVNBTPEIRY-UHFFFAOYSA-N151.6Ex 151.59(BP est) -43.53(MP est) ----(BP exp) ----(MP exp) CCSCC=O -43.5PredN
OCCSC=C4385104.167C4H8OS2-(vinylthio)ethan-1-olN146OCCSC=CInChI=1S/C4H8OS/c1-2-6-4-3-5/h2,5H,1,3-4H2InChIKey=CJDXLHTYSXHWDC-UHFFFAOYSA-N176.0Ex 175.98(BP est) -27.88(MP est) ----(BP exp) ----(MP exp) OCCSC=C -27.9PredN
CSC1COC14386104.167C4H8OS3-(methylthio)oxetaneN146CSC1COC1InChI=1S/C4H8OS/c1-6-4-2-5-3-4/h4H,2-3H2,1H3InChIKey=DSBLNGNIKQEOSV-UHFFFAOYSA-N129.1Ex 129.06(BP est) -50.62(MP est) ----(BP exp) ----(MP exp) CSC1COC1 -50.6PredN
O=CCCSC4387104.167C4H8OS3-(methylthio)propanalN146O=CCCSCInChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3InChIKey=CLUWOWRTHNNBBU-UHFFFAOYSA-N165.0Ex 151.59(BP est) -43.53(MP est) 165.00(BP exp) ----(MP exp) O=CCCSC -43.5PredY(Fox and Wallace. 1997)
SC(C(C)=O)C4388104.167C4H8OS3-mercaptobutan-2-oneN146SC(C(C)=O)CInChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3InChIKey=XLMPYCGSRHSSSX-UHFFFAOYSA-N138.6Ex 138.57(BP est) -49.84(MP est) ----(BP exp) ----(MP exp) SC(C(C)=O)C -49.8PredY(The Good Scents Company)
COC1CSC14389104.167C4H8OS3-methoxythietaneN146COC1CSC1InChI=1S/C4H8OS/c1-5-4-2-6-3-4/h4H,2-3H2,1H3InChIKey=RTZXOYWQMBKWJN-UHFFFAOYSA-N121.2Ex 121.22(BP est) -33.55(MP est) ----(BP exp) ----(MP exp) COC1CSC1 -33.6PredN
OC(CCC)=S4390104.167C4H8OSbutanethioic O-acidN146OC(CCC)=SInChI=1S/C4H8OS/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)InChIKey=DGAODIKUWGRDBO-UHFFFAOYSA-N130.0Ex 171.83(BP est) -6.05(MP est) ----(BP exp) ----(MP exp) OC(CCC)=S -6.1PredY(Boustie et al. 2005)
S=C(C)OCC4391104.167C4H8OSO-ethyl ethanethioateN146S=C(C)OCCInChI=1S/C4H8OS/c1-3-5-4(2)6/h3H2,1-2H3InChIKey=IEPFHYMMMGMRNF-UHFFFAOYSA-N129.7Ex 129.65(BP est) -37.66(MP est) ----(BP exp) ----(MP exp) S=C(C)OCC -37.7PredN
CC(SCC)=O4392104.167C4H8OSS-ethyl ethanethioateN146CC(SCC)=OInChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3InChIKey=APTGPWJUOYMUCE-UHFFFAOYSA-N115.0Ex 138.64(BP est) -43.35(MP est) 116.40(BP exp) ----(MP exp) CC(SCC)=O -43.4PredY(Swiegers and Pretorius 2005)
O=C(SC)CC4393104.167C4H8OSS-methyl propanethioateN146O=C(SC)CCInChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3InChIKey=AIILTVHCLAEMDA-UHFFFAOYSA-N119.8Ex 138.64(BP est) -43.35(MP est) ----(BP exp) ----(MP exp) O=C(SC)CC -43.4PredY(Romoli et al. 2014)
[H][C@]1(O)CSCC14394104.167C4H8OStetrahydrothiophen-3-olN146[H][C@]1(O)CSCC1InChI=1S/C4H8OS/c5-4-1-2-6-3-4/h4-5H,1-3H2InChIKey=BJYXNFYVCZIXQC-UHFFFAOYSA-N175.9Ex 175.89(BP est) -0.05(MP est) ----(BP exp) ----(MP exp) [H][C@]1(O)CSCC1 -0.1PredN
O=S1CCCC14395104.167C4H8OStetrahydrothiophene 1-oxideN146O=S1CCCC1InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2InChIKey=ISXOBTBCNRIIQO-UHFFFAOYSA-N236.0Ex 184.18(BP est) -12.89(MP est) 235.00(BP exp) ----(MP exp) O=S1CCCC1 -12.9PredN
OCC1CSC14396104.167C4H8OSthietan-3-ylmethanolN146OCC1CSC1InChI=1S/C4H8OS/c5-1-4-2-6-3-4/h4-5H,1-3H2InChIKey=WTRVLKQKYDECIP-UHFFFAOYSA-N180.7Ex 180.73(BP est) 3.12(MP est) ----(BP exp) ----(MP exp) OCC1CSC1 3.1PredN
NC(N(C)C)=S4397104.171C3H8N2S1,1-dimethylthioureaN146NC(N(C)C)=SInChI=1S/C3H8N2S/c1-5(2)3(4)6/h1-2H3,(H2,4,6)InChIKey=ZQGWBPQBZHMUFG-UHFFFAOYSA-N164.8Ex 164.78(BP est) 13.71(MP est) ----(BP exp) ----(MP exp) NC(N(C)C)=S 13.7PredY(de Lacy Costello et al. 2014)
CNC(NC)=S4398104.171C3H8N2S1,3-dimethylthioureaN146CNC(NC)=SInChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)InChIKey=VLCDUOXHFNUCKK-UHFFFAOYSA-N167.3Ex 167.25(BP est) 9.23(MP est) ----(BP exp) 62.00(MP exp) CNC(NC)=S 62ExptN
NC(NCC)=S4399104.171C3H8N2S1-ethylthioureaN146NC(NCC)=SInChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)InChIKey=GMEHFXXZSWDEDB-UHFFFAOYSA-N183.7Ex 183.67(BP est) 29.32(MP est) ----(BP exp) 112.00(MP exp) NC(NCC)=S 112ExptN
CSC=C(N)N4400104.171C3H8N2S2-(methylthio)ethene-1,1-diamineN146CSC=C(N)NInChI=1S/C3H8N2S/c1-6-2-3(4)5/h2H,4-5H2,1H3InChIKey=QUBUDYQOJUNCQA-UHFFFAOYSA-N189.8Ex 189.79(BP est) 14.72(MP est) ----(BP exp) ----(MP exp) CSC=C(N)N 14.7PredN
S=C(C(C)N)N4401104.171C3H8N2S2-aminopropanethioamideN146S=C(C(C)N)NInChI=1S/C3H8N2S/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)InChIKey=DFOUVXZLAJTTNU-UHFFFAOYSA-N187.4Ex 187.35(BP est) 16.96(MP est) ----(BP exp) ----(MP exp) S=C(C(C)N)N 17PredN
S=C(CCN)N4402104.171C3H8N2S3-aminopropanethioamideN146S=C(CCN)NInChI=1S/C3H8N2S/c4-2-1-3(5)6/h1-2,4H2,(H2,5,6)InChIKey=GJOIQSQHPIBZCD-UHFFFAOYSA-N199.5Ex 199.53(BP est) 26.05(MP est) ----(BP exp) ----(MP exp) S=C(CCN)N 26.1PredN
CCSC(N)=N4403104.171C3H8N2Sethyl carbamimidothioateN146CCSC(N)=NInChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)InChIKey=VFIZBHJTOHUOEK-UHFFFAOYSA-N196.2Ex 196.21(BP est) 18.88(MP est) ----(BP exp) ----(MP exp) CCSC(N)=N 18.9PredN
CSC(NC)=N4404104.171C3H8N2Smethyl methylcarbamimidothioateN146CSC(NC)=NInChI=1S/C3H8N2S/c1-5-3(4)6-2/h1-2H3,(H2,4,5)InChIKey=MVEAMNWCFZZFCL-UHFFFAOYSA-N180.2Ex 180.23(BP est) -1.09(MP est) ----(BP exp) ----(MP exp) CSC(NC)=N -1.1PredN
OCC[N+](C)(C)C4405104.172C5H14NO+2-hydroxy-N,N,N-trimethylethan-1-aminiumN206OCC[N+](C)(C)CInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1InChIKey=OEYIOHPDSNJKLS-UHFFFAOYSA-N364.6Ex 364.56(BP est) 134.66(MP est) ----(BP exp) ----(MP exp) OCC[N+](C)(C)C 134.7PredY(Irwin et al. 2012, ExPaSy 2015)
O[Si]1(OC)CC14406104.18C3H8O2Si1-methoxysiliran-1-olN146O[Si]1(OC)CC1InChI=1S/C3H8O2Si/c1-5-6(4)2-3-6/h4H,2-3H2,1H3InChIKey=AFEGKPLXZHOSEU-UHFFFAOYSA-N126.4Ex 126.38(BP est) 4.07(MP est) ----(BP exp) ----(MP exp) O[Si]1(OC)CC1 4.1PredN
C1SC=CS14407104.185C3H4S21,3-dithioleN95C1SC=CS1InChI=1S/C3H4S2/c1-2-5-3-4-1/h1-2H,3H2InChIKey=IVJFXSLMUSQZMC-UHFFFAOYSA-N149.1Ex 149.11(BP est) -2.69(MP est) ----(BP exp) ----(MP exp) C1SC=CS1 -2.7PredY(Gu et al. 2013)
C1C=CSS14408104.185C3H4S23H-1,2-dithioleN95C1C=CSS1InChI=1S/C3H4S2/c1-2-4-5-3-1/h1-2H,3H2InChIKey=PCGDBWLKAYKBTN-UHFFFAOYSA-N149.1Ex 149.11(BP est) -2.69(MP est) ----(BP exp) ----(MP exp) C1C=CSS1 -2.7PredN
S=CCC=S4409104.185C3H4S2propanedithialN95S=CCC=SInChI=1S/C3H4S2/c4-2-1-3-5/h2-3H,1H2InChIKey=XSHAYXMCCUFYNF-UHFFFAOYSA-N5.8Ex 5.83(BP est) -116.09(MP est) ----(BP exp) ----(MP exp) S=CCC=S -116.1PredY(Fox and Wallace. 1997)
C[Si]1(CC1)CF4410104.199C4H9FSi1-(fluoromethyl)-1-methylsiliraneN156C[Si]1(CC1)CFInChI=1S/C4H9FSi/c1-6(4-5)2-3-6/h2-4H2,1H3InChIKey=RZFXNAXOGNIETA-UHFFFAOYSA-N15.8Ex 15.80(BP est) -63.81(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1)CF -63.8PredN
F[Si]1(CC)CC14411104.199C4H9FSi1-ethyl-1-fluorosiliraneN156F[Si]1(CC)CC1InChI=1S/C4H9FSi/c1-2-6(5)3-4-6/h2-4H2,1H3InChIKey=PCKSOLBOYQSNJU-UHFFFAOYSA-N15.8Ex 15.80(BP est) -63.81(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC)CC1 -63.8PredN
F[Si]1(CCC1)C4412104.199C4H9FSi1-fluoro-1-methylsiletaneN156F[Si]1(CCC1)CInChI=1S/C4H9FSi/c1-6(5)3-2-4-6/h2-4H2,1H3InChIKey=BPUKMOHRFXDEEA-UHFFFAOYSA-N18.3Ex 18.27(BP est) -64.85(MP est) ----(BP exp) ----(MP exp) F[Si]1(CCC1)C -64.9PredN
C[Si]1(CC1F)C4413104.199C4H9FSi2-fluoro-1,1-dimethylsiliraneN156C[Si]1(CC1F)CInChI=1S/C4H9FSi/c1-6(2)3-4(6)5/h4H,3H2,1-2H3InChIKey=VYGOQNASIHPHQP-UHFFFAOYSA-N7.9Ex 7.94(BP est) -68.22(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1F)C -68.2PredN
F[Si](C)(C=C)C4414104.199C4H9FSifluorodimethyl(vinyl)silaneN156F[Si](C)(C=C)CInChI=1S/C4H9FSi/c1-4-6(2,3)5/h4H,1H2,2-3H3InChIKey=GYWIDSZAIGIHMH-UHFFFAOYSA-N19.6Ex 19.58(BP est) -116.93(MP est) ----(BP exp) ----(MP exp) F[Si](C)(C=C)C -116.9PredN
SCC(C)(C)C4415104.211C5H12S2,2-dimethylpropane-1-thiolN186SCC(C)(C)CInChI=1S/C5H12S/c1-5(2,3)4-6/h6H,4H2,1-3H3InChIKey=LSUXMVNABVPWMF-UHFFFAOYSA-N103.7Ex 107.34(BP est) -69.58(MP est) ----(BP exp) ----(MP exp) SCC(C)(C)C -69.6PredN
SCC(CC)C4416104.211C5H12S2-methylbutane-1-thiolN186SCC(CC)CInChI=1S/C5H12S/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3InChIKey=WGQKBCSACFQGQY-UHFFFAOYSA-N117.8Ex 116.69(BP est) -75.56(MP est) 116.50(BP exp) ----(MP exp) SCC(CC)C -75.6PredY(Considine and Kulik 2008)
SC(C)(CC)C4417104.211C5H12S2-methylbutane-2-thiolN186SC(C)(CC)CInChI=1S/C5H12S/c1-4-5(2,3)6/h6H,4H2,1-3H3InChIKey=IQIBYAHJXQVQGB-UHFFFAOYSA-N98.6Ex 107.34(BP est) -69.58(MP est) 99.10(BP exp) ----(MP exp) SC(C)(CC)C -69.6PredN
SCCC(C)C4418104.211C5H12S3-methylbutane-1-thiolN186SCCC(C)CInChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3InChIKey=GIJGXNFNUUFEGH-UHFFFAOYSA-N117.4Ex 116.69(BP est) -75.56(MP est) 120.00(BP exp) ----(MP exp) SCCC(C)C -75.6PredY(Kjaer 1977, Irwin et al. 2012)
SC(C(C)C)C4419104.211C5H12S3-methylbutane-2-thiolN186SC(C(C)C)CInChI=1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3InChIKey=BFLXFRNPNMTTAA-UHFFFAOYSA-N109.8Ex 102.42(BP est) -87.22(MP est) ----(BP exp) ----(MP exp) SC(C(C)C)C -87.2PredY(Gu et al. 2013)
CSCCCC4420104.211C5H12Sbutyl(methyl)sulfaneN186CSCCCCInChI=1S/C5H12S/c1-3-4-5-6-2/h3-5H2,1-2H3InChIKey=WCXXISMIJBRDQK-UHFFFAOYSA-N122.9Ex 116.75(BP est) -69.07(MP est) 123.50(BP exp) -97.80(MP exp) CSCCCC -97.8ExptY(de Lacy Costello et al. 2014)
CCSC(C)C4421104.211C5H12Sethyl(isopropyl)sulfaneN186CCSC(C)CInChI=1S/C5H12S/c1-4-6-5(2)3/h5H,4H2,1-3H3InChIKey=NZUQQADVSXWVNW-UHFFFAOYSA-N107.4Ex 102.49(BP est) -80.73(MP est) 107.50(BP exp) -122.20(MP exp) CCSC(C)C -122.2ExptY(Irwin et al. 2012)
CCSCCC4422104.211C5H12Sethyl(propyl)sulfaneN186CCSCCCInChI=1S/C5H12S/c1-3-5-6-4-2/h3-5H2,1-2H3InChIKey=ZDDDFDQTSXYYSE-UHFFFAOYSA-N117.8Ex 116.75(BP est) -69.07(MP est) 118.60(BP exp) -117.00(MP exp) CCSCCC -117ExptY(Gu et al. 2013)
CSCC(C)C4423104.211C5H12Sisobutyl(methyl)sulfaneN186CSCC(C)CInChI=1S/C5H12S/c1-5(2)4-6-3/h5H,4H2,1-3H3InChIKey=UYVGFIKOUAFDOZ-UHFFFAOYSA-N112.4Ex 102.49(BP est) -80.73(MP est) 112.50(BP exp) ----(MP exp) CSCC(C)C -80.7PredY(Gu et al. 2013)
SCCCCC4424104.211C5H12Spentane-1-thiolN186SCCCCCInChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3InChIKey=ZRKMQKLGEQPLNS-UHFFFAOYSA-N126.1Ex 130.62(BP est) -63.99(MP est) 126.60(BP exp) -75.70(MP exp) SCCCCC -75.7ExptY(The Good Scents Company , Gu et al. 2013)
SC(CCC)C4425104.211C5H12Spentane-2-thiolN186SC(CCC)CInChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3InChIKey=QUSTYFNPKBDELJ-UHFFFAOYSA-N112.1Ex 116.69(BP est) -75.56(MP est) 112.90(BP exp) -169.00(MP exp) SC(CCC)C -169ExptY(DNP 2017)
SC(CC)CC4426104.211C5H12Spentane-3-thiolN186SC(CC)CCInChI=1S/C5H12S/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3InChIKey=WICKAMSPKJXSGN-UHFFFAOYSA-N113.2Ex 116.69(BP est) -75.56(MP est) 105.00(BP exp) -110.80(MP exp) SC(CC)CC -110.8ExptY(de Lacy Costello et al. 2014)
CSC(CC)C4427104.211C5H12Ssec-butyl(methyl)sulfaneN186CSC(CC)CInChI=1S/C5H12S/c1-4-5(2)6-3/h5H,4H2,1-3H3InChIKey=IJRCRFQMYAJPPO-UHFFFAOYSA-N112.0Ex 102.49(BP est) -80.73(MP est) ----(BP exp) ----(MP exp) CSC(CC)C -80.7PredN
CSC(C)(C)C4428104.211C5H12Stert-butyl(methyl)sulfaneN186CSC(C)(C)CInChI=1S/C5H12S/c1-5(2,3)6-4/h1-4H3InChIKey=CJFVCTVYZFTORU-UHFFFAOYSA-N98.7Ex 92.94(BP est) -74.81(MP est) ----(BP exp) ----(MP exp) CSC(C)(C)C -74.8PredN
C[Si](CC)(O)C4429104.224C4H12OSiethyldimethylsilanolN186C[Si](CC)(O)CInChI=1S/C4H12OSi/c1-4-6(2,3)5/h5H,4H2,1-3H3InChIKey=AXCGWVYNDXPANP-UHFFFAOYSA-N130.4Ex 130.42(BP est) -53.57(MP est) ----(BP exp) ----(MP exp) C[Si](CC)(O)C -53.6PredN
C[Si](C)(OC)C4430104.224C4H12OSimethoxytrimethylsilaneN186C[Si](C)(OC)CInChI=1S/C4H12OSi/c1-5-6(2,3)4/h1-4H3InChIKey=POPACFLNWGUDSR-UHFFFAOYSA-N56.9Ex 46.42(BP est) -97.39(MP est) ----(BP exp) ----(MP exp) C[Si](C)(OC)C -97.4PredN
C(Cl)(F)(F)(F)4432104.456CClF3chlorotrifluoromethaneN55C(Cl)(F)(F)(F)InChI=1S/CClF3/c2-1(3,4)5InChIKey=AFYPFACVUDMOHA-UHFFFAOYSA-N-81.4Ex -39.36(BP est) -137.33(MP est) -81.40(BP exp) -181.00(MP exp) C(Cl)(F)(F)(F) -181ExptN
OC(=O)C#C(Cl)4433104.489C3HClO23-chloropropiolic acidN76OC(=O)C#C(Cl)InChI=1S/C3HClO2/c4-2-1-3(5)6/h(H,5,6)InChIKey=FAHNQEQHVOLRSI-UHFFFAOYSA-N192.3Ex 192.30(BP est) 35.73(MP est) ----(BP exp) ----(MP exp) OC(=O)C#C(Cl) 35.7PredN
C(Cl)(F)=C(C#C)4434104.508C4H2ClF1-chloro-1-fluorobut-1-en-3-yneN86C(Cl)(F)=C(C#C)InChI=1S/C4H2ClF/c1-2-3-4(5)6/h1,3HInChIKey=XLCGUJARDGPVGN-UHFFFAOYSA-N71.1Ex 71.12(BP est) -76.01(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(C#C) -76PredN
C(Cl)=C(F)(C#C)4435104.508C4H2ClF1-chloro-2-fluorobut-1-en-3-yneN86C(Cl)=C(F)(C#C)InChI=1S/C4H2ClF/c1-2-4(6)3-5/h1,3HInChIKey=QFIKNLSMAIENSV-UHFFFAOYSA-N71.1Ex 71.12(BP est) -76.01(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(F)(C#C) -76PredN
C(Cl)=C(C#CF)4436104.508C4H2ClF1-chloro-4-fluorobut-1-en-3-yneN86C(Cl)=C(C#CF)InChI=1S/C4H2ClF/c5-3-1-2-4-6/h1,3HInChIKey=NKFKNZKPOJIYIJ-UHFFFAOYSA-N87.1Ex 87.14(BP est) -34.78(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C#CF) -34.8PredN
C(F)=C(Cl)(C#C)4437104.508C4H2ClF2-chloro-1-fluorobut-1-en-3-yneN86C(F)=C(Cl)(C#C)InChI=1S/C4H2ClF/c1-2-4(5)3-6/h1,3HInChIKey=WZZHSGILLWMYLU-UHFFFAOYSA-N71.1Ex 71.12(BP est) -76.01(MP est) ----(BP exp) ----(MP exp) C(F)=C(Cl)(C#C) -76PredN
C=C(Cl)(C#CF)4438104.508C4H2ClF2-chloro-4-fluorobut-1-en-3-yneN86C=C(Cl)(C#CF)InChI=1S/C4H2ClF/c1-4(5)2-3-6/h1H2InChIKey=WKFMNMOGUACZOX-UHFFFAOYSA-N70.9Ex 70.88(BP est) -44.85(MP est) ----(BP exp) ----(MP exp) C=C(Cl)(C#CF) -44.9PredN
C(F)=C(C#CCl)4439104.508C4H2ClF4-chloro-1-fluorobut-1-en-3-yneN86C(F)=C(C#CCl)InChI=1S/C4H2ClF/c5-3-1-2-4-6/h2,4HInChIKey=IYNCWQJYCUYAPV-UHFFFAOYSA-N87.1Ex 87.14(BP est) -34.78(MP est) ----(BP exp) ----(MP exp) C(F)=C(C#CCl) -34.8PredN
C=C(F)(C#CCl)4440104.508C4H2ClF4-chloro-2-fluorobut-1-en-3-yneN86C=C(F)(C#CCl)InChI=1S/C4H2ClF/c1-4(6)2-3-5/h1H2InChIKey=DQGFNOFSCRLDNK-UHFFFAOYSA-N70.9Ex 70.88(BP est) -44.85(MP est) ----(BP exp) ----(MP exp) C=C(F)(C#CCl) -44.9PredN
CC#COCCl4441104.533C4H5ClO1-(chloromethoxy)prop-1-yneN116CC#COCClInChI=1S/C4H5ClO/c1-2-3-6-4-5/h4H2,1H3InChIKey=ZJBNWNZBAPIWHS-UHFFFAOYSA-N130.1Ex 130.06(BP est) -8.90(MP est) ----(BP exp) ----(MP exp) CC#COCCl -8.9PredN
C=COC(Cl)=C4442104.533C4H5ClO1-chloro-1-(vinyloxy)etheneN116C=COC(Cl)=CInChI=1S/C4H5ClO/c1-3-6-4(2)5/h3H,1-2H2InChIKey=VOEBFMRIVUBEHA-UHFFFAOYSA-N74.4Ex 74.44(BP est) -86.92(MP est) ----(BP exp) ----(MP exp) C=COC(Cl)=C -86.9PredN
C=COC=CCl4443104.533C4H5ClO1-chloro-2-(vinyloxy)etheneN116C=COC=CClInChI=1S/C4H5ClO/c1-2-6-4-3-5/h2-4H,1H2InChIKey=HYNLDBTZZXMSIR-UHFFFAOYSA-N90.6Ex 90.61(BP est) -76.88(MP est) ----(BP exp) ----(MP exp) C=COC=CCl -76.9PredN
COCC#CCl4444104.533C4H5ClO1-chloro-3-methoxyprop-1-yneN116COCC#CClInChI=1S/C4H5ClO/c1-6-4-2-3-5/h4H2,1H3InChIKey=JSJPEDYUHDYVCT-UHFFFAOYSA-N102.5Ex 102.47(BP est) -16.95(MP est) ----(BP exp) ----(MP exp) COCC#CCl -17PredN
ClC12C(O2)CC14445104.533C4H5ClO1-chloro-5-oxabicyclo[2.1.0]pentaneN116ClC12C(O2)CC1InChI=1S/C4H5ClO/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=KKVJDZJZSAUEPI-UHFFFAOYSA-N85.9Ex 85.91(BP est) -41.02(MP est) ----(BP exp) ----(MP exp) ClC12C(O2)CC1 -41PredN
C=CC(CCl)=O4446104.533C4H5ClO1-chlorobut-3-en-2-oneN116C=CC(CCl)=OInChI=1S/C4H5ClO/c1-2-4(6)3-5/h2H,1,3H2InChIKey=SEVIEHFDUHCSCV-UHFFFAOYSA-N132.7Ex 132.69(BP est) -48.21(MP est) ----(BP exp) ----(MP exp) C=CC(CCl)=O -48.2PredN
OC(CC#C)Cl4447104.533C4H5ClO1-chlorobut-3-yn-1-olN116OC(CC#C)ClInChI=1S/C4H5ClO/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=TXVDQIYJUHDWIL-UHFFFAOYSA-N149.4Ex 149.41(BP est) -21.02(MP est) ----(BP exp) ----(MP exp) OC(CC#C)Cl -21PredN
OC(CCl)(C#C)4448104.533C4H5ClO1-chlorobut-3-yn-2-olN116OC(CCl)(C#C)InChI=1S/C4H5ClO/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=YNCWYPLDEDXKAG-UHFFFAOYSA-N161.3Ex 161.33(BP est) -17.54(MP est) ----(BP exp) ----(MP exp) OC(CCl)(C#C) -17.5PredN
OC1(CC=C1)Cl4449104.533C4H5ClO1-chlorocyclobut-2-en-1-olN116OC1(CC=C1)ClInChI=1S/C4H5ClO/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=GWGCSQWUQGCZAA-UHFFFAOYSA-N129.3Ex 129.30(BP est) -23.33(MP est) ----(BP exp) ----(MP exp) OC1(CC=C1)Cl -23.3PredN
O=CC1(CC1)Cl4450104.533C4H5ClO1-chlorocyclopropane-1-carbaldehydeN116O=CC1(CC1)ClInChI=1S/C4H5ClO/c5-4(3-6)1-2-4/h3H,1-2H2InChIKey=GDKHHRYYSJSVHZ-UHFFFAOYSA-N114.4Ex 114.40(BP est) -35.71(MP est) ----(BP exp) ----(MP exp) O=CC1(CC1)Cl -35.7PredN
ClC(C)C1=CO14451104.533C4H5ClO2-(1-chloroethyl)oxireneN116ClC(C)C1=CO1InChI=1S/C4H5ClO/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=NQJWQQDGRRMUAV-UHFFFAOYSA-N103.5Ex 103.49(BP est) -57.30(MP est) ----(BP exp) ----(MP exp) ClC(C)C1=CO1 -57.3PredN
ClC(C1CO1)=C4452104.533C4H5ClO2-(1-chlorovinyl)oxiraneN116ClC(C1CO1)=CInChI=1S/C4H5ClO/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=JUFJKQAEILBFHO-UHFFFAOYSA-N109.5Ex 86.22(BP est) -71.46(MP est) ----(BP exp) ----(MP exp) ClC(C1CO1)=C -71.5PredN
ClCCC1=CO14453104.533C4H5ClO2-(2-chloroethyl)oxireneN116ClCCC1=CO1InChI=1S/C4H5ClO/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=KMNXFYNTIDUONU-UHFFFAOYSA-N130.3Ex 130.34(BP est) -41.96(MP est) ----(BP exp) ----(MP exp) ClCCC1=CO1 -42PredN
ClC=CC1CO14454104.533C4H5ClO2-(2-chlorovinyl)oxiraneN116ClC=CC1CO1InChI=1S/C4H5ClO/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=DBCILFBCLWASPY-UHFFFAOYSA-N102.1Ex 102.12(BP est) -61.50(MP est) ----(BP exp) ----(MP exp) ClC=CC1CO1 -61.5PredN
CC(O1)=C1CCl4455104.533C4H5ClO2-(chloromethyl)-3-methyloxireneN116CC(O1)=C1CClInChI=1S/C4H5ClO/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=HWQAVMYLHRYTOE-UHFFFAOYSA-N128.4Ex 128.37(BP est) -36.28(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1CCl -36.3PredN
O=CC(CCl)=C4456104.533C4H5ClO2-(chloromethyl)acrylaldehydeN116O=CC(CCl)=CInChI=1S/C4H5ClO/c1-4(2-5)3-6/h3H,1-2H2InChIKey=GBSRRVJYFSVPHM-UHFFFAOYSA-N139.7Ex 139.68(BP est) -57.11(MP est) ----(BP exp) ----(MP exp) O=CC(CCl)=C -57.1PredN
ClC1C2(CC2)O14457104.533C4H5ClO2-chloro-1-oxaspiro[2.2]pentaneN116ClC1C2(CC2)O1InChI=1S/C4H5ClO/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=KZHVOZWOQFXDIM-UHFFFAOYSA-N99.1Ex 99.13(BP est) -37.15(MP est) ----(BP exp) ----(MP exp) ClC1C2(CC2)O1 -37.2PredN
ClC1(C=C)CO14458104.533C4H5ClO2-chloro-2-vinyloxiraneN116ClC1(C=C)CO1InChI=1S/C4H5ClO/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=LUNAZOQJFVKQHF-UHFFFAOYSA-N82.1Ex 82.14(BP est) -53.73(MP est) ----(BP exp) ----(MP exp) ClC1(C=C)CO1 -53.7PredN
ClC(O1)=C1CC4459104.533C4H5ClO2-chloro-3-ethyloxireneN116ClC(O1)=C1CCInChI=1S/C4H5ClO/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=YNCNEHWVEYBTKY-UHFFFAOYSA-N100.7Ex 100.71(BP est) -44.35(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1CC -44.4PredN
ClC1C(C=C)O14460104.533C4H5ClO2-chloro-3-vinyloxiraneN116ClC1C(C=C)O1InChI=1S/C4H5ClO/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=RUWGZCQTGZJNPN-UHFFFAOYSA-N101.2Ex 101.17(BP est) -62.24(MP est) ----(BP exp) ----(MP exp) ClC1C(C=C)O1 -62.2PredN
ClC1CC2C1O24461104.533C4H5ClO2-chloro-5-oxabicyclo[2.1.0]pentaneN116ClC1CC2C1O2InChI=1S/C4H5ClO/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=XBIBVDLPUVMHHO-UHFFFAOYSA-N104.8Ex 104.83(BP est) -49.56(MP est) ----(BP exp) ----(MP exp) ClC1CC2C1O2 -49.6PredN
O=CC(Cl)=CC4462104.533C4H5ClO2-chlorobut-2-enalN116O=CC(Cl)=CCInChI=1S/C4H5ClO/c1-2-4(5)3-6/h2-3H,1H3InChIKey=GMUIHGWBQIUCST-UHFFFAOYSA-N147.5Ex 121.50(BP est) -64.08(MP est) 147.50(BP exp) ----(MP exp) O=CC(Cl)=CC -64.1PredN
O=CC(C=C)Cl4463104.533C4H5ClO2-chlorobut-3-enalN116O=CC(C=C)ClInChI=1S/C4H5ClO/c1-2-4(5)3-6/h2-4H,1H2InChIKey=YMUIHVQUCJRUGP-UHFFFAOYSA-N119.6Ex 119.64(BP est) -63.48(MP est) ----(BP exp) ----(MP exp) O=CC(C=C)Cl -63.5PredN
OCC(C#C)Cl4464104.533C4H5ClO2-chlorobut-3-yn-1-olN116OCC(C#C)ClInChI=1S/C4H5ClO/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=OPTLNBSVMNOVIX-UHFFFAOYSA-N156.5Ex 156.50(BP est) -18.95(MP est) ----(BP exp) ----(MP exp) OCC(C#C)Cl -19PredN
OC(C)(C#C)Cl4465104.533C4H5ClO2-chlorobut-3-yn-2-olN116OC(C)(C#C)ClInChI=1S/C4H5ClO/c1-3-4(2,5)6/h1,6H,2H3InChIKey=TWADKKWAUKUVDD-UHFFFAOYSA-N117.4Ex 117.42(BP est) -21.65(MP est) ----(BP exp) ----(MP exp) OC(C)(C#C)Cl -21.7PredN
OC1CC=C1Cl4466104.533C4H5ClO2-chlorocyclobut-2-en-1-olN116OC1CC=C1ClInChI=1S/C4H5ClO/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=CJFXPOMLEVUULR-UHFFFAOYSA-N147.8Ex 147.77(BP est) -23.63(MP est) ----(BP exp) ----(MP exp) OC1CC=C1Cl -23.6PredN
O=CC1CC1Cl4467104.533C4H5ClO2-chlorocyclopropane-1-carbaldehydeN116O=CC1CC1ClInChI=1S/C4H5ClO/c5-4-1-3(4)2-6/h2-4H,1H2InChIKey=CGNVICSFGKNCKE-UHFFFAOYSA-N132.5Ex 132.49(BP est) -44.50(MP est) ----(BP exp) ----(MP exp) O=CC1CC1Cl -44.5PredN
ClCOCC#C4468104.533C4H5ClO3-(chloromethoxy)prop-1-yneN116ClCOCC#CInChI=1S/C4H5ClO/c1-2-3-6-4-5/h1H,3-4H2InChIKey=IKNSPFJKPUSYSX-UHFFFAOYSA-N121.5Ex 121.46(BP est) -40.97(MP est) ----(BP exp) ----(MP exp) ClCOCC#C -41PredN
ClCC#COC4469104.533C4H5ClO3-chloro-1-methoxyprop-1-yneN116ClCC#COCInChI=1S/C4H5ClO/c1-6-4-2-3-5/h3H2,1H3InChIKey=HYZBSTXZGRLXOD-UHFFFAOYSA-N130.1Ex 130.06(BP est) -8.90(MP est) ----(BP exp) ----(MP exp) ClCC#COC -8.9PredN
O=CC(C)=CCl4470104.533C4H5ClO3-chloro-2-methylacrylaldehydeN116O=CC(C)=CClInChI=1S/C4H5ClO/c1-4(2-5)3-6/h2-3H,1H3InChIKey=DQCVTIKTVFPYDS-UHFFFAOYSA-N121.5Ex 121.50(BP est) -64.08(MP est) ----(BP exp) ----(MP exp) O=CC(C)=CCl -64.1PredN
COC(C#C)Cl4471104.533C4H5ClO3-chloro-3-methoxyprop-1-yneN116COC(C#C)ClInChI=1S/C4H5ClO/c1-3-4(5)6-2/h1,4H,2H3InChIKey=XQLYZQWYKMXNPG-UHFFFAOYSA-N94.2Ex 94.21(BP est) -56.43(MP est) ----(BP exp) ----(MP exp) COC(C#C)Cl -56.4PredN
O=CC=C(C)Cl4472104.533C4H5ClO3-chlorobut-2-enalN116O=CC=C(C)ClInChI=1S/C4H5ClO/c1-4(5)2-3-6/h2-3H,1H3InChIKey=JWNQGFDMJRAGNA-UHFFFAOYSA-N121.5Ex 121.50(BP est) -64.08(MP est) ----(BP exp) ----(MP exp) O=CC=C(C)Cl -64.1PredN
C=C(C(C)=O)Cl4473104.533C4H5ClO3-chlorobut-3-en-2-oneN116C=C(C(C)=O)ClInChI=1S/C4H5ClO/c1-3(5)4(2)6/h1H2,2H3InChIKey=AUITUKWCKGNHMQ-UHFFFAOYSA-N98.7Ex 98.70(BP est) -65.11(MP est) ----(BP exp) ----(MP exp) C=C(C(C)=O)Cl -65.1PredN
O=CCC(Cl)=C4474104.533C4H5ClO3-chlorobut-3-enalN116O=CCC(Cl)=CInChI=1S/C4H5ClO/c1-4(5)2-3-6/h3H,1-2H2InChIKey=IKOPGURSFYAORU-UHFFFAOYSA-N112.6Ex 112.55(BP est) -65.03(MP est) ----(BP exp) ----(MP exp) O=CCC(Cl)=C -65PredN
OC1CC(Cl)=C14475104.533C4H5ClO3-chlorocyclobut-2-en-1-olN116OC1CC(Cl)=C1InChI=1S/C4H5ClO/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=WGLGJAVSZOTRBK-UHFFFAOYSA-N147.8Ex 147.77(BP est) -23.63(MP est) ----(BP exp) ----(MP exp) OC1CC(Cl)=C1 -23.6PredN
ClC1C2(C1)CO24476104.533C4H5ClO4-chloro-1-oxaspiro[2.2]pentaneN116ClC1C2(C1)CO2InChI=1S/C4H5ClO/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=USEKIRYGGAAWLN-UHFFFAOYSA-N99.1Ex 99.13(BP est) -37.15(MP est) ----(BP exp) ----(MP exp) ClC1C2(C1)CO2 -37.2PredN
O=CC=CCCl4477104.533C4H5ClO4-chlorobut-2-enalN116O=CC=CCClInChI=1S/C4H5ClO/c5-3-1-2-4-6/h1-2,4H,3H2InChIKey=BYEGVAXXFJVWAQ-UHFFFAOYSA-N154.2Ex 154.23(BP est) -47.54(MP est) ----(BP exp) ----(MP exp) O=CC=CCCl -47.5PredN
ClC=CC(C)=O4478104.533C4H5ClO4-chlorobut-3-en-2-oneN116ClC=CC(C)=OInChI=1S/C4H5ClO/c1-4(6)2-3-5/h2-3H,1H3InChIKey=HTPABEPAZTWGPP-UHFFFAOYSA-N114.3Ex 114.29(BP est) -55.24(MP est) ----(BP exp) ----(MP exp) ClC=CC(C)=O -55.2PredN
O=CCC=CCl4479104.533C4H5ClO4-chlorobut-3-enalN116O=CCC=CClInChI=1S/C4H5ClO/c5-3-1-2-4-6/h1,3-4H,2H2InChIKey=PKXPNKXRDIPOIR-UHFFFAOYSA-N127.8Ex 127.80(BP est) -55.26(MP est) ----(BP exp) ----(MP exp) O=CCC=CCl -55.3PredN
OC(CC#CCl)4480104.533C4H5ClO4-chlorobut-3-yn-1-olN116OC(CC#CCl)InChI=1S/C4H5ClO/c5-3-1-2-4-6/h6H,2,4H2InChIKey=XLUBCXUNKUAHMI-UHFFFAOYSA-N163.9Ex 163.93(BP est) 20.29(MP est) ----(BP exp) ----(MP exp) OC(CC#CCl) 20.3PredN
OC(C#CCl)C4481104.533C4H5ClO4-chlorobut-3-yn-2-olN116OC(C#CCl)CInChI=1S/C4H5ClO/c1-4(6)2-3-5/h4,6H,1H3InChIKey=JRGVPNRWUPXVLX-UHFFFAOYSA-N143.6Ex 143.64(BP est) 6.86(MP est) ----(BP exp) ----(MP exp) OC(C#CCl)C 6.9PredN
OC1C(Cl)C=C14482104.533C4H5ClO4-chlorocyclobut-2-en-1-olN116OC1C(Cl)C=C1InChI=1S/C4H5ClO/c5-3-1-2-4(3)6/h1-4,6HInChIKey=CQROIWHBYDLAPV-UHFFFAOYSA-N157.2Ex 157.19(BP est) -29.26(MP est) ----(BP exp) ----(MP exp) OC1C(Cl)C=C1 -29.3PredN
NNC(C#C)Cl4483104.537C3H5ClN2(1-chloroprop-2-yn-1-yl)hydrazineN116NNC(C#C)ClInChI=1S/C3H5ClN2/c1-2-3(4)6-5/h1,3,6H,5H2InChIKey=CKQAVOZIQPTDET-UHFFFAOYSA-N151.6Ex 151.60(BP est) 11.54(MP est) ----(BP exp) ----(MP exp) NNC(C#C)Cl 11.5PredN
NNC(C#CCl)4484104.537C3H5ClN2(3-chloroprop-2-yn-1-yl)hydrazineN116NNC(C#CCl)InChI=1S/C3H5ClN2/c4-2-1-3-6-5/h6H,3,5H2InChIKey=KJSQFFRAWNFDMU-UHFFFAOYSA-N159.1Ex 159.09(BP est) 15.01(MP est) ----(BP exp) ----(MP exp) NNC(C#CCl) 15PredN
ClC(C)C1CC14485104.577C5H9Cl(1-chloroethyl)cyclopropaneN156ClC(C)C1CC1InChI=1S/C5H9Cl/c1-4(6)5-2-3-5/h4-5H,2-3H2,1H3InChIKey=OLLKVCSBIYCEAV-UHFFFAOYSA-N101.0Ex 88.86(BP est) -77.98(MP est) ----(BP exp) ----(MP exp) ClC(C)C1CC1 -78PredN
ClCCC1CC14486104.577C5H9Cl(2-chloroethyl)cyclopropaneN156ClCCC1CC1InChI=1S/C5H9Cl/c6-4-3-5-1-2-5/h5H,1-4H2InChIKey=FHEOPAAMRFEMFM-UHFFFAOYSA-N116.3Ex 116.34(BP est) -62.46(MP est) ----(BP exp) ----(MP exp) ClCCC1CC1 -62.5PredN
ClCC1CCC14487104.577C5H9Cl(chloromethyl)cyclobutaneN156ClCC1CCC1InChI=1S/C5H9Cl/c6-4-5-2-1-3-5/h5H,1-4H2InChIKey=QTVRMTUUKBEVAO-UHFFFAOYSA-N118.5Ex 118.48(BP est) -63.60(MP est) ----(BP exp) ----(MP exp) ClCC1CCC1 -63.6PredN
CC1(CC1)CCl4488104.577C5H9Cl1-(chloromethyl)-1-methylcyclopropaneN156CC1(CC1)CClInChI=1S/C5H9Cl/c1-5(4-6)2-3-5/h2-4H2,1H3InChIKey=MWWLGISFTGYHRH-UHFFFAOYSA-N103.9Ex 103.86(BP est) -54.15(MP est) ----(BP exp) ----(MP exp) CC1(CC1)CCl -54.2PredN
CC1CC1CCl4489104.577C5H9Cl1-(chloromethyl)-2-methylcyclopropaneN156CC1CC1CClInChI=1S/C5H9Cl/c1-4-2-5(4)3-6/h4-5H,2-3H2,1H3InChIKey=QSOLBSRMEMQEGA-UHFFFAOYSA-N109.5Ex 109.52(BP est) -66.57(MP est) ----(BP exp) ----(MP exp) CC1CC1CCl -66.6PredN
CC1CC1(C)Cl4490104.577C5H9Cl1-chloro-1,2-dimethylcyclopropaneN156CC1CC1(C)ClInChI=1S/C5H9Cl/c1-4-3-5(4,2)6/h4H,3H2,1-2H3InChIKey=NQSPFSGBBYNCDE-UHFFFAOYSA-N70.1Ex 70.05(BP est) -66.14(MP est) ----(BP exp) ----(MP exp) CC1CC1(C)Cl -66.1PredN
ClC1(CC)CC14491104.577C5H9Cl1-chloro-1-ethylcyclopropaneN156ClC1(CC)CC1InChI=1S/C5H9Cl/c1-2-5(6)3-4-5/h2-4H2,1H3InChIKey=NJDWYCSJECRAFZ-UHFFFAOYSA-N77.3Ex 77.30(BP est) -61.91(MP est) ----(BP exp) ----(MP exp) ClC1(CC)CC1 -61.9PredN
ClC1(CCC1)C4492104.577C5H9Cl1-chloro-1-methylcyclobutaneN156ClC1(CCC1)CInChI=1S/C5H9Cl/c1-5(6)3-2-4-5/h2-4H2,1H3InChIKey=QLBCNTFBOXQXLQ-UHFFFAOYSA-N79.6Ex 79.57(BP est) -63.00(MP est) ----(BP exp) ----(MP exp) ClC1(CCC1)C -63PredN
ClC1C(C)C1C4493104.577C5H9Cl1-chloro-2,3-dimethylcyclopropaneN156ClC1C(C)C1CInChI=1S/C5H9Cl/c1-3-4(2)5(3)6/h3-5H,1-2H3InChIKey=YXHSATNSCPQKFK-UHFFFAOYSA-N89.4Ex 89.43(BP est) -74.56(MP est) ----(BP exp) ----(MP exp) ClC1C(C)C1C -74.6PredN
ClC1C(CC)C14494104.577C5H9Cl1-chloro-2-ethylcyclopropaneN156ClC1C(CC)C1InChI=1S/C5H9Cl/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=WWEAGJNNVGBMOF-UHFFFAOYSA-N96.5Ex 96.47(BP est) -70.38(MP est) ----(BP exp) ----(MP exp) ClC1C(CC)C1 -70.4PredN
ClC=C(CC)C4495104.577C5H9Cl1-chloro-2-methylbut-1-eneN156ClC=C(CC)CInChI=1S/C5H9Cl/c1-3-5(2)4-6/h4H,3H2,1-2H3InChIKey=KRGLOJFYIVYYDI-UHFFFAOYSA-N90.0Ex 84.81(BP est) -90.16(MP est) 96.50(BP exp) ----(MP exp) ClC=C(CC)C -90.2PredN
CC=C(CCl)C4496104.577C5H9Cl1-chloro-2-methylbut-2-eneN156CC=C(CCl)CInChI=1S/C5H9Cl/c1-3-5(2)4-6/h3H,4H2,1-2H3InChIKey=ZAJKEDQTROWDDD-UHFFFAOYSA-N108.0Ex 113.17(BP est) -81.88(MP est) 110.00(BP exp) ----(MP exp) CC=C(CCl)C -81.9PredN
CC1CCC1Cl4497104.577C5H9Cl1-chloro-2-methylcyclobutaneN156CC1CCC1ClInChI=1S/C5H9Cl/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=JAVJHANYVPVKQE-UHFFFAOYSA-N104.5Ex 98.68(BP est) -71.50(MP est) ----(BP exp) ----(MP exp) CC1CCC1Cl -71.5PredN
CC(C=CCl)C4498104.577C5H9Cl1-chloro-3-methylbut-1-eneN156CC(C=CCl)CInChI=1S/C5H9Cl/c1-5(2)3-4-6/h3-5H,1-2H3InChIKey=MXVSJNLRVLKAOG-UHFFFAOYSA-N93.0Ex 76.65(BP est) -93.06(MP est) 87.00(BP exp) ----(MP exp) CC(C=CCl)C -93.1PredN
ClCC=C(C)C4499104.577C5H9Cl1-chloro-3-methylbut-2-eneN156ClCC=C(C)CInChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3InChIKey=JKXQKGNGJVZKFA-UHFFFAOYSA-N109.9Ex 113.17(BP est) -81.88(MP est) 109.00(BP exp) ----(MP exp) ClCC=C(C)C -81.9PredY(Gribble 2009)
CC1CC(Cl)C14500104.577C5H9Cl1-chloro-3-methylcyclobutaneN156CC1CC(Cl)C1InChI=1S/C5H9Cl/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3InChIKey=MZPDAMRBESJYSM-UHFFFAOYSA-N98.7Ex 98.68(BP est) -71.50(MP est) ----(BP exp) ----(MP exp) CC1CC(Cl)C1 -71.5PredN
CCCC=CCl4501104.577C5H9Cl1-chloropent-1-eneN156CCCC=CClInChI=1S/C5H9Cl/c1-2-3-4-5-6/h4-5H,2-3H2,1H3InChIKey=NKNYZKFBNQUWTM-UHFFFAOYSA-N88.5Ex 91.49(BP est) -81.23(MP est) ----(BP exp) ----(MP exp) CCCC=CCl -81.2PredN
ClCC=CCC4502104.577C5H9Cl1-chloropent-2-eneN156ClCC=CCCInChI=1S/C5H9Cl/c1-2-3-4-5-6/h3-4H,2,5H2,1H3InChIKey=UPJCRKZUCADENN-UHFFFAOYSA-N109.0Ex 119.56(BP est) -73.03(MP est) ----(BP exp) ----(MP exp) ClCC=CCC -73PredN
C=C(CC)CCl4503104.577C5H9Cl2-(chloromethyl)but-1-eneN156C=C(CC)CClInChI=1S/C5H9Cl/c1-3-5(2)4-6/h2-4H2,1H3InChIKey=LTVNYBFQRYQEJU-UHFFFAOYSA-N90.0Ex 104.10(BP est) -82.86(MP est) ----(BP exp) ----(MP exp) C=C(CC)CCl -82.9PredN
CC1(CC1Cl)C4504104.577C5H9Cl2-chloro-1,1-dimethylcyclopropaneN156CC1(CC1Cl)CInChI=1S/C5H9Cl/c1-5(2)3-4(5)6/h4H,3H2,1-2H3InChIKey=VKHSRYYWICBVOW-UHFFFAOYSA-N83.6Ex 83.59(BP est) -62.19(MP est) ----(BP exp) ----(MP exp) CC1(CC1Cl)C -62.2PredN
CC(C(Cl)=C)C4506104.577C5H9Cl2-chloro-3-methylbut-1-eneN156CC(C(Cl)=C)CInChI=1S/C5H9Cl/c1-4(2)5(3)6/h4H,3H2,1-2H3InChIKey=RBSYGFLXVMWYGD-UHFFFAOYSA-N90.0Ex 60.14(BP est) -103.20(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)=C)C -103.2PredN
ClC(C)=C(C)C4507104.577C5H9Cl2-chloro-3-methylbut-2-eneN156ClC(C)=C(C)CInChI=1S/C5H9Cl/c1-4(2)5(3)6/h1-3H3InChIKey=WIIKEBDPJPYJHF-UHFFFAOYSA-N94.0Ex 78.07(BP est) -99.10(MP est) 96.00(BP exp) ----(MP exp) ClC(C)=C(C)C -99.1PredN
CCCC(Cl)=C4508104.577C5H9Cl2-chloropent-1-eneN156CCCC(Cl)=CInChI=1S/C5H9Cl/c1-3-4-5(2)6/h2-4H2,1H3InChIKey=RYAVTKZLXAVVAQ-UHFFFAOYSA-N88.0Ex 75.33(BP est) -91.26(MP est) ----(BP exp) ----(MP exp) CCCC(Cl)=C -91.3PredN
ClC(C)=CCC4509104.577C5H9Cl2-chloropent-2-eneN156ClC(C)=CCCInChI=1S/C5H9Cl/c1-3-4-5(2)6/h4H,3H2,1-2H3InChIKey=KQLXLZMCYSIZHH-UHFFFAOYSA-N92.0Ex 84.81(BP est) -90.16(MP est) ----(BP exp) ----(MP exp) ClC(C)=CCC -90.2PredN
C=C(C(C)Cl)C4510104.577C5H9Cl3-chloro-2-methylbut-1-eneN156C=C(C(C)Cl)CInChI=1S/C5H9Cl/c1-4(2)5(3)6/h5H,1H2,2-3H3InChIKey=UCUDJURUNUQAHQ-UHFFFAOYSA-N93.8Ex 76.08(BP est) -98.54(MP est) 94.00(BP exp) ----(MP exp) C=C(C(C)Cl)C -98.5PredN
ClC(C)(C=C)C4511104.577C5H9Cl3-chloro-3-methylbut-1-eneN156ClC(C)(C=C)CInChI=1S/C5H9Cl/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=KECJPTAJLDCQHM-UHFFFAOYSA-N80.2Ex 59.25(BP est) -87.77(MP est) ----(BP exp) ----(MP exp) ClC(C)(C=C)C -87.8PredN
CCC(C=C)Cl4512104.577C5H9Cl3-chloropent-1-eneN156CCC(C=C)ClInChI=1S/C5H9Cl/c1-3-5(6)4-2/h3,5H,1,4H2,2H3InChIKey=GEVKGFRTXNJNKK-UHFFFAOYSA-N93.0Ex 82.85(BP est) -89.59(MP est) ----(BP exp) ----(MP exp) CCC(C=C)Cl -89.6PredN
CC=C(CC)Cl4513104.577C5H9Cl3-chloropent-2-eneN156CC=C(CC)ClInChI=1S/C5H9Cl/c1-3-5(6)4-2/h3H,4H2,1-2H3InChIKey=VSQKJRIDGSFPSI-UHFFFAOYSA-N91.4Ex 84.81(BP est) -90.16(MP est) ----(BP exp) ----(MP exp) CC=C(CC)Cl -90.2PredN
C=C(CCCl)C4514104.577C5H9Cl4-chloro-2-methylbut-1-eneN156C=C(CCCl)CInChI=1S/C5H9Cl/c1-5(2)3-4-6/h1,3-4H2,2H3InChIKey=LGMPVUDVTHHFDR-UHFFFAOYSA-N101.6Ex 104.10(BP est) -82.86(MP est) ----(BP exp) ----(MP exp) C=C(CCCl)C -82.9PredN
CC(C=C)CCl4515104.577C5H9Cl4-chloro-3-methylbut-1-eneN156CC(C=C)CClInChI=1S/C5H9Cl/c1-3-5(2)4-6/h3,5H,1,4H2,2H3InChIKey=ZFXHRKNMXMGZNU-UHFFFAOYSA-N92.0Ex 96.18(BP est) -85.70(MP est) ----(BP exp) ----(MP exp) CC(C=C)CCl -85.7PredN
ClC(CC=C)C4516104.577C5H9Cl4-chloropent-1-eneN156ClC(CC=C)CInChI=1S/C5H9Cl/c1-3-4-5(2)6/h3,5H,1,4H2,2H3InChIKey=BIGJOILKRSNJMQ-UHFFFAOYSA-N97.0Ex 82.85(BP est) -89.59(MP est) ----(BP exp) ----(MP exp) ClC(CC=C)C -89.6PredN
CC=CC(C)Cl4517104.577C5H9Cl4-chloropent-2-eneN156CC=CC(C)ClInChI=1S/C5H9Cl/c1-3-4-5(2)6/h3-5H,1-2H3InChIKey=FKKCIOTUMHPTSB-UHFFFAOYSA-N98.4Ex 92.22(BP est) -88.51(MP est) ----(BP exp) ----(MP exp) CC=CC(C)Cl -88.5PredN
ClCCCC=C4518104.577C5H9Cl5-chloropent-1-eneN156ClCCCC=CInChI=1S/C5H9Cl/c1-2-3-4-5-6/h2H,1,3-5H2InChIKey=UPOBJNRMUDPATE-UHFFFAOYSA-N102.7Ex 110.58(BP est) -73.99(MP est) 105.00(BP exp) ----(MP exp) ClCCCC=C -74PredN
CC=CCCCl4519104.577C5H9Cl5-chloropent-2-eneN156CC=CCCClInChI=1S/C5H9Cl/c1-2-3-4-5-6/h2-3H,4-5H2,1H3InChIKey=QTRJVMJEBVLXOK-UHFFFAOYSA-N102.4Ex 119.56(BP est) -73.03(MP est) ----(BP exp) ----(MP exp) CC=CCCCl -73PredN
ClC1CCCC14520104.577C5H9ClchlorocyclopentaneN156ClC1CCCC1InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2InChIKey=NDTCXABJQNJPCF-UHFFFAOYSA-N113.7Ex 107.80(BP est) -68.47(MP est) 114.00(BP exp) ----(MP exp) ClC1CCCC1 -68.5PredN
C#CBr4524104.934C2HBrbromoethyneN43C#CBrInChI=1S/C2HBr/c1-2-3/h1HInChIKey=RUEKPBLTWGFBOD-UHFFFAOYSA-N4.2Ex 61.25(BP est) -65.99(MP est) ----(BP exp) ----(MP exp) C#CBr -66PredN
C(C(=N)O)P=O4526105.033C2H4NO2P2-(oxophosphaneyl)acetimidic acidN106C(C(=N)O)P=OInChI=1S/C2H4NO2P/c3-2(4)1-6-5/h1H2,(H2,3,4)InChIKey=LKNVLTNEEMGJHY-UHFFFAOYSA-N243.3Ex 243.28(BP est) 31.75(MP est) ----(BP exp) ----(MP exp) C(C(=N)O)P=O 31.8PredN
N1CCCOP14527105.077C3H8NOP1,3,2-oxazaphosphinaneN146N1CCCOP1InChI=1S/C3H8NOP/c1-2-4-6-5-3-1/h4,6H,1-3H2InChIKey=JEHSQBJZMRRHSD-UHFFFAOYSA-N147.1Ex 147.14(BP est) -7.80(MP est) ----(BP exp) ----(MP exp) N1CCCOP1 -7.8PredN
O=S1N\C=C/O14528105.111C2H3NO2S3H-1,2,3-oxathiazole 2-oxideN96O=S1N\C=C/O1InChI=1S/C2H3NO2S/c4-6-3-1-2-5-6/h1-3HInChIKey=CHXDAHWRBGNLQZ-UHFFFAOYSA-N223.9Ex 223.87(BP est) 41.42(MP est) ----(BP exp) ----(MP exp) O=S1N\C=C/O1 41.4PredN
O=S(C)(C#N)=O4529105.111C2H3NO2Smethanesulfonyl cyanideN96O=S(C)(C#N)=OInChI=1S/C2H3NO2S/c1-6(4,5)2-3/h1H3InChIKey=QEIOAAJCOKZGDV-UHFFFAOYSA-N226.7Ex 226.71(BP est) 36.42(MP est) ----(BP exp) ----(MP exp) O=S(C)(C#N)=O 36.4PredN
O=C(C)N=S=O4530105.111C2H3NO2SN-(oxo-lambda4-sulfaneylidene)acetamideN96O=C(C)N=S=OInChI=1S/C2H3NO2S/c1-2(4)3-6-5/h1H3InChIKey=DXJGBUOYNNYNML-UHFFFAOYSA-N231.7Ex 231.71(BP est) 43.17(MP est) ----(BP exp) ----(MP exp) O=C(C)N=S=O 43.2PredN
NCCP(C)C4531105.121C4H12NP2-(dimethylphosphaneyl)ethan-1-amineN186NCCP(C)CInChI=1S/C4H12NP/c1-6(2)4-3-5/h3-5H2,1-2H3InChIKey=IKNKRQDYANBMHT-UHFFFAOYSA-N128.3Ex 128.32(BP est) -40.08(MP est) ----(BP exp) ----(MP exp) NCCP(C)C -40.1PredN
N(C)(C)CCP4533105.121C4H12NPN,N-dimethyl-2-phosphaneylethan-1-amineN186N(C)(C)CCPInChI=1S/C4H12NP/c1-5(2)3-4-6/h3-4,6H2,1-2H3InChIKey=LSUATVNDOGCIBI-UHFFFAOYSA-N108.3Ex 108.25(BP est) -62.47(MP est) ----(BP exp) ----(MP exp) N(C)(C)CCP -62.5PredN
O=C(N)CSC4534105.155C3H7NOS2-(methylthio)acetamideN136O=C(N)CSCInChI=1S/C3H7NOS/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)InChIKey=OBENGAMZEGRSIC-UHFFFAOYSA-N251.5Ex 251.51(BP est) 54.87(MP est) ----(BP exp) ----(MP exp) O=C(N)CSC 54.9PredN
SCC(NC)=O4535105.155C3H7NOS2-mercapto-N-methylacetamideN136SCC(NC)=OInChI=1S/C3H7NOS/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)InChIKey=NSJNRJYQQPRCLF-UHFFFAOYSA-N256.5Ex 256.50(BP est) 57.60(MP est) ----(BP exp) ----(MP exp) SCC(NC)=O 57.6PredN
S=C(COC)N4536105.155C3H7NOS2-methoxyethanethioamideN136S=C(COC)NInChI=1S/C3H7NOS/c1-5-2-3(4)6/h2H2,1H3,(H2,4,6)InChIKey=DGESBPSZKAQEOE-UHFFFAOYSA-N166.2Ex 166.21(BP est) 9.01(MP est) ----(BP exp) ----(MP exp) S=C(COC)N 9PredN
SCC(C)N=O4537105.155C3H7NOS2-nitrosopropane-1-thiolN136SCC(C)N=OInChI=1S/C3H7NOS/c1-3(2-6)4-5/h3,6H,2H2,1H3InChIKey=RDKTVWKDRQZGNY-UHFFFAOYSA-N101.7Ex 101.74(BP est) -35.51(MP est) ----(BP exp) ----(MP exp) SCC(C)N=O -35.5PredN
SCCC(N)=O4538105.155C3H7NOS3-mercaptopropanamideN136SCCC(N)=OInChI=1S/C3H7NOS/c4-3(5)1-2-6/h6H,1-2H2,(H2,4,5)InChIKey=JLSJEUQOXVVCPN-UHFFFAOYSA-N261.8Ex 261.79(BP est) 59.89(MP est) ----(BP exp) ----(MP exp) SCCC(N)=O 59.9PredN
S=C(OCC)N4539105.155C3H7NOSO-ethyl carbamothioateN136S=C(OCC)NInChI=1S/C3H7NOS/c1-2-5-3(4)6/h2H2,1H3,(H2,4,6)InChIKey=PWZUZQNZVZKCBI-UHFFFAOYSA-N166.2Ex 166.21(BP est) 9.01(MP est) ----(BP exp) 41.00(MP exp) S=C(OCC)N 41ExptN
C1NCNSN14540105.159C2H7N3S1,2,4,6-thiatriazinaneN136C1NCNSN1InChI=1S/C2H7N3S/c1-3-2-5-6-4-1/h3-5H,1-2H2InChIKey=GNHCJWKJINSVRE-UHFFFAOYSA-N231.1Ex 231.05(BP est) 76.76(MP est) ----(BP exp) ----(MP exp) C1NCNSN1 76.8PredN
S=C(N)N(C)N4541105.159C2H7N3S1-methylhydrazine-1-carbothioamideN136S=C(N)N(C)NInChI=1S/C2H7N3S/c1-5(4)2(3)6/h4H2,1H3,(H2,3,6)InChIKey=IIGQLQZSWDUOBI-UHFFFAOYSA-N199.0Ex 198.97(BP est) 31.10(MP est) ----(BP exp) ----(MP exp) S=C(N)N(C)N 31.1PredN
S=C(N)NNC4542105.159C2H7N3S2-methylhydrazine-1-carbothioamideN136S=C(N)NNCInChI=1S/C2H7N3S/c1-4-5-2(3)6/h4H,1H3,(H3,3,5,6)InChIKey=JQPZTRBYIRCNAP-UHFFFAOYSA-N201.3Ex 201.27(BP est) 29.51(MP est) ----(BP exp) ----(MP exp) S=C(N)NNC 29.5PredN
S=C(NC)NN4543105.159C2H7N3SN-methylhydrazinecarbothioamideN136S=C(NC)NNInChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)InChIKey=PTVZQOAHCSKAAS-UHFFFAOYSA-N201.3Ex 201.27(BP est) 29.51(MP est) ----(BP exp) ----(MP exp) S=C(NC)NN 29.5PredN
C\1=C\SNS/14544105.173C2H3NS21,3,2-dithiazoleN85C\1=C\SNS/1InChI=1S/C2H3NS2/c1-2-5-3-4-1/h1-3HInChIKey=PJDDGXBBYQKCBV-UHFFFAOYSA-N183.6Ex 183.58(BP est) 23.89(MP est) ----(BP exp) ----(MP exp) C\1=C\SNS/1 23.9PredN
C1\N=C/SS14545105.173C2H3NS23H-1,2,4-dithiazoleN85C1\N=C/SS1InChI=1S/C2H3NS2/c1-3-2-5-4-1/h1H,2H2InChIKey=XTLFOTGRJYJFTE-UHFFFAOYSA-N163.1Ex 163.08(BP est) 6.54(MP est) ----(BP exp) ----(MP exp) C1\N=C/SS1 6.5PredN
CSSC#N4546105.173C2H3NS2methyl (dithioperoxocyanate)N85CSSC#NInChI=1S/C2H3NS2/c1-4-5-2-3/h1H3InChIKey=YANFIJGFRYCNNI-UHFFFAOYSA-N200.7Ex 200.67(BP est) -11.78(MP est) ----(BP exp) ----(MP exp) CSSC#N -11.8PredN
C(=S)NC=S4547105.173C2H3NS2N-thioformylmethanethioamideN85C(=S)NC=SInChI=1S/C2H3NS2/c4-1-3-2-5/h1-2H,(H,3,4,5)InChIKey=XXQWHPPPSQHNEG-UHFFFAOYSA-N29.3Ex 29.26(BP est) -88.56(MP est) ----(BP exp) ----(MP exp) C(=S)NC=S -88.6PredN
NC(C)CSC4548105.199C4H11NS1-(methylthio)propan-2-amineN176NC(C)CSCInChI=1S/C4H11NS/c1-4(5)3-6-2/h4H,3,5H2,1-2H3InChIKey=ZXGNLASDUYGVFG-UHFFFAOYSA-N140.8Ex 140.78(BP est) -33.56(MP est) ----(BP exp) ----(MP exp) NC(C)CSC -33.6PredN
SCCN(C)C4549105.199C4H11NS2-(dimethylamino)ethane-1-thiolN176SCCN(C)CInChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3InChIKey=DENMGZODXQRYAR-UHFFFAOYSA-N92.0Ex 129.98(BP est) -53.58(MP est) ----(BP exp) ----(MP exp) SCCN(C)C -53.6PredN
NCCSCC4550105.199C4H11NS2-(ethylthio)ethan-1-amineN176NCCSCCInChI=1S/C4H11NS/c1-2-6-4-3-5/h2-5H2,1H3InChIKey=HJCTVUWPHAZTLI-UHFFFAOYSA-N154.2Ex 154.15(BP est) -22.16(MP est) ----(BP exp) ----(MP exp) NCCSCC -22.2PredN
NCC(C)SC4551105.199C4H11NS2-(methylthio)propan-1-amineN176NCC(C)SCInChI=1S/C4H11NS/c1-4(3-5)6-2/h4H,3,5H2,1-2H3InChIKey=PJHRMQPEENZCPK-UHFFFAOYSA-N140.8Ex 140.78(BP est) -33.56(MP est) ----(BP exp) ----(MP exp) NCC(C)SC -33.6PredN
SCC(CC)N4552105.199C4H11NS2-aminobutane-1-thiolN176SCC(CC)NInChI=1S/C4H11NS/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3InChIKey=SBFLJHLQNAYTIS-UHFFFAOYSA-N154.1Ex 154.08(BP est) -28.65(MP est) ----(BP exp) ----(MP exp) SCC(CC)N -28.7PredN
NCCCSC4553105.199C4H11NS3-(methylthio)propan-1-amineN176NCCCSCInChI=1S/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3InChIKey=KKYSBGWCYXYOHA-UHFFFAOYSA-N154.2Ex 154.15(BP est) -22.16(MP est) ----(BP exp) ----(MP exp) NCCCSC -22.2PredY(DNP 2017)
CN(C)CSC4554105.199C4H11NSN,N-dimethyl-1-(methylthio)methanamineN176CN(C)CSCInChI=1S/C4H11NS/c1-5(2)4-6-3/h4H2,1-3H3InChIKey=MWNLDNCXYVZDHX-UHFFFAOYSA-N116.1Ex 116.10(BP est) -58.66(MP est) ----(BP exp) ----(MP exp) CN(C)CSC -58.7PredN
CNCCSC4555105.199C4H11NSN-methyl-2-(methylthio)ethan-1-amineN176CNCCSCInChI=1S/C4H11NS/c1-5-3-4-6-2/h5H,3-4H2,1-2H3InChIKey=RBEQDVAYBZLKRS-UHFFFAOYSA-N136.8Ex 136.75(BP est) -42.54(MP est) ----(BP exp) ----(MP exp) CNCCSC -42.5PredN
ClC1N(O)C=C14564105.521C3H4ClNO2-chloroazet-1(2H)-olN106ClC1N(O)C=C1InChI=1S/C3H4ClNO/c4-3-1-2-5(3)6/h1-3,6HInChIKey=KRLWDVBRMHWTTR-UHFFFAOYSA-N245.9Ex 245.89(BP est) 34.20(MP est) ----(BP exp) ----(MP exp) ClC1N(O)C=C1 34.2PredN
ClC1NOC=C14565105.521C3H4ClNO3-chloro-2,3-dihydroisoxazoleN106ClC1NOC=C1InChI=1S/C3H4ClNO/c4-3-1-2-6-5-3/h1-3,5HInChIKey=YKYLRSQFBIMBJS-UHFFFAOYSA-N153.8Ex 153.76(BP est) -0.15(MP est) ----(BP exp) ----(MP exp) ClC1NOC=C1 -0.2PredN
ClC1=CCON14566105.521C3H4ClNO3-chloro-2,5-dihydroisoxazoleN106ClC1=CCON1InChI=1S/C3H4ClNO/c4-3-1-2-6-5-3/h1,5H,2H2InChIKey=JNYJWLBMCPIFAI-UHFFFAOYSA-N144.3Ex 144.28(BP est) 5.47(MP est) ----(BP exp) ----(MP exp) ClC1=CCON1 5.5PredN
ClC1=CN(O)C14567105.521C3H4ClNO3-chloroazet-1(2H)-olN106ClC1=CN(O)C1InChI=1S/C3H4ClNO/c4-3-1-5(6)2-3/h1,6H,2H2InChIKey=KVGFTYYRVBTSNV-UHFFFAOYSA-N238.2Ex 238.22(BP est) 40.34(MP est) ----(BP exp) ----(MP exp) ClC1=CN(O)C1 40.3PredN
ClC1CNC1=O4568105.521C3H4ClNO3-chloroazetidin-2-oneN106ClC1CNC1=OInChI=1S/C3H4ClNO/c4-2-1-5-3(2)6/h2H,1H2,(H,5,6)InChIKey=ICEFJOWCFMBLIA-UHFFFAOYSA-N249.8Ex 249.80(BP est) 56.78(MP est) ----(BP exp) ----(MP exp) ClC1CNC1=O 56.8PredN
ClC1=CONC14569105.521C3H4ClNO4-chloro-2,3-dihydroisoxazoleN106ClC1=CONC1InChI=1S/C3H4ClNO/c4-3-1-5-6-2-3/h2,5H,1H2InChIKey=UBFXFKHGKDOEKE-UHFFFAOYSA-N144.3Ex 144.28(BP est) 5.47(MP est) ----(BP exp) ----(MP exp) ClC1=CONC1 5.5PredN
ClC1=CNOC14570105.521C3H4ClNO4-chloro-2,5-dihydroisoxazoleN106ClC1=CNOC1InChI=1S/C3H4ClNO/c4-3-1-5-6-2-3/h1,5H,2H2InChIKey=HGUPHEJERVWZJI-UHFFFAOYSA-N144.3Ex 144.28(BP est) 5.47(MP est) ----(BP exp) ----(MP exp) ClC1=CNOC1 5.5PredN
ClC1=CCN1O4571105.521C3H4ClNO4-chloroazet-1(2H)-olN106ClC1=CCN1OInChI=1S/C3H4ClNO/c4-3-1-2-5(3)6/h1,6H,2H2InChIKey=SNXFSKQFSICKPJ-UHFFFAOYSA-N238.2Ex 238.22(BP est) 40.34(MP est) ----(BP exp) ----(MP exp) ClC1=CCN1O 40.3PredN
O=C1CC(Cl)N14572105.521C3H4ClNO4-chloroazetidin-2-oneN106O=C1CC(Cl)N1InChI=1S/C3H4ClNO/c4-2-1-3(6)5-2/h2H,1H2,(H,5,6)InChIKey=JCOLXNINLBTMIS-UHFFFAOYSA-N249.8Ex 249.80(BP est) 56.78(MP est) ----(BP exp) ----(MP exp) O=C1CC(Cl)N1 56.8PredN
ClC1=CCNO14573105.521C3H4ClNO5-chloro-2,3-dihydroisoxazoleN106ClC1=CCNO1InChI=1S/C3H4ClNO/c4-3-1-2-5-6-3/h1,5H,2H2InChIKey=LSFGUHWTZKMGTF-UHFFFAOYSA-N144.3Ex 144.28(BP est) 5.47(MP est) ----(BP exp) ----(MP exp) ClC1=CCNO1 5.5PredN
ClC1C=CNO14574105.521C3H4ClNO5-chloro-2,5-dihydroisoxazoleN106ClC1C=CNO1InChI=1S/C3H4ClNO/c4-3-1-2-5-6-3/h1-3,5HInChIKey=YIQDKIZMDXKWJX-UHFFFAOYSA-N153.8Ex 153.76(BP est) -0.15(MP est) ----(BP exp) ----(MP exp) ClC1C=CNO1 -0.2PredN
ClC(C#C)NO4575105.521C3H4ClNON-(1-chloroprop-2-yn-1-yl)hydroxylamineN106ClC(C#C)NOInChI=1S/C3H4ClNO/c1-2-3(4)5-6/h1,3,5-6HInChIKey=NOLNFHSFWAGEOT-UHFFFAOYSA-N190.3Ex 190.32(BP est) 11.62(MP est) ----(BP exp) ----(MP exp) ClC(C#C)NO 11.6PredN
NOC(C#C)Cl4580105.521C3H4ClNOO-(1-chloroprop-2-yn-1-yl)hydroxylamineN106NOC(C#C)ClInChI=1S/C3H4ClNO/c1-2-3(4)6-5/h1,3H,5H2InChIKey=BLDPLDOQADSAMX-UHFFFAOYSA-N133.0Ex 133.01(BP est) -9.10(MP est) ----(BP exp) ----(MP exp) NOC(C#C)Cl -9.1PredN
NOCC#CCl4581105.521C3H4ClNOO-(3-chloroprop-2-yn-1-yl)hydroxylamineN106NOCC#CClInChI=1S/C3H4ClNO/c4-2-1-3-6-5/h3,5H2InChIKey=MCCCCUGYSKBCRY-UHFFFAOYSA-N140.8Ex 140.77(BP est) -0.62(MP est) ----(BP exp) ----(MP exp) NOCC#CCl -0.6PredN
NCC1(CC1)Cl4584105.565C4H8ClN(1-chlorocyclopropyl)methanamineN146NCC1(CC1)ClInChI=1S/C4H8ClN/c5-4(3-6)1-2-4/h1-3,6H2InChIKey=SENZQCBEZCOINC-UHFFFAOYSA-N117.1Ex 117.13(BP est) -14.28(MP est) ----(BP exp) ----(MP exp) NCC1(CC1)Cl -14.3PredN
NCC1CC1Cl4585105.565C4H8ClN(2-chlorocyclopropyl)methanamineN146NCC1CC1ClInChI=1S/C4H8ClN/c5-4-1-3(4)2-6/h3-4H,1-2,6H2InChIKey=FSYCLLVNDVLXPJ-UHFFFAOYSA-N135.1Ex 135.13(BP est) -23.10(MP est) ----(BP exp) ----(MP exp) NCC1CC1Cl -23.1PredN
NC1(CC1)CCl4586105.565C4H8ClN1-(chloromethyl)cyclopropan-1-amineN146NC1(CC1)CClInChI=1S/C4H8ClN/c5-3-4(6)1-2-4/h1-3,6H2InChIKey=GDBLAXWHFITBHL-UHFFFAOYSA-N142.1Ex 142.07(BP est) -7.00(MP est) ----(BP exp) ----(MP exp) NC1(CC1)CCl -7PredN
NC(CC=C)Cl4587105.565C4H8ClN1-chlorobut-3-en-1-amineN146NC(CC=C)ClInChI=1S/C4H8ClN/c1-2-3-4(5)6/h2,4H,1,3,6H2InChIKey=LQQWXINYPOYCCH-UHFFFAOYSA-N122.4Ex 122.35(BP est) -42.06(MP est) ----(BP exp) ----(MP exp) NC(CC=C)Cl -42.1PredN
NC(C=C)CCl4588105.565C4H8ClN1-chlorobut-3-en-2-amineN146NC(C=C)CClInChI=1S/C4H8ClN/c1-2-4(6)3-5/h2,4H,1,3,6H2InChIKey=AEUYOHQFGGZDBL-UHFFFAOYSA-N134.9Ex 134.86(BP est) -38.41(MP est) ----(BP exp) ----(MP exp) NC(C=C)CCl -38.4PredN
NC1(CCC1)Cl4589105.565C4H8ClN1-chlorocyclobutan-1-amineN146NC1(CCC1)ClInChI=1S/C4H8ClN/c5-4(6)2-1-3-4/h1-3,6H2InChIKey=TYXDYGUQLZZOAH-UHFFFAOYSA-N119.3Ex 119.27(BP est) -15.42(MP est) ----(BP exp) ----(MP exp) NC1(CCC1)Cl -15.4PredN
CNC1(CC1)Cl4590105.565C4H8ClN1-chloro-N-methylcyclopropan-1-amineN146CNC1(CC1)ClInChI=1S/C4H8ClN/c1-6-4(5)2-3-4/h6H,2-3H2,1H3InChIKey=XCVQJROZLUWXMS-UHFFFAOYSA-N98.6Ex 98.58(BP est) -35.00(MP est) ----(BP exp) ----(MP exp) CNC1(CC1)Cl -35PredN
CNC(C=C)Cl4591105.565C4H8ClN1-chloro-N-methylprop-2-en-1-amineN146CNC(C=C)ClInChI=1S/C4H8ClN/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=OMNDRUCTINYMLV-UHFFFAOYSA-N104.0Ex 103.95(BP est) -62.73(MP est) ----(BP exp) ----(MP exp) CNC(C=C)Cl -62.7PredN
ClC(C)C1CN14592105.565C4H8ClN2-(1-chloroethyl)aziridineN146ClC(C)C1CN1InChI=1S/C4H8ClN/c1-3(5)4-2-6-4/h3-4,6H,2H2,1H3InChIKey=UEWQEKREENSWND-UHFFFAOYSA-N127.1Ex 127.10(BP est) -19.94(MP est) ----(BP exp) ----(MP exp) ClC(C)C1CN1 -19.9PredN
ClCCC1CN14593105.565C4H8ClN2-(2-chloroethyl)aziridineN146ClCCC1CN1InChI=1S/C4H8ClN/c5-2-1-4-3-6-4/h4,6H,1-3H2InChIKey=OZCAMKXPFKEZAS-UHFFFAOYSA-N152.9Ex 152.91(BP est) -4.90(MP est) ----(BP exp) ----(MP exp) ClCCC1CN1 -4.9PredN
CC1(CCl)CN14594105.565C4H8ClN2-(chloromethyl)-2-methylaziridineN146CC1(CCl)CN1InChI=1S/C4H8ClN/c1-4(2-5)3-6-4/h6H,2-3H2,1H3InChIKey=JYAUBMOVHGLLKM-UHFFFAOYSA-N141.2Ex 141.20(BP est) 3.63(MP est) ----(BP exp) ----(MP exp) CC1(CCl)CN1 3.6PredN
CC1C(CCl)N14595105.565C4H8ClN2-(chloromethyl)-3-methylaziridineN146CC1C(CCl)N1InChI=1S/C4H8ClN/c1-3-4(2-5)6-3/h3-4,6H,2H2,1H3InChIKey=LRECGHWTMCXOEZ-UHFFFAOYSA-N146.5Ex 146.51(BP est) -8.89(MP est) ----(BP exp) ----(MP exp) CC1C(CCl)N1 -8.9PredN
ClCC1NCC14596105.565C4H8ClN2-(chloromethyl)azetidineN146ClCC1NCC1InChI=1S/C4H8ClN/c5-3-4-1-2-6-4/h4,6H,1-3H2InChIKey=QRHKLKRNAVSAJX-UHFFFAOYSA-N154.9Ex 154.91(BP est) -6.08(MP est) ----(BP exp) ----(MP exp) ClCC1NCC1 -6.1PredN
NC1(CC1Cl)C4597105.565C4H8ClN2-chloro-1-methylcyclopropan-1-amineN146NC1(CC1Cl)CInChI=1S/C4H8ClN/c1-4(6)2-3(4)5/h3H,2,6H2,1H3InChIKey=VNELFSRICSWCLA-UHFFFAOYSA-N123.1Ex 123.05(BP est) -14.68(MP est) ----(BP exp) ----(MP exp) NC1(CC1Cl)C -14.7PredN
CC1C(Cl)(C)N14598105.565C4H8ClN2-chloro-2,3-dimethylaziridineN146CC1C(Cl)(C)N1InChI=1S/C4H8ClN/c1-3-4(2,5)6-3/h3,6H,1-2H3InChIKey=QDISAKCKUXKXBZ-UHFFFAOYSA-N109.4Ex 109.40(BP est) -7.78(MP est) ----(BP exp) ----(MP exp) CC1C(Cl)(C)N1 -7.8PredN
ClC1(CC)CN14599105.565C4H8ClN2-chloro-2-ethylaziridineN146ClC1(CC)CN1InChI=1S/C4H8ClN/c1-2-4(5)3-6-4/h6H,2-3H2,1H3InChIKey=AITBNIUDYXKLGS-UHFFFAOYSA-N116.2Ex 116.22(BP est) -3.66(MP est) ----(BP exp) ----(MP exp) ClC1(CC)CN1 -3.7PredN
ClC1(C)NCC14600105.565C4H8ClN2-chloro-2-methylazetidineN146ClC1(C)NCC1InChI=1S/C4H8ClN/c1-4(5)2-3-6-4/h6H,2-3H2,1H3InChIKey=ZXHRTUQKUJOPJE-UHFFFAOYSA-N118.4Ex 118.36(BP est) -4.80(MP est) ----(BP exp) ----(MP exp) ClC1(C)NCC1 -4.8PredN
ClC1C(CC)N14601105.565C4H8ClN2-chloro-3-ethylaziridineN146ClC1C(CC)N1InChI=1S/C4H8ClN/c1-2-3-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=ULIZPVWCVWWTQM-UHFFFAOYSA-N134.3Ex 134.25(BP est) -12.47(MP est) ----(BP exp) ----(MP exp) ClC1C(CC)N1 -12.5PredN
ClC1NCC1C4602105.565C4H8ClN2-chloro-3-methylazetidineN146ClC1NCC1CInChI=1S/C4H8ClN/c1-3-2-6-4(3)5/h3-4,6H,2H2,1H3InChIKey=GCTXBUIQGWJRKA-UHFFFAOYSA-N136.3Ex 136.33(BP est) -13.62(MP est) ----(BP exp) ----(MP exp) ClC1NCC1C -13.6PredN
ClC1CC(C)N14603105.565C4H8ClN2-chloro-4-methylazetidineN146ClC1CC(C)N1InChI=1S/C4H8ClN/c1-3-2-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=DRBJXJLUINFOJL-UHFFFAOYSA-N136.3Ex 136.33(BP est) -13.62(MP est) ----(BP exp) ----(MP exp) ClC1CC(C)N1 -13.6PredN
NCC(C=C)Cl4604105.565C4H8ClN2-chlorobut-3-en-1-amineN146NCC(C=C)ClInChI=1S/C4H8ClN/c1-2-4(5)3-6/h2,4H,1,3,6H2InChIKey=MRNWMBKXUYKUAR-UHFFFAOYSA-N122.4Ex 122.35(BP est) -42.06(MP est) ----(BP exp) ----(MP exp) NCC(C=C)Cl -42.1PredN
NC(C)(C=C)Cl4605105.565C4H8ClN2-chlorobut-3-en-2-amineN146NC(C)(C=C)ClInChI=1S/C4H8ClN/c1-3-4(2,5)6/h3H,1,6H2,2H3InChIKey=AIUUIAJDQSPEQN-UHFFFAOYSA-N100.2Ex 100.16(BP est) -39.83(MP est) ----(BP exp) ----(MP exp) NC(C)(C=C)Cl -39.8PredN
NC1CCC1Cl4606105.565C4H8ClN2-chlorocyclobutan-1-amineN146NC1CCC1ClInChI=1S/C4H8ClN/c5-3-1-2-4(3)6/h3-4H,1-2,6H2InChIKey=CEILXTFCPCQWLD-UHFFFAOYSA-N137.2Ex 137.21(BP est) -24.25(MP est) ----(BP exp) ----(MP exp) NC1CCC1Cl -24.3PredN
CNC1CC1Cl4607105.565C4H8ClN2-chloro-N-methylcyclopropan-1-amineN146CNC1CC1ClInChI=1S/C4H8ClN/c1-6-4-2-3(4)5/h3-4,6H,2H2,1H3InChIKey=YJYQXVCBYLEUPW-UHFFFAOYSA-N117.1Ex 117.13(BP est) -43.65(MP est) ----(BP exp) ----(MP exp) CNC1CC1Cl -43.7PredN
CNCC(Cl)=C4608105.565C4H8ClN2-chloro-N-methylprop-2-en-1-amineN146CNCC(Cl)=CInChI=1S/C4H8ClN/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=MUDBBWMXLXNKTQ-UHFFFAOYSA-N96.7Ex 96.68(BP est) -64.34(MP est) ----(BP exp) ----(MP exp) CNCC(Cl)=C -64.3PredN
ClC1NCCC14609105.565C4H8ClN2-chloropyrrolidineN146ClC1NCCC1InChI=1S/C4H8ClN/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=XSFVWLQKSOLMQF-UHFFFAOYSA-N144.9Ex 144.89(BP est) -10.76(MP est) ----(BP exp) ----(MP exp) ClC1NCCC1 -10.8PredN
ClCC1CNC14610105.565C4H8ClN3-(chloromethyl)azetidineN146ClCC1CNC1InChI=1S/C4H8ClN/c5-1-4-2-6-3-4/h4,6H,1-3H2InChIKey=ZSVSHVVHSCJJHE-UHFFFAOYSA-N154.9Ex 154.91(BP est) -6.08(MP est) ----(BP exp) ----(MP exp) ClCC1CNC1 -6.1PredN
ClC1C(C)(C)N14611105.565C4H8ClN3-chloro-2,2-dimethylaziridineN146ClC1C(C)(C)N1InChI=1S/C4H8ClN/c1-4(2)3(5)6-4/h3,6H,1-2H3InChIKey=XFBAPYXENNTJGN-UHFFFAOYSA-N122.2Ex 122.15(BP est) -4.06(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(C)N1 -4.1PredN
CC1NCC1Cl4612105.565C4H8ClN3-chloro-2-methylazetidineN146CC1NCC1ClInChI=1S/C4H8ClN/c1-3-4(5)2-6-3/h3-4,6H,2H2,1H3InChIKey=LCYBVTRYCXFOQA-UHFFFAOYSA-N136.3Ex 136.33(BP est) -13.62(MP est) ----(BP exp) ----(MP exp) CC1NCC1Cl -13.6PredN
ClC1(C)CNC14613105.565C4H8ClN3-chloro-3-methylazetidineN146ClC1(C)CNC1InChI=1S/C4H8ClN/c1-4(5)2-6-3-4/h6H,2-3H2,1H3InChIKey=RLSWLNQMCZSNTG-UHFFFAOYSA-N118.4Ex 118.36(BP est) -4.80(MP est) ----(BP exp) ----(MP exp) ClC1(C)CNC1 -4.8PredN
NCCC(Cl)=C4614105.565C4H8ClN3-chlorobut-3-en-1-amineN146NCCC(Cl)=CInChI=1S/C4H8ClN/c1-4(5)2-3-6/h1-3,6H2InChIKey=QWZABTGKWQCMGM-UHFFFAOYSA-N115.3Ex 115.28(BP est) -43.60(MP est) ----(BP exp) ----(MP exp) NCCC(Cl)=C -43.6PredN
NC(C(Cl)=C)C4615105.565C4H8ClN3-chlorobut-3-en-2-amineN146NC(C(Cl)=C)CInChI=1S/C4H8ClN/c1-3(5)4(2)6/h4H,1,6H2,2H3InChIKey=UBVYIFPDJLBVNJ-UHFFFAOYSA-N101.0Ex 100.99(BP est) -55.28(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)=C)C -55.3PredN
NC1CC(Cl)C14616105.565C4H8ClN3-chlorocyclobutan-1-amineN146NC1CC(Cl)C1InChI=1S/C4H8ClN/c5-3-1-4(6)2-3/h3-4H,1-2,6H2InChIKey=PDZYRHPVCWHKOD-UHFFFAOYSA-N137.2Ex 137.21(BP est) -24.25(MP est) ----(BP exp) ----(MP exp) NC1CC(Cl)C1 -24.3PredN
CNCC=CCl4617105.565C4H8ClN3-chloro-N-methylprop-2-en-1-amineN146CNCC=CClInChI=1S/C4H8ClN/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=YZICGISILCYTHR-UHFFFAOYSA-N112.3Ex 112.32(BP est) -54.45(MP est) ----(BP exp) ----(MP exp) CNCC=CCl -54.5PredN
ClC1CCNC14618105.565C4H8ClN3-chloropyrrolidineN146ClC1CCNC1InChI=1S/C4H8ClN/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=SIMYCJOGGRXQIY-UHFFFAOYSA-N144.9Ex 144.89(BP est) -10.76(MP est) ----(BP exp) ----(MP exp) ClC1CCNC1 -10.8PredN
NCCC=CCl4619105.565C4H8ClN4-chlorobut-3-en-1-amineN146NCCC=CClInChI=1S/C4H8ClN/c5-3-1-2-4-6/h1,3H,2,4,6H2InChIKey=QPXYSYQMXDSCMS-UHFFFAOYSA-N130.5Ex 130.46(BP est) -33.85(MP est) ----(BP exp) ----(MP exp) NCCC=CCl -33.9PredN
NC(C=CCl)C4620105.565C4H8ClN4-chlorobut-3-en-2-amineN146NC(C=CCl)CInChI=1S/C4H8ClN/c1-4(6)2-3-5/h2-4H,6H2,1H3InChIKey=CTVKIEYKOVOJKA-UHFFFAOYSA-N116.5Ex 116.52(BP est) -45.42(MP est) ----(BP exp) ----(MP exp) NC(C=CCl)C -45.4PredN
NC(C1CC1)Cl4621105.565C4H8ClNchloro(cyclopropyl)methanamineN146NC(C1CC1)ClInChI=1S/C4H8ClN/c5-4(6)3-1-2-3/h3-4H,1-2,6H2InChIKey=QEGUUHICQJDGPE-UHFFFAOYSA-N128.0Ex 127.99(BP est) -30.56(MP est) ----(BP exp) ----(MP exp) NC(C1CC1)Cl -30.6PredN
ClCNC1CC14622105.565C4H8ClNN-(chloromethyl)cyclopropanamineN146ClCNC1CC1InChI=1S/C4H8ClN/c5-3-6-4-1-2-4/h4,6H,1-3H2InChIKey=ZZORBJCBQZDJOO-UHFFFAOYSA-N136.4Ex 136.35(BP est) -35.92(MP est) ----(BP exp) ----(MP exp) ClCNC1CC1 -35.9PredN
ClCNCC=C4623105.565C4H8ClNN-(chloromethyl)prop-2-en-1-amineN146ClCNCC=CInChI=1S/C4H8ClN/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=SRNTVBAGSZIESP-UHFFFAOYSA-N130.8Ex 130.78(BP est) -47.40(MP est) ----(BP exp) ----(MP exp) ClCNCC=C -47.4PredN
BrC#N4624105.922CBrNcyanic bromideN33BrC#NInChI=1S/CBrN/c2-1-3InChIKey=ATDGTVJJHBUTRL-UHFFFAOYSA-N61.2Ex 125.76(BP est) -43.78(MP est) ----(BP exp) ----(MP exp) BrC#N -43.8PredY(Vanelslander et al. 2012)
O=P(O)(C#C)O4631106.017C2H3O3Pethynylphosphonic acidN96O=P(O)(C#C)OInChI=1S/C2H3O3P/c1-2-6(3,4)5/h1H,(H2,3,4,5)InChIKey=GGABWRGYJHJXJO-UHFFFAOYSA-N271.4Ex 271.35(BP est) 43.08(MP est) ----(BP exp) ----(MP exp) O=P(O)(C#C)O 43.1PredN
O=PC(F)C=C4632106.036C3H4FOP(1-fluoroallyl)(oxo)phosphaneN106O=PC(F)C=CInChI=1S/C3H4FOP/c1-2-3(4)6-5/h2-3H,1H2InChIKey=HCKNUGYENQWVLV-UHFFFAOYSA-N94.7Ex 94.71(BP est) -78.88(MP est) ----(BP exp) ----(MP exp) O=PC(F)C=C -78.9PredN
O=PCC(F)=C4634106.036C3H4FOP(2-fluoroallyl)(oxo)phosphaneN106O=PCC(F)=CInChI=1S/C3H4FOP/c1-3(4)2-6-5/h1-2H2InChIKey=QJZZLTDAJFQBAH-UHFFFAOYSA-N102.7Ex 102.65(BP est) -76.04(MP est) ----(BP exp) ----(MP exp) O=PCC(F)=C -76PredN
O=PCC=CF4635106.036C3H4FOP(3-fluoroallyl)(oxo)phosphaneN106O=PCC=CFInChI=1S/C3H4FOP/c4-2-1-3-6-5/h1-2H,3H2InChIKey=DWIUYNOBUSWQSP-UHFFFAOYSA-N118.1Ex 118.14(BP est) -66.19(MP est) ----(BP exp) ----(MP exp) O=PCC=CF -66.2PredN
FC#CPOC4638106.036C3H4FOP(fluoroethynyl)(methoxy)phosphaneN106FC#CPOCInChI=1S/C3H4FOP/c1-5-6-3-2-4/h6H,1H3InChIKey=SBMFZYOLWUXLRM-UHFFFAOYSA-N84.8Ex 84.81(BP est) -34.91(MP est) ----(BP exp) ----(MP exp) FC#CPOC -34.9PredN
O=P(C)C#CF4639106.036C3H4FOP(fluoroethynyl)(methyl)phosphine oxideN106O=P(C)C#CFInChI=1S/C3H4FOP/c1-6(5)3-2-4/h6H,1H3InChIKey=WBAOCRIFCUBYMO-UHFFFAOYSA-N125.7Ex 125.65(BP est) -16.60(MP est) ----(BP exp) ----(MP exp) O=P(C)C#CF -16.6PredN
O=P1C=CC1F4640106.036C3H4FOP2-fluoro-2H-phosphete 1-oxideN106O=P1C=CC1FInChI=1S/C3H4FOP/c4-3-1-2-6(3)5/h1-3,6HInChIKey=OHBKTEWUBGEKQD-UHFFFAOYSA-N115.8Ex 115.83(BP est) -63.17(MP est) ----(BP exp) ----(MP exp) O=P1C=CC1F -63.2PredN
O=P1C=C(F)C14642106.036C3H4FOP3-fluoro-2H-phosphete 1-oxideN106O=P1C=C(F)C1InChI=1S/C3H4FOP/c4-3-1-6(5)2-3/h1,6H,2H2InChIKey=WJPJJUISRSIHFF-UHFFFAOYSA-N120.6Ex 120.59(BP est) -53.40(MP est) ----(BP exp) ----(MP exp) O=P1C=C(F)C1 -53.4PredN
O=P1C(F)=CC14644106.036C3H4FOP4-fluoro-2H-phosphete 1-oxideN106O=P1C(F)=CC1InChI=1S/C3H4FOP/c4-3-1-2-6(3)5/h1,6H,2H2InChIKey=NHQWEACLVYXSPL-UHFFFAOYSA-N120.6Ex 120.59(BP est) -53.40(MP est) ----(BP exp) ----(MP exp) O=P1C(F)=CC1 -53.4PredN
O=P(CF)C#C4647106.036C3H4FOPethynyl(fluoromethyl)phosphine oxideN106O=P(CF)C#CInChI=1S/C3H4FOP/c1-2-6(5)3-4/h1,6H,3H2InChIKey=PSCQWRQJJAICGM-UHFFFAOYSA-N117.0Ex 116.99(BP est) -48.69(MP est) ----(BP exp) ----(MP exp) O=P(CF)C#C -48.7PredN
O=P1(O)CCC14648106.061C3H7O2P1-hydroxyphosphetane 1-oxideN136O=P1(O)CCC1InChI=1S/C3H7O2P/c4-6(5)2-1-3-6/h1-3H2,(H,4,5)InChIKey=GXFXXRGXUCTBEU-UHFFFAOYSA-N211.1Ex 211.08(BP est) -11.69(MP est) ----(BP exp) ----(MP exp) O=P1(O)CCC1 -11.7PredN
O=P1(OC)CC14649106.061C3H7O2P1-methoxyphosphirane 1-oxideN136O=P1(OC)CC1InChI=1S/C3H7O2P/c1-5-6(4)2-3-6/h2-3H2,1H3InChIKey=VJBLREWGULADKY-UHFFFAOYSA-N136.9Ex 136.89(BP est) -50.88(MP est) ----(BP exp) ----(MP exp) O=P1(OC)CC1 -50.9PredN
O=P(CC=C)O4650106.061C3H7O2Pallylphosphinic acidN136O=P(CC=C)OInChI=1S/C3H7O2P/c1-2-3-6(4)5/h2,6H,1,3H2,(H,4,5)InChIKey=ZFTYTEXTMQFIEK-UHFFFAOYSA-N202.4Ex 202.41(BP est) -18.00(MP est) ----(BP exp) ----(MP exp) O=P(CC=C)O -18PredN
CC(C)OP=O4652106.061C3H7O2Pisopropyl phospheniteN136CC(C)OP=OInChI=1S/C3H7O2P/c1-3(2)5-6-4/h3H,1-2H3InChIKey=BZUATXRJYQEIML-UHFFFAOYSA-N118.9Ex 118.85(BP est) -60.13(MP est) ----(BP exp) ----(MP exp) CC(C)OP=O -60.1PredN
C=CP(O)OC4653106.061C3H7O2Pmethyl hydrogen vinylphosphoniteN136C=CP(O)OCInChI=1S/C3H7O2P/c1-3-6(4)5-2/h3-4H,1H2,2H3InChIKey=KXKJQRVVYYOXAP-UHFFFAOYSA-N168.0Ex 167.98(BP est) -35.12(MP est) ----(BP exp) ----(MP exp) C=CP(O)OC -35.1PredN
O=P(C=C)OC4654106.061C3H7O2Pmethyl vinylphosphinateN136O=P(C=C)OCInChI=1S/C3H7O2P/c1-3-6(4)5-2/h3,6H,1H2,2H3InChIKey=JBVDSGOAAVNQJC-UHFFFAOYSA-N128.9Ex 128.91(BP est) -58.75(MP est) ----(BP exp) ----(MP exp) O=P(C=C)OC -58.8PredN
CPC(F)C=C4656106.08C4H8FP(1-fluoroallyl)(methyl)phosphaneN146CPC(F)C=CInChI=1S/C4H8FP/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=DINTVOCZCBOEIS-UHFFFAOYSA-N48.5Ex 48.45(BP est) -112.43(MP est) ----(BP exp) ----(MP exp) CPC(F)C=C -112.4PredN
FC(PC=C)C4657106.08C4H8FP(1-fluoroethyl)(vinyl)phosphaneN146FC(PC=C)CInChI=1S/C4H8FP/c1-3-6-4(2)5/h3-4,6H,1H2,2H3InChIKey=ZGMBSOUBZGMGEF-UHFFFAOYSA-N48.5Ex 48.45(BP est) -112.43(MP est) ----(BP exp) ----(MP exp) FC(PC=C)C -112.4PredN
CP(C)C(F)=C4658106.08C4H8FP(1-fluorovinyl)dimethylphosphaneN146CP(C)C(F)=CInChI=1S/C4H8FP/c1-4(5)6(2)3/h1H2,2-3H3InChIKey=RPDSWCFSZIDPBW-UHFFFAOYSA-N58.0Ex 57.97(BP est) -109.82(MP est) ----(BP exp) ----(MP exp) CP(C)C(F)=C -109.8PredN
CPCC(F)=C4659106.08C4H8FP(2-fluoroallyl)(methyl)phosphaneN146CPCC(F)=CInChI=1S/C4H8FP/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=KJQBOFCTQNJRQH-UHFFFAOYSA-N56.9Ex 56.94(BP est) -109.43(MP est) ----(BP exp) ----(MP exp) CPCC(F)=C -109.4PredN
FCCPC=C4660106.08C4H8FP(2-fluoroethyl)(vinyl)phosphaneN146FCCPC=CInChI=1S/C4H8FP/c1-2-6-4-3-5/h2,6H,1,3-4H2InChIKey=DPIWVRXMAIRJFV-UHFFFAOYSA-N63.9Ex 63.89(BP est) -100.42(MP est) ----(BP exp) ----(MP exp) FCCPC=C -100.4PredN
CP(C)C=CF4661106.08C4H8FP(2-fluorovinyl)dimethylphosphaneN146CP(C)C=CFInChI=1S/C4H8FP/c1-6(2)4-3-5/h3-4H,1-2H3InChIKey=KSYZCRSQMVHABA-UHFFFAOYSA-N74.5Ex 74.53(BP est) -99.66(MP est) ----(BP exp) ----(MP exp) CP(C)C=CF -99.7PredN
CPCC=CF4662106.08C4H8FP(3-fluoroallyl)(methyl)phosphaneN146CPCC=CFInChI=1S/C4H8FP/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=PDENDHFNRMHJMD-UHFFFAOYSA-N73.5Ex 73.53(BP est) -99.27(MP est) ----(BP exp) ----(MP exp) CPCC=CF -99.3PredN
CP(CF)C=C4663106.08C4H8FP(fluoromethyl)(methyl)(vinyl)phosphaneN146CP(CF)C=CInChI=1S/C4H8FP/c1-3-6(2)4-5/h3H,1,4H2,2H3InChIKey=LISATDUEXVMHNE-UHFFFAOYSA-N64.9Ex 64.91(BP est) -100.81(MP est) ----(BP exp) ----(MP exp) CP(CF)C=C -100.8PredN
FC(P1CC1)C4664106.08C4H8FP1-(1-fluoroethyl)phosphiraneN146FC(P1CC1)CInChI=1S/C4H8FP/c1-4(5)6-2-3-6/h4H,2-3H2,1H3InChIKey=XKLYEPSJUYGOAN-UHFFFAOYSA-N60.9Ex 60.85(BP est) -95.77(MP est) ----(BP exp) ----(MP exp) FC(P1CC1)C -95.8PredN
FCCP1CC14665106.08C4H8FP1-(2-fluoroethyl)phosphiraneN146FCCP1CC1InChI=1S/C4H8FP/c5-1-2-6-3-4-6/h1-4H2InChIKey=YVDLSUCHDIDVQA-UHFFFAOYSA-N76.0Ex 76.03(BP est) -83.83(MP est) ----(BP exp) ----(MP exp) FCCP1CC1 -83.8PredN
FCP1CCC14666106.08C4H8FP1-(fluoromethyl)phosphetaneN146FCP1CCC1InChI=1S/C4H8FP/c5-4-6-2-1-3-6/h1-4H2InChIKey=JSPNOTVMZZXAEI-UHFFFAOYSA-N78.3Ex 78.31(BP est) -84.93(MP est) ----(BP exp) ----(MP exp) FCP1CCC1 -84.9PredN
FC1CP1CC4667106.08C4H8FP1-ethyl-2-fluorophosphiraneN146FC1CP1CCInChI=1S/C4H8FP/c1-2-6-3-4(6)5/h4H,2-3H2,1H3InChIKey=BXMWCZZFESJHAI-UHFFFAOYSA-N68.8Ex 68.78(BP est) -88.07(MP est) ----(BP exp) ----(MP exp) FC1CP1CC -88.1PredN
CP1C(F)CC14668106.08C4H8FP2-fluoro-1-methylphosphetaneN146CP1C(F)CC1InChI=1S/C4H8FP/c1-6-3-2-4(6)5/h4H,2-3H2,1H3InChIKey=OUXSHRIYUQJJDF-UHFFFAOYSA-N71.1Ex 71.08(BP est) -89.16(MP est) ----(BP exp) ----(MP exp) CP1C(F)CC1 -89.2PredN
FC1CCCP14669106.08C4H8FP2-fluorophospholaneN146FC1CCCP1InChI=1S/C4H8FP/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=SFMFMRSSRCFUSO-UHFFFAOYSA-N72.4Ex 72.37(BP est) -89.86(MP est) ----(BP exp) ----(MP exp) FC1CCCP1 -89.9PredN
CP1CC(F)C14670106.08C4H8FP3-fluoro-1-methylphosphetaneN146CP1CC(F)C1InChI=1S/C4H8FP/c1-6-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=BJRZTKXUWHEJJT-UHFFFAOYSA-N71.1Ex 71.08(BP est) -89.16(MP est) ----(BP exp) ----(MP exp) CP1CC(F)C1 -89.2PredN
FC1CPCC14671106.08C4H8FP3-fluorophospholaneN146FC1CPCC1InChI=1S/C4H8FP/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=CTSGPNJTYFOPJW-UHFFFAOYSA-N72.4Ex 72.37(BP est) -89.86(MP est) ----(BP exp) ----(MP exp) FC1CPCC1 -89.9PredN
FCPCC=C4672106.08C4H8FPallyl(fluoromethyl)phosphaneN146FCPCC=CInChI=1S/C4H8FP/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=FLFUZIONKRTKLA-UHFFFAOYSA-N63.9Ex 63.89(BP est) -100.42(MP est) ----(BP exp) ----(MP exp) FCPCC=C -100.4PredN
CCPC(F)=C4673106.08C4H8FPethyl(1-fluorovinyl)phosphaneN146CCPC(F)=CInChI=1S/C4H8FP/c1-3-6-4(2)5/h6H,2-3H2,1H3InChIKey=QQCCBBHSIVAHCO-UHFFFAOYSA-N56.9Ex 56.94(BP est) -109.43(MP est) ----(BP exp) ----(MP exp) CCPC(F)=C -109.4PredN
CCPC=CF4674106.08C4H8FPethyl(2-fluorovinyl)phosphaneN146CCPC=CFInChI=1S/C4H8FP/c1-2-6-4-3-5/h3-4,6H,2H2,1H3InChIKey=VSRNJNWHNAIOLA-UHFFFAOYSA-N73.5Ex 73.53(BP est) -99.27(MP est) ----(BP exp) ----(MP exp) CCPC=CF -99.3PredN
C(=O)(C(=S)O)O4675106.095C2H2O3S2-hydroxy-2-thioxoacetic acidN86C(=O)(C(=S)O)OInChI=1S/C2H2O3S/c3-1(4)2(5)6/h(H,3,4)(H,5,6)InChIKey=QXHPJWAXVTUDBA-UHFFFAOYSA-N276.6Ex 276.59(BP est) 70.70(MP est) ----(BP exp) ----(MP exp) C(=O)(C(=S)O)O 70.7PredN
C(=O)(N)N=S=O4676106.099CH2N2O2S1-(oxo-lambda4-sulfaneylidene)ureaN86C(=O)(N)N=S=OInChI=1S/CH2N2O2S/c2-1(4)3-6-5/h(H2,2,4)InChIKey=RISUTSCZAANJJQ-UHFFFAOYSA-N278.3Ex 278.30(BP est) 81.46(MP est) ----(BP exp) ----(MP exp) C(=O)(N)N=S=O 81.5PredN
O=S1N\N=C/O14677106.099CH2N2O2S3H-1,2,3,4-oxathiadiazole 2-oxideN86O=S1N\N=C/O1InChI=1S/CH2N2O2S/c4-6-3-2-1-5-6/h1,3HInChIKey=WVVZEEAORNADKL-UHFFFAOYSA-N284.0Ex 283.95(BP est) 76.71(MP est) ----(BP exp) ----(MP exp) O=S1N\N=C/O1 76.7PredN
O=S1/N=C\NO14678106.099CH2N2O2S5H-1,2,3,5-oxathiadiazole 2-oxideN86O=S1/N=C\NO1InChI=1S/CH2N2O2S/c4-6-3-1-2-5-6/h1H,(H,2,3)InChIKey=YSVFAMDLJASIGW-UHFFFAOYSA-N327.0Ex 326.99(BP est) 101.66(MP est) ----(BP exp) ----(MP exp) O=S1/N=C\NO1 101.7PredN
O=P(CC)CC4680106.105C4H11OPdiethylphosphine oxideN176O=P(CC)CCInChI=1S/C4H11OP/c1-3-6(5)4-2/h6H,3-4H2,1-2H3InChIKey=GXXPZLPHLAKYLM-UHFFFAOYSA-N129.7Ex 129.73(BP est) -63.11(MP est) ----(BP exp) ----(MP exp) O=P(CC)CC -63.1PredN
CP(CC)OC4681106.105C4H11OPethyl(methoxy)(methyl)phosphaneN176CP(CC)OCInChI=1S/C4H11OP/c1-4-6(3)5-2/h4H2,1-3H3InChIKey=NPDUXQCXSJZNAV-UHFFFAOYSA-N90.2Ex 90.15(BP est) -81.74(MP est) ----(BP exp) ----(MP exp) CP(CC)OC -81.7PredN
O=P(CC)(C)C4682106.105C4H11OPethyldimethylphosphine oxideN176O=P(CC)(C)CInChI=1S/C4H11OP/c1-4-6(2,3)5/h4H2,1-3H3InChIKey=DKPBGPGFLDMHRG-UHFFFAOYSA-N127.6Ex 127.61(BP est) -71.92(MP est) ----(BP exp) ----(MP exp) O=P(CC)(C)C -71.9PredN
CCCPOC4684106.105C4H11OPmethoxy(propyl)phosphaneN176CCCPOCInChI=1S/C4H11OP/c1-3-4-6-5-2/h6H,3-4H2,1-2H3InChIKey=CSPYLUUKDXAITR-UHFFFAOYSA-N89.2Ex 89.17(BP est) -81.34(MP est) ----(BP exp) ----(MP exp) CCCPOC -81.3PredN
O=P(C)CCC4685106.105C4H11OPmethyl(propyl)phosphine oxideN176O=P(C)CCCInChI=1S/C4H11OP/c1-3-4-6(2)5/h6H,3-4H2,1-2H3InChIKey=WZXNKGZETHOXRN-UHFFFAOYSA-N129.7Ex 129.73(BP est) -63.11(MP est) ----(BP exp) ----(MP exp) O=P(C)CCC -63.1PredN
O=S(C)(C=C)=O4686106.139C3H6O2S(methylsulfonyl)etheneN126O=S(C)(C=C)=OInChI=1S/C3H6O2S/c1-3-6(2,4)5/h3H,1H2,2H3InChIKey=WUIJTQZXUURFQU-UHFFFAOYSA-N164.8Ex 164.80(BP est) -9.39(MP est) ----(BP exp) ----(MP exp) O=S(C)(C=C)=O -9.4PredN
O=C(O)CSC4687106.139C3H6O2S2-(methylthio)acetic acidN126O=C(O)CSCInChI=1S/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)InChIKey=HGTBAIVLETUVCG-UHFFFAOYSA-N205.1Ex 205.13(BP est) 25.76(MP est) ----(BP exp) ----(MP exp) O=C(O)CSC 25.8PredY(Huynh-Ba et al. 2003)
SC(C)C(O)=O4688106.139C3H6O2S2-mercaptopropanoic acidN126SC(C)C(O)=OInChI=1S/C3H6O2S/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)InChIKey=PMNLUUOXGOOLSP-UHFFFAOYSA-N205.1Ex 205.08(BP est) 19.28(MP est) ----(BP exp) 12.00(MP exp) SC(C)C(O)=O 12ExptN
SC(C=O)CO4689106.139C3H6O2S3-hydroxy-2-mercaptopropanalN126SC(C=O)COInChI=1S/C3H6O2S/c4-1-3(6)2-5/h1,3,5-6H,2H2InChIKey=KFXMMDJTEXOROR-UHFFFAOYSA-N208.5Ex 208.51(BP est) -8.61(MP est) ----(BP exp) ----(MP exp) SC(C=O)CO -8.6PredN
O=C(O)CCS4690106.139C3H6O2S3-mercaptopropanoic acidN126O=C(O)CCSInChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)InChIKey=DKIDEFUBRARXTE-UHFFFAOYSA-N227.3Ex 216.77(BP est) 30.19(MP est) ----(BP exp) 18.00(MP exp) O=C(O)CCS 18ExptY(Kiene et al. 1990, Visscher and Kiene 1994)
SCC(OC)=O4691106.139C3H6O2Smethyl 2-mercaptoacetateN126SCC(OC)=OInChI=1S/C3H6O2S/c1-5-3(4)2-6/h6H,2H2,1H3InChIKey=MKIJJIMOAABWGF-UHFFFAOYSA-N145.0Ex 136.43(BP est) -52.40(MP est) 148.00(BP exp) ----(MP exp) SCC(OC)=O -52.4PredY(The Good Scents Company , Obando-Ulloa et al. 2008)
O=S1(CCC1)=O4692106.139C3H6O2Sthietane 1,1-dioxideN126O=S1(CCC1)=OInChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2InChIKey=FCFMKFHUNDYKEG-UHFFFAOYSA-N176.1Ex 176.14(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) O=S1(CCC1)=O 5.9PredN
O=S=NN(C)C4693106.143C2H6N2OS(2,2-dimethylhydrazineylidene)-lambda4-sulfanoneN126O=S=NN(C)CInChI=1S/C2H6N2OS/c1-4(2)3-6-5/h1-2H3InChIKey=UFBUHFJBKZYCAI-UHFFFAOYSA-N180.2Ex 180.16(BP est) -10.24(MP est) ----(BP exp) ----(MP exp) O=S=NN(C)C -10.2PredN
S=C(N)NCO4694106.143C2H6N2OS1-(hydroxymethyl)thioureaN126S=C(N)NCOInChI=1S/C2H6N2OS/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)InChIKey=CALBDOUFMLLGQH-UHFFFAOYSA-N236.9Ex 236.91(BP est) 47.16(MP est) ----(BP exp) ----(MP exp) S=C(N)NCO 47.2PredN
O=C(S)N(N)C4695106.143C2H6N2OS1-methylhydrazine-1-carbothioic S-acidN126O=C(S)N(N)CInChI=1S/C2H6N2OS/c1-4(3)2(5)6/h3H2,1H3,(H,5,6)InChIKey=JOBJHCXWFKOBAS-UHFFFAOYSA-N223.4Ex 223.40(BP est) 35.60(MP est) ----(BP exp) ----(MP exp) O=C(S)N(N)C 35.6PredN
SCC(NN)=O4696106.143C2H6N2OS2-mercaptoacetohydrazideN126SCC(NN)=OInChI=1S/C2H6N2OS/c3-4-2(5)1-6/h6H,1,3H2,(H,4,5)InChIKey=VLERMNIUDRUNQO-UHFFFAOYSA-N283.6Ex 283.60(BP est) 82.09(MP est) ----(BP exp) ----(MP exp) SCC(NN)=O 82.1PredN
O=NNCCS4697106.143C2H6N2OSN-(2-mercaptoethyl)nitrous amideN126O=NNCCSInChI=1S/C2H6N2OS/c5-4-3-1-2-6/h6H,1-2H2,(H,3,5)InChIKey=UCDUJIBOBSIFAA-UHFFFAOYSA-N136.0Ex 136.04(BP est) 2.70(MP est) ----(BP exp) ----(MP exp) O=NNCCS 2.7PredN
CSNC(=N)O4698106.143C2H6N2OSN-(methylthio)carbamimidic acidN126CSNC(=N)OInChI=1S/C2H6N2OS/c1-6-4-2(3)5/h1H3,(H3,3,4,5)InChIKey=BRHMVXPORIZQNX-UHFFFAOYSA-N247.1Ex 247.11(BP est) 43.21(MP est) ----(BP exp) ----(MP exp) CSNC(=N)O 43.2PredN
S=C(OC)NN4699106.143C2H6N2OSO-methyl hydrazinecarbothioateN126S=C(OC)NNInChI=1S/C2H6N2OS/c1-5-2(6)4-3/h3H2,1H3,(H,4,6)InChIKey=LNWHCOPMPXKPNZ-UHFFFAOYSA-N184.5Ex 184.47(BP est) 14.54(MP est) ----(BP exp) ----(MP exp) S=C(OC)NN 14.5PredN
O=NSCCN4700106.143C2H6N2OSS-(2-aminoethyl) nitrothioiteN126O=NSCCNInChI=1S/C2H6N2OS/c3-1-2-6-4-5/h1-3H2InChIKey=VNEAYYCHMUGPDK-UHFFFAOYSA-N140.1Ex 140.14(BP est) 18.17(MP est) ----(BP exp) ----(MP exp) O=NSCCN 18.2PredN
F[Si]1(CC=C1)F4701106.147C3H4F2Si1,1-difluoro-1,2-dihydrosileteN106F[Si]1(CC=C1)FInChI=1S/C3H4F2Si/c4-6(5)2-1-3-6/h1-2H,3H2InChIKey=PXMFQTGBWHVIOK-UHFFFAOYSA-N-2.8Ex -2.75(BP est) -75.94(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC=C1)F -75.9PredN
F[Si](C)(C#C)F4702106.147C3H4F2Siethynyldifluoro(methyl)silaneN106F[Si](C)(C#C)FInChI=1S/C3H4F2Si/c1-3-6(2,4)5/h1H,2H3InChIKey=HWGQANPATOVLNJ-UHFFFAOYSA-N6.7Ex 6.67(BP est) -101.67(MP est) ----(BP exp) ----(MP exp) F[Si](C)(C#C)F -101.7PredN
S=C(NN)NN4703106.147CH6N4ShydrazinecarbothiohydrazideN126S=C(NN)NNInChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)InChIKey=LJTFFORYSFGNCT-UHFFFAOYSA-N232.8Ex 232.83(BP est) 61.32(MP est) ----(BP exp) 170.00(MP exp) S=C(NN)NN 170ExptN
O\1SS/C=C/14704106.157C2H2OS21,2,3-oxadithioleN75O\1SS/C=C/1InChI=1S/C2H2OS2/c1-2-4-5-3-1/h1-2HInChIKey=JBPWRHDFVVEDTJ-UHFFFAOYSA-N155.1Ex 155.05(BP est) 6.69(MP est) ----(BP exp) ----(MP exp) O\1SS/C=C/1 6.7PredN
O=C1SSC14705106.157C2H2OS21,2-dithietan-3-oneN75O=C1SSC1InChI=1S/C2H2OS2/c3-2-1-4-5-2/h1H2InChIKey=JPRNFSLGCXMKTG-UHFFFAOYSA-N183.3Ex 183.27(BP est) 15.24(MP est) ----(BP exp) ----(MP exp) O=C1SSC1 15.2PredN
CSC(F)(C=C)4706106.158C4H7FS(1-fluoroallyl)(methyl)sulfaneN136CSC(F)(C=C)InChI=1S/C4H7FS/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=SJPAEYHTBFLITO-UHFFFAOYSA-N78.7Ex 78.68(BP est) -93.90(MP est) ----(BP exp) ----(MP exp) CSC(F)(C=C) -93.9PredN
CSC(F)(C1)(C1)4707106.158C4H7FS(1-fluorocyclopropyl)(methyl)sulfaneN136CSC(F)(C1)(C1)InChI=1S/C4H7FS/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=IVIQIGQLDMXUNJ-UHFFFAOYSA-N86.6Ex 86.58(BP est) -62.30(MP est) ----(BP exp) ----(MP exp) CSC(F)(C1)(C1) -62.3PredN
SCC(F)(C1)(C1)4708106.158C4H7FS(1-fluorocyclopropyl)methanethiolN136SCC(F)(C1)(C1)InChI=1S/C4H7FS/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=IDPAEKRQVMGNDF-UHFFFAOYSA-N101.1Ex 101.13(BP est) -57.02(MP est) ----(BP exp) ----(MP exp) SCC(F)(C1)(C1) -57PredN
C(F)(C)SC=C4709106.158C4H7FS(1-fluoroethyl)(vinyl)sulfaneN136C(F)(C)SC=CInChI=1S/C4H7FS/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=HRROJPWCFNTOGH-UHFFFAOYSA-N78.7Ex 78.68(BP est) -93.90(MP est) ----(BP exp) ----(MP exp) C(F)(C)SC=C -93.9PredN
CSC(F)=C(C)4710106.158C4H7FS(1-fluoroprop-1-en-1-yl)(methyl)sulfaneN136CSC(F)=C(C)InChI=1S/C4H7FS/c1-3-4(5)6-2/h3H,1-2H3InChIKey=LQZXQSNEJNZYST-UHFFFAOYSA-N96.1Ex 96.14(BP est) -89.95(MP est) ----(BP exp) ----(MP exp) CSC(F)=C(C) -90PredN
CSC(C)=C(F)4711106.158C4H7FS(1-fluoroprop-1-en-2-yl)(methyl)sulfaneN136CSC(C)=C(F)InChI=1S/C4H7FS/c1-4(3-5)6-2/h3H,1-2H3InChIKey=VTFXTPAPKBJMAM-UHFFFAOYSA-N96.1Ex 96.14(BP est) -89.95(MP est) ----(BP exp) ----(MP exp) CSC(C)=C(F) -90PredN
CSC(C(F)=C)4712106.158C4H7FS(2-fluoroallyl)(methyl)sulfaneN136CSC(C(F)=C)InChI=1S/C4H7FS/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=HOLQOJYSGBQAIT-UHFFFAOYSA-N86.8Ex 86.82(BP est) -91.01(MP est) ----(BP exp) ----(MP exp) CSC(C(F)=C) -91PredN
CSC(C1)(C1F)4713106.158C4H7FS(2-fluorocyclopropyl)(methyl)sulfaneN136CSC(C1)(C1F)InChI=1S/C4H7FS/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=KSEKATDPVGAVPS-UHFFFAOYSA-N92.4Ex 92.38(BP est) -74.67(MP est) ----(BP exp) ----(MP exp) CSC(C1)(C1F) -74.7PredN
SCC(C1)(C1F)4714106.158C4H7FS(2-fluorocyclopropyl)methanethiolN136SCC(C1)(C1F)InChI=1S/C4H7FS/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=SIJTYNJKJVVZMQ-UHFFFAOYSA-N106.8Ex 106.81(BP est) -69.43(MP est) ----(BP exp) ----(MP exp) SCC(C1)(C1F) -69.4PredN
C(CF)SC=C4715106.158C4H7FS(2-fluoroethyl)(vinyl)sulfaneN136C(CF)SC=CInChI=1S/C4H7FS/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=HMHUHGQSSRCAIW-UHFFFAOYSA-N93.5Ex 93.48(BP est) -82.09(MP est) ----(BP exp) ----(MP exp) C(CF)SC=C -82.1PredN
CSC=C(F)(C)4716106.158C4H7FS(2-fluoroprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(F)(C)InChI=1S/C4H7FS/c1-4(5)3-6-2/h3H,1-2H3InChIKey=GIOAWXSICCRRAE-UHFFFAOYSA-N96.1Ex 96.14(BP est) -89.95(MP est) ----(BP exp) ----(MP exp) CSC=C(F)(C) -90PredN
CSC(C=CF)4717106.158C4H7FS(3-fluoroallyl)(methyl)sulfaneN136CSC(C=CF)InChI=1S/C4H7FS/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=QNNRFKRCNSPXJS-UHFFFAOYSA-N102.7Ex 102.70(BP est) -81.05(MP est) ----(BP exp) ----(MP exp) CSC(C=CF) -81.1PredN
CSC=C(CF)4718106.158C4H7FS(3-fluoroprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(CF)InChI=1S/C4H7FS/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=HUCFPPRXLOXXED-UHFFFAOYSA-N102.7Ex 102.70(BP est) -81.05(MP est) ----(BP exp) ----(MP exp) CSC=C(CF) -81.1PredN
CSC(CF)=C4719106.158C4H7FS(3-fluoroprop-1-en-2-yl)(methyl)sulfaneN136CSC(CF)=CInChI=1S/C4H7FS/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=XYNUXTRVKBMTSS-UHFFFAOYSA-N86.8Ex 86.82(BP est) -91.01(MP est) ----(BP exp) ----(MP exp) CSC(CF)=C -91PredN
C(F)SC=C(C)4720106.158C4H7FS(fluoromethyl)(prop-1-en-1-yl)sulfaneN136C(F)SC=C(C)InChI=1S/C4H7FS/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=VSJZZPQWCXVSJA-UHFFFAOYSA-N102.7Ex 102.70(BP est) -81.05(MP est) ----(BP exp) ----(MP exp) C(F)SC=C(C) -81.1PredN
C(F)SC(C)=C4721106.158C4H7FS(fluoromethyl)(prop-1-en-2-yl)sulfaneN136C(F)SC(C)=CInChI=1S/C4H7FS/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=SZFUYZKIEKWAST-UHFFFAOYSA-N86.8Ex 86.82(BP est) -91.01(MP est) ----(BP exp) ----(MP exp) C(F)SC(C)=C -91PredN
SC(CF)(C1)(C1)4722106.158C4H7FS1-(fluoromethyl)cyclopropane-1-thiolN136SC(CF)(C1)(C1)InChI=1S/C4H7FS/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=UMNZDWLFCWJDMT-UHFFFAOYSA-N101.1Ex 101.13(BP est) -57.02(MP est) ----(BP exp) ----(MP exp) SC(CF)(C1)(C1) -57PredN
SC(F)(CC=C)4723106.158C4H7FS1-fluorobut-3-ene-1-thiolN136SC(F)(CC=C)InChI=1S/C4H7FS/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=NFGPJFCIXQDBQE-UHFFFAOYSA-N93.4Ex 93.41(BP est) -88.58(MP est) ----(BP exp) ----(MP exp) SC(F)(CC=C) -88.6PredN
SC(CF)(C=C)4724106.158C4H7FS1-fluorobut-3-ene-2-thiolN136SC(CF)(C=C)InChI=1S/C4H7FS/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=HWEGWXIJZDAYEC-UHFFFAOYSA-N93.4Ex 93.41(BP est) -88.58(MP est) ----(BP exp) ----(MP exp) SC(CF)(C=C) -88.6PredN
SC(F)(C1)(CC1)4725106.158C4H7FS1-fluorocyclobutane-1-thiolN136SC(F)(C1)(CC1)InChI=1S/C4H7FS/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=POJVCFRKIGXTBF-UHFFFAOYSA-N103.3Ex 103.32(BP est) -58.14(MP est) ----(BP exp) ----(MP exp) SC(F)(C1)(CC1) -58.1PredN
FC(C)C1CS14726106.158C4H7FS2-(1-fluoroethyl)thiiraneN136FC(C)C1CS1InChI=1S/C4H7FS/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=ZEEZKVUURHDXKF-UHFFFAOYSA-N82.0Ex 82.04(BP est) -61.55(MP est) ----(BP exp) ----(MP exp) FC(C)C1CS1 -61.6PredN
FCCC1CS14727106.158C4H7FS2-(2-fluoroethyl)thiiraneN136FCCC1CS1InChI=1S/C4H7FS/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=HZPOPCXQVFRODR-UHFFFAOYSA-N96.8Ex 96.77(BP est) -49.75(MP est) ----(BP exp) ----(MP exp) FCCC1CS1 -49.8PredN
CC1(CF)CS14728106.158C4H7FS2-(fluoromethyl)-2-methylthiiraneN136CC1(CF)CS1InChI=1S/C4H7FS/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=VYUZVUKNLKAVPQ-UHFFFAOYSA-N83.9Ex 83.90(BP est) -41.56(MP est) ----(BP exp) ----(MP exp) CC1(CF)CS1 -41.6PredN
CC1C(CF)S14729106.158C4H7FS2-(fluoromethyl)-3-methylthiiraneN136CC1C(CF)S1InChI=1S/C4H7FS/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=SHRBLGSDWCGZMW-UHFFFAOYSA-N89.7Ex 89.73(BP est) -53.92(MP est) ----(BP exp) ----(MP exp) CC1C(CF)S1 -53.9PredN
FCC1SCC14730106.158C4H7FS2-(fluoromethyl)thietaneN136FCC1SCC1InChI=1S/C4H7FS/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=OPSOESOVIRIQTF-UHFFFAOYSA-N99.0Ex 98.97(BP est) -50.87(MP est) ----(BP exp) ----(MP exp) FCC1SCC1 -50.9PredN
FC1(CC)CS14731106.158C4H7FS2-ethyl-2-fluorothiiraneN136FC1(CC)CS1InChI=1S/C4H7FS/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=PAGSVBGBTZWKNF-UHFFFAOYSA-N83.9Ex 83.90(BP est) -41.56(MP est) ----(BP exp) ----(MP exp) FC1(CC)CS1 -41.6PredN
FC1C(CC)S14732106.158C4H7FS2-ethyl-3-fluorothiiraneN136FC1C(CC)S1InChI=1S/C4H7FS/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=HERVDHVIYMVJTP-UHFFFAOYSA-N89.7Ex 89.73(BP est) -53.92(MP est) ----(BP exp) ----(MP exp) FC1C(CC)S1 -53.9PredN
SC(C)(C1)(C1F)4733106.158C4H7FS2-fluoro-1-methylcyclopropane-1-thiolN136SC(C)(C1)(C1F)InChI=1S/C4H7FS/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=VGYDTBYYHLZISD-UHFFFAOYSA-N94.1Ex 94.14(BP est) -61.18(MP est) ----(BP exp) ----(MP exp) SC(C)(C1)(C1F) -61.2PredN
CC1C(F)(C)S14734106.158C4H7FS2-fluoro-2,3-dimethylthiiraneN136CC1C(F)(C)S1InChI=1S/C4H7FS/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=BDUCGAARMXOBGL-UHFFFAOYSA-N76.7Ex 76.72(BP est) -45.77(MP est) ----(BP exp) ----(MP exp) CC1C(F)(C)S1 -45.8PredN
FC1(C)SCC14735106.158C4H7FS2-fluoro-2-methylthietaneN136FC1(C)SCC1InChI=1S/C4H7FS/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=GMIXAWGKQQCRHR-UHFFFAOYSA-N86.2Ex 86.15(BP est) -42.66(MP est) ----(BP exp) ----(MP exp) FC1(C)SCC1 -42.7PredN
FC1SCC1C4736106.158C4H7FS2-fluoro-3-methylthietaneN136FC1SCC1CInChI=1S/C4H7FS/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=WISMITPZOXDLCL-UHFFFAOYSA-N92.0Ex 91.96(BP est) -55.03(MP est) ----(BP exp) ----(MP exp) FC1SCC1C -55PredN
FC1CC(C)S14737106.158C4H7FS2-fluoro-4-methylthietaneN136FC1CC(C)S1InChI=1S/C4H7FS/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=PQXWITNELAZOQR-UHFFFAOYSA-N92.0Ex 91.96(BP est) -55.03(MP est) ----(BP exp) ----(MP exp) FC1CC(C)S1 -55PredN
SC(C(F)C=C)4738106.158C4H7FS2-fluorobut-3-ene-1-thiolN136SC(C(F)C=C)InChI=1S/C4H7FS/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=LZDXCCISGDENME-UHFFFAOYSA-N93.4Ex 93.41(BP est) -88.58(MP est) ----(BP exp) ----(MP exp) SC(C(F)C=C) -88.6PredN
SC(F)(C)(C=C)4739106.158C4H7FS2-fluorobut-3-ene-2-thiolN136SC(F)(C)(C=C)InChI=1S/C4H7FS/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=PWCHTTPVCKOONP-UHFFFAOYSA-N83.7Ex 83.71(BP est) -82.70(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(C=C) -82.7PredN
SC(C1)(C(F)C1)4740106.158C4H7FS2-fluorocyclobutane-1-thiolN136SC(C1)(C(F)C1)InChI=1S/C4H7FS/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=IVALNYLBYUVKHG-UHFFFAOYSA-N109.0Ex 108.98(BP est) -70.56(MP est) ----(BP exp) ----(MP exp) SC(C1)(C(F)C1) -70.6PredN
C(C1)SC(F)(C1)4741106.158C4H7FS2-fluorotetrahydrothiopheneN136C(C1)SC(F)(C1)InChI=1S/C4H7FS/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=UKRANWFKOJSLIE-UHFFFAOYSA-N101.2Ex 101.18(BP est) -51.98(MP est) ----(BP exp) ----(MP exp) C(C1)SC(F)(C1) -52PredN
FCC1CSC14742106.158C4H7FS3-(fluoromethyl)thietaneN136FCC1CSC1InChI=1S/C4H7FS/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=QLWVISOLBXJSEJ-UHFFFAOYSA-N99.0Ex 98.97(BP est) -50.87(MP est) ----(BP exp) ----(MP exp) FCC1CSC1 -50.9PredN
FC1C(C)(C)S14743106.158C4H7FS3-fluoro-2,2-dimethylthiiraneN136FC1C(C)(C)S1InChI=1S/C4H7FS/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=JQOYKOGSFADJQT-UHFFFAOYSA-N76.7Ex 76.72(BP est) -45.77(MP est) ----(BP exp) ----(MP exp) FC1C(C)(C)S1 -45.8PredN
CC1SCC1F4744106.158C4H7FS3-fluoro-2-methylthietaneN136CC1SCC1FInChI=1S/C4H7FS/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=BJUSJIROVCWNNM-UHFFFAOYSA-N92.0Ex 91.96(BP est) -55.03(MP est) ----(BP exp) ----(MP exp) CC1SCC1F -55PredN
FC1(C)CSC14745106.158C4H7FS3-fluoro-3-methylthietaneN136FC1(C)CSC1InChI=1S/C4H7FS/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=VLRXPFFOKWJCPP-UHFFFAOYSA-N86.2Ex 86.15(BP est) -42.66(MP est) ----(BP exp) ----(MP exp) FC1(C)CSC1 -42.7PredN
SC(CC(F)=C)4746106.158C4H7FS3-fluorobut-3-ene-1-thiolN136SC(CC(F)=C)InChI=1S/C4H7FS/c1-4(5)2-3-6/h6H,1-3H2InChIKey=CWPVDOTVQGXQFA-UHFFFAOYSA-N101.4Ex 101.36(BP est) -85.73(MP est) ----(BP exp) ----(MP exp) SC(CC(F)=C) -85.7PredN
SC(C)(C(F)=C)4747106.158C4H7FS3-fluorobut-3-ene-2-thiolN136SC(C)(C(F)=C)InChI=1S/C4H7FS/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=GSJYFNNEYCPIPI-UHFFFAOYSA-N86.8Ex 86.75(BP est) -97.50(MP est) ----(BP exp) ----(MP exp) SC(C)(C(F)=C) -97.5PredN
SC(C1)(CC1F)4748106.158C4H7FS3-fluorocyclobutane-1-thiolN136SC(C1)(CC1F)InChI=1S/C4H7FS/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=UZNCXEZARHZUCH-UHFFFAOYSA-N109.0Ex 108.98(BP est) -70.56(MP est) ----(BP exp) ----(MP exp) SC(C1)(CC1F) -70.6PredN
C(C1)SC(C1F)4749106.158C4H7FS3-fluorotetrahydrothiopheneN136C(C1)SC(C1F)InChI=1S/C4H7FS/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=TUYIAYYVEMAPRT-UHFFFAOYSA-N101.2Ex 101.18(BP est) -51.98(MP est) ----(BP exp) ----(MP exp) C(C1)SC(C1F) -52PredN
SC(CC=CF)4750106.158C4H7FS4-fluorobut-3-ene-1-thiolN136SC(CC=CF)InChI=1S/C4H7FS/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=QUALDFQCNFLGJQ-UHFFFAOYSA-N116.9Ex 116.89(BP est) -75.88(MP est) ----(BP exp) ----(MP exp) SC(CC=CF) -75.9PredN
SC(C)(C=CF)4751106.158C4H7FS4-fluorobut-3-ene-2-thiolN136SC(C)(C=CF)InChI=1S/C4H7FS/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=RTWUGURIHMDHRW-UHFFFAOYSA-N102.6Ex 102.63(BP est) -87.54(MP est) ----(BP exp) ----(MP exp) SC(C)(C=CF) -87.5PredN
C(F)SC(C=C)4752106.158C4H7FSallyl(fluoromethyl)sulfaneN136C(F)SC(C=C)InChI=1S/C4H7FS/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=YVHZFDGAGJLTJD-UHFFFAOYSA-N93.5Ex 93.48(BP est) -82.09(MP est) ----(BP exp) ----(MP exp) C(F)SC(C=C) -82.1PredN
C(F)SC(C1)(C1)4753106.158C4H7FScyclopropyl(fluoromethyl)sulfaneN136C(F)SC(C1)(C1)InChI=1S/C4H7FS/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=FMYHGJVEYVPRJL-UHFFFAOYSA-N99.4Ex 99.39(BP est) -70.51(MP est) ----(BP exp) ----(MP exp) C(F)SC(C1)(C1) -70.5PredN
SC(F)C(C1)(C1)4754106.158C4H7FScyclopropylfluoromethanethiolN136SC(F)C(C1)(C1)InChI=1S/C4H7FS/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=KUHWHNHFURLIBG-UHFFFAOYSA-N99.3Ex 99.32(BP est) -77.00(MP est) ----(BP exp) ----(MP exp) SC(F)C(C1)(C1) -77PredN
C(C)SC(F)=C4755106.158C4H7FSethyl(1-fluorovinyl)sulfaneN136C(C)SC(F)=CInChI=1S/C4H7FS/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=HWBFKGKEUXEXDI-UHFFFAOYSA-N86.8Ex 86.82(BP est) -91.01(MP est) ----(BP exp) ----(MP exp) C(C)SC(F)=C -91PredN
C(C)SC=C(F)4756106.158C4H7FSethyl(2-fluorovinyl)sulfaneN136C(C)SC=C(F)InChI=1S/C4H7FS/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=SZJWXBJJAXOCHF-UHFFFAOYSA-N102.7Ex 102.70(BP est) -81.05(MP est) ----(BP exp) ----(MP exp) C(C)SC=C(F) -81.1PredN
C1=NNSS14757106.161CH2N2S23H-1,2,3,4-dithiadiazoleN75C1=NNSS1InChI=1S/CH2N2S2/c1-2-3-5-4-1/h1,3HInChIKey=WSYXFYIAMXEAJT-UHFFFAOYSA-N250.1Ex 250.11(BP est) 68.09(MP est) ----(BP exp) ----(MP exp) C1=NNSS1 68.1PredN
FC[Si]1(O)CC14758106.171C3H7FOSi1-(fluoromethyl)siliran-1-olN136FC[Si]1(O)CC1InChI=1S/C3H7FOSi/c4-3-6(5)1-2-6/h5H,1-3H2InChIKey=OCJZVUOVZBLSIZ-UHFFFAOYSA-N104.3Ex 104.32(BP est) -13.19(MP est) ----(BP exp) ----(MP exp) FC[Si]1(O)CC1 -13.2PredN
F[Si]1(OC)CC14759106.171C3H7FOSi1-fluoro-1-methoxysiliraneN136F[Si]1(OC)CC1InChI=1S/C3H7FOSi/c1-5-6(4)2-3-6/h2-3H2,1H3InChIKey=HQEGSUCWVAGYMQ-UHFFFAOYSA-N16.9Ex 16.85(BP est) -58.02(MP est) ----(BP exp) ----(MP exp) F[Si]1(OC)CC1 -58PredN
F[Si]1(O)CCC14760106.171C3H7FOSi1-fluorosiletan-1-olN136F[Si]1(O)CCC1InChI=1S/C3H7FOSi/c4-6(5)2-1-3-6/h5H,1-3H2InChIKey=FOELFPIZMWWFKQ-UHFFFAOYSA-N106.5Ex 106.51(BP est) -14.31(MP est) ----(BP exp) ----(MP exp) F[Si]1(O)CCC1 -14.3PredN
C[Si]1(O)CC1F4761106.171C3H7FOSi2-fluoro-1-methylsiliran-1-olN136C[Si]1(O)CC1FInChI=1S/C3H7FOSi/c1-6(5)2-3(6)4/h3,5H,2H2,1H3InChIKey=UTPUDVZJXXUXFJ-UHFFFAOYSA-N97.4Ex 97.37(BP est) -17.34(MP est) ----(BP exp) ----(MP exp) C[Si]1(O)CC1F -17.3PredN
F[Si](C=C)(O)C4762106.171C3H7FOSifluoro(methyl)(vinyl)silanolN136F[Si](C=C)(O)CInChI=1S/C3H7FOSi/c1-3-6(2,4)5/h3,5H,1H2,2H3InChIKey=NUNYSAGXJJNAQH-UHFFFAOYSA-N107.7Ex 107.66(BP est) -66.44(MP est) ----(BP exp) ----(MP exp) F[Si](C=C)(O)C -66.4PredN
COCCSC4763106.183C4H10OS(2-methoxyethyl)(methyl)sulfaneN166COCCSCInChI=1S/C4H10OS/c1-5-3-4-6-2/h3-4H2,1-2H3InChIKey=FIUYYKGOPZCCRI-UHFFFAOYSA-N131.0Ex 117.66(BP est) -63.32(MP est) ----(BP exp) ----(MP exp) COCCSC -63.3PredN
O=S(CC)CC4764106.183C4H10OS(ethylsulfinyl)ethaneN166O=S(CC)CCInChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3InChIKey=CCAFPWNGIUBUSD-UHFFFAOYSA-N172.7Ex 172.67(BP est) -25.58(MP est) ----(BP exp) 14.00(MP exp) O=S(CC)CC 14ExptY(El-Sayed 2014)
OC(C)CSC4765106.183C4H10OS1-(methylthio)propan-2-olN166OC(C)CSCInChI=1S/C4H10OS/c1-4(5)3-6-2/h4-5H,3H2,1-2H3InChIKey=VHMYGROEIUZTQW-UHFFFAOYSA-N157.8Ex 157.79(BP est) -39.81(MP est) ----(BP exp) ----(MP exp) OC(C)CSC -39.8PredN
SC(C)COC4766106.183C4H10OS1-methoxypropane-2-thiolN166SC(C)COCInChI=1S/C4H10OS/c1-4(6)3-5-2/h4,6H,3H2,1-2H3InChIKey=YZTWNEPIIVEOLN-UHFFFAOYSA-N117.6Ex 117.59(BP est) -69.81(MP est) ----(BP exp) ----(MP exp) SC(C)COC -69.8PredN
OCCSCC4767106.183C4H10OS2-(ethylthio)ethan-1-olN166OCCSCCInChI=1S/C4H10OS/c1-2-6-4-3-5/h5H,2-4H2,1H3InChIKey=LNRIEBFNWGMXKP-UHFFFAOYSA-N181.5Ex 177.54(BP est) -26.55(MP est) 184.00(BP exp) -100.00(MP exp) OCCSCC -100ExptN
SCCOCC4768106.183C4H10OS2-ethoxyethane-1-thiolN166SCCOCCInChI=1S/C4H10OS/c1-2-5-3-4-6/h6H,2-4H2,1H3InChIKey=ZKHZEAOYIJBZBM-UHFFFAOYSA-N131.5Ex 131.51(BP est) -58.25(MP est) ----(BP exp) ----(MP exp) SCCOCC -58.3PredN
OCCCSC4769106.183C4H10OS3-(methylthio)propan-1-olN166OCCCSCInChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N177.5Ex 177.54(BP est) -26.55(MP est) ----(BP exp) ----(MP exp) OCCCSC -26.6PredY(Gross et al. 1989, Schulz and Dickschat 2007, DNP 2017)
SCC(C)CO4770106.183C4H10OS3-mercapto-2-methylpropan-1-olN166SCC(C)COInChI=1S/C4H10OS/c1-4(2-5)3-6/h4-6H,2-3H2,1H3InChIKey=FCIVYWQHILCTLI-UHFFFAOYSA-N177.5Ex 177.48(BP est) -33.03(MP est) ----(BP exp) ----(MP exp) SCC(C)CO -33PredY(Swiegers and Pretorius 2005)
SC(C)CCO4771106.183C4H10OS3-mercaptobutan-1-olN166SC(C)CCOInChI=1S/C4H10OS/c1-4(6)2-3-5/h4-6H,2-3H2,1H3InChIKey=PHRRYVOQWOVNLF-UHFFFAOYSA-N177.5Ex 177.48(BP est) -33.03(MP est) ----(BP exp) ----(MP exp) SC(C)CCO -33PredN
SC(C)C(C)O4772106.183C4H10OS3-mercaptobutan-2-olN166SC(C)C(C)OInChI=1S/C4H10OS/c1-3(5)4(2)6/h3-6H,1-2H3InChIKey=MJQWABQELVFQJL-UHFFFAOYSA-N157.7Ex 157.73(BP est) -46.30(MP est) ----(BP exp) ----(MP exp) SC(C)C(C)O -46.3PredN
SCCCOC4773106.183C4H10OS3-methoxypropane-1-thiolN166SCCCOCInChI=1S/C4H10OS/c1-5-3-2-4-6/h6H,2-4H2,1H3InChIKey=SUBKXISIZSZEQQ-UHFFFAOYSA-N131.5Ex 131.51(BP est) -58.25(MP est) ----(BP exp) ----(MP exp) SCCCOC -58.3PredN
SCCCCO4774106.183C4H10OS4-mercaptobutan-1-olN166SCCCCOInChI=1S/C4H10OS/c5-3-1-2-4-6/h5-6H,1-4H2InChIKey=NEJMTSWXTZREOC-UHFFFAOYSA-N189.9Ex 189.92(BP est) -21.90(MP est) ----(BP exp) ----(MP exp) SCCCCO -21.9PredN
CSCCNN4775106.187C3H10N2S(2-(methylthio)ethyl)hydrazineN166CSCCNNInChI=1S/C3H10N2S/c1-6-3-2-5-4/h5H,2-4H2,1H3InChIKey=YZPOSOXLGVKHCZ-UHFFFAOYSA-N172.8Ex 172.84(BP est) 4.00(MP est) ----(BP exp) ----(MP exp) CSCCNN 4PredN
C(C(CN)S)N4776106.187C3H10N2S1,3-diaminopropane-2-thiolN166C(C(CN)S)NInChI=1S/C3H10N2S/c4-1-3(6)2-5/h3,6H,1-2,4-5H2InChIKey=RMUGAJWISYBOON-UHFFFAOYSA-N189.0Ex 189.01(BP est) 17.55(MP est) ----(BP exp) ----(MP exp) C(C(CN)S)N 17.6PredN
CN(N)CCS4777106.187C3H10N2S2-(1-methylhydrazineyl)ethane-1-thiolN166CN(N)CCSInChI=1S/C3H10N2S/c1-5(4)2-3-6/h6H,2-4H2,1H3InChIKey=RQFQHEITBPYSKQ-UHFFFAOYSA-N166.5Ex 166.52(BP est) -6.92(MP est) ----(BP exp) ----(MP exp) CN(N)CCS -6.9PredN
SCC(N)CN4778106.187C3H10N2S2,3-diaminopropane-1-thiolN166SCC(N)CNInChI=1S/C3H10N2S/c4-1-3(5)2-6/h3,6H,1-2,4-5H2InChIKey=KFCAJDUOSGKVSB-UHFFFAOYSA-N189.0Ex 189.01(BP est) 17.55(MP est) ----(BP exp) ----(MP exp) SCC(N)CN 17.6PredN
CC(CS)NN4779106.187C3H10N2S2-hydrazineylpropane-1-thiolN166CC(CS)NNInChI=1S/C3H10N2S/c1-3(2-6)5-4/h3,5-6H,2,4H2,1H3InChIKey=AXCHRGRIFJMMPF-UHFFFAOYSA-N172.8Ex 172.78(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) CC(CS)NN -2.5PredN
SC(N)NCC4780106.187C3H10N2Samino(ethylamino)methanethiolN166SC(N)NCCInChI=1S/C3H10N2S/c1-2-5-3(4)6/h3,5-6H,2,4H2,1H3InChIKey=KWPAOYVGLVSERZ-UHFFFAOYSA-N172.8Ex 172.78(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) SC(N)NCC -2.5PredN
C[Si](O)(OC)C4781106.196C3H10O2SimethoxydimethylsilanolN166C[Si](O)(OC)CInChI=1S/C3H10O2Si/c1-5-6(2,3)4/h4H,1-3H3InChIKey=FPMRWEIDCWFCHY-UHFFFAOYSA-N131.3Ex 131.30(BP est) -47.83(MP est) ----(BP exp) ----(MP exp) C[Si](O)(OC)C -47.8PredN
S1CSCC14782106.201C3H6S21,3-dithiolaneN115S1CSCC1InChI=1S/C3H6S2/c1-2-5-3-4-1/h1-3H2InChIKey=IMLSAISZLJGWPP-UHFFFAOYSA-N175.0Ex 146.21(BP est) -3.92(MP est) 175.00(BP exp) -50.00(MP exp) S1CSCC1 -50ExptN
C[Si](C)(CF)C4783106.215C4H11FSi(fluoromethyl)trimethylsilaneN176C[Si](C)(CF)CInChI=1S/C4H11FSi/c1-6(2,3)4-5/h4H2,1-3H3InChIKey=JFYOSQHKLFCHSF-UHFFFAOYSA-N21.6Ex 21.59(BP est) -115.46(MP est) ----(BP exp) ----(MP exp) C[Si](C)(CF)C -115.5PredN
F[Si](C)(CC)C4784106.215C4H11FSiethylfluorodimethylsilaneN176F[Si](C)(CC)CInChI=1S/C4H11FSi/c1-4-6(2,3)5/h4H2,1-3H3InChIKey=FEVSKBNHAFDREP-UHFFFAOYSA-N21.6Ex 21.59(BP est) -115.46(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CC)C -115.5PredN
O=PC#CCl4787106.445C2ClOP(chloroethynyl)(oxo)phosphaneN55O=PC#CClInChI=1S/C2ClOP/c3-1-2-5-4InChIKey=YEEAAUALBLLIFR-UHFFFAOYSA-N136.9Ex 136.93(BP est) 3.91(MP est) ----(BP exp) ----(MP exp) O=PC#CCl 3.9PredN
ClC(P)C#C4788106.489C3H4ClP(1-chloroprop-2-yn-1-yl)phosphaneN95ClC(P)C#CInChI=1S/C3H4ClP/c1-2-3(4)5/h1,3H,5H2InChIKey=KJBGAQIRRNYEHM-UHFFFAOYSA-N106.1Ex 106.08(BP est) -54.03(MP est) ----(BP exp) ----(MP exp) ClC(P)C#C -54PredN
PCC#CCl4789106.489C3H4ClP(3-chloroprop-2-yn-1-yl)phosphaneN95PCC#CClInChI=1S/C3H4ClP/c4-2-1-3-5/h3,5H2InChIKey=OTMONWATGVIWLH-UHFFFAOYSA-N114.2Ex 114.19(BP est) -14.59(MP est) ----(BP exp) ----(MP exp) PCC#CCl -14.6PredN
CPC#CCl4790106.489C3H4ClP(chloroethynyl)(methyl)phosphaneN95CPC#CClInChI=1S/C3H4ClP/c1-5-3-2-4/h5H,1H3InChIKey=ZDZFQSBYJQLCCU-UHFFFAOYSA-N93.7Ex 93.68(BP est) -28.77(MP est) ----(BP exp) ----(MP exp) CPC#CCl -28.8PredN
ClCPC#C4791106.489C3H4ClP(chloromethyl)(ethynyl)phosphaneN95ClCPC#CInChI=1S/C3H4ClP/c1-2-5-3-4/h1,5H,3H2InChIKey=KXNBHEMUKGXNJB-UHFFFAOYSA-N112.9Ex 112.93(BP est) -52.71(MP est) ----(BP exp) ----(MP exp) ClCPC#C -52.7PredN
ClC1C=CP14792106.489C3H4ClP2-chloro-1,2-dihydrophospheteN95ClC1C=CP1InChI=1S/C3H4ClP/c4-3-1-2-5-3/h1-3,5HInChIKey=CFETWQXUSJVCMJ-UHFFFAOYSA-N98.8Ex 98.76(BP est) -70.98(MP est) ----(BP exp) ----(MP exp) ClC1C=CP1 -71PredN
ClC1=CPC14793106.489C3H4ClP3-chloro-1,2-dihydrophospheteN95ClC1=CPC1InChI=1S/C3H4ClP/c4-3-1-5-2-3/h1,5H,2H2InChIKey=XJTMKTVMDCJCHN-UHFFFAOYSA-N88.4Ex 88.35(BP est) -65.64(MP est) ----(BP exp) ----(MP exp) ClC1=CPC1 -65.6PredN
ClC1=CCP14794106.489C3H4ClP4-chloro-1,2-dihydrophospheteN95ClC1=CCP1InChI=1S/C3H4ClP/c4-3-1-2-5-3/h1,5H,2H2InChIKey=FWASQYQJQNQNCB-UHFFFAOYSA-N88.4Ex 88.35(BP est) -65.64(MP est) ----(BP exp) ----(MP exp) ClC1=CCP1 -65.6PredN
OC(=O)C(Cl)=C4795106.505C3H3ClO22-chloroacrylic acidN96OC(=O)C(Cl)=CInChI=1S/C3H3ClO2/c1-2(4)3(5)6/h1H2,(H,5,6)InChIKey=SZTBMYHIYNGYIA-UHFFFAOYSA-N170.1Ex 170.07(BP est) 5.43(MP est) ----(BP exp) 66.00(MP exp) OC(=O)C(Cl)=C 66ExptY(Woolard et al. 1979)
OC(=O)C=C(Cl)4796106.505C3H3ClO23-chloroacrylic acidN96OC(=O)C=C(Cl)InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)InChIKey=MHMUCYJKZUZMNJ-UHFFFAOYSA-N183.8Ex 183.79(BP est) 14.75(MP est) ----(BP exp) 81.00(MP exp) OC(=O)C=C(Cl) 81ExptY(Kladi et al. 2004)
C(Cl)(F)=C(C1)(C1)4797106.524C4H4ClF(chlorofluoromethylene)cyclopropaneN106C(Cl)(F)=C(C1)(C1)InChI=1S/C4H4ClF/c5-4(6)3-1-2-3/h1-2H2InChIKey=KIPGUOJRIFNXHN-UHFFFAOYSA-N69.5Ex 69.48(BP est) -81.16(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(C1)(C1) -81.2PredN
ClC(F)C1=CC14798106.524C4H4ClF1-(chlorofluoromethyl)cycloprop-1-eneN106ClC(F)C1=CC1InChI=1S/C4H4ClF/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=ZNSSMSPIHAZNHA-UHFFFAOYSA-N74.9Ex 74.86(BP est) -78.65(MP est) ----(BP exp) ----(MP exp) ClC(F)C1=CC1 -78.7PredN
FC(C1)=C1CCl4799106.524C4H4ClF1-(chloromethyl)-2-fluorocycloprop-1-eneN106FC(C1)=C1CClInChI=1S/C4H4ClF/c5-2-3-1-4(3)6/h1-2H2InChIKey=SPWOWMXKSCTXBW-UHFFFAOYSA-N100.9Ex 100.87(BP est) -57.30(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1CCl -57.3PredN
ClCC1=CC1F4800106.524C4H4ClF1-(chloromethyl)-3-fluorocycloprop-1-eneN106ClCC1=CC1FInChI=1S/C4H4ClF/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=LYCLJJGWUVOFQT-UHFFFAOYSA-N96.0Ex 95.96(BP est) -67.11(MP est) ----(BP exp) ----(MP exp) ClCC1=CC1F -67.1PredN
C(Cl)=C(C1)(C1F)4801106.524C4H4ClF1-(chloromethylene)-2-fluorocyclopropaneN106C(Cl)=C(C1)(C1F)InChI=1S/C4H4ClF/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=KFIKRQNYLVSSJG-UHFFFAOYSA-N69.1Ex 69.06(BP est) -76.43(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C1)(C1F) -76.4PredN
C=C(C1)(C1(Cl)F)4802106.524C4H4ClF1-chloro-1-fluoro-2-methylenecyclopropaneN106C=C(C1)(C1(Cl)F)InChI=1S/C4H4ClF/c1-3-2-4(3,5)6/h1-2H2InChIKey=YCWRNTUBYXRLOZ-UHFFFAOYSA-N48.1Ex 48.08(BP est) -68.94(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C1(Cl)F) -68.9PredN
C(C)#C(C(Cl)F)4803106.524C4H4ClF1-chloro-1-fluorobut-2-yneN106C(C)#C(C(Cl)F)InChI=1S/C4H4ClF/c1-2-3-4(5)6/h4H,1H3InChIKey=TXMXLXAWKPBSBZ-UHFFFAOYSA-N80.3Ex 80.30(BP est) -41.74(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(Cl)F) -41.7PredN
C=C(C=C(Cl)F)4804106.524C4H4ClF1-chloro-1-fluorobuta-1,3-dieneN106C=C(C=C(Cl)F)InChI=1S/C4H4ClF/c1-2-3-4(5)6/h2-3H,1H2InChIKey=DAQMKRJGLRYHQD-UHFFFAOYSA-N53.4Ex 60.36(BP est) -103.51(MP est) ----(BP exp) ----(MP exp) C=C(C=C(Cl)F) -103.5PredN
ClC(C1)=C1CF4805106.524C4H4ClF1-chloro-2-(fluoromethyl)cycloprop-1-eneN106ClC(C1)=C1CFInChI=1S/C4H4ClF/c5-4-1-3(4)2-6/h1-2H2InChIKey=KQSIEXLMSVJFIH-UHFFFAOYSA-N72.0Ex 71.96(BP est) -65.74(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1CF -65.7PredN
C(F)=C(C1)(C1Cl)4806106.524C4H4ClF1-chloro-2-(fluoromethylene)cyclopropaneN106C(F)=C(C1)(C1Cl)InChI=1S/C4H4ClF/c5-4-1-3(4)2-6/h2,4H,1H2InChIKey=QMMHPIUPFOBYPA-UHFFFAOYSA-N84.8Ex 84.80(BP est) -71.83(MP est) ----(BP exp) ----(MP exp) C(F)=C(C1)(C1Cl) -71.8PredN
ClC(C1C)=C1F4807106.524C4H4ClF1-chloro-2-fluoro-3-methylcycloprop-1-eneN106ClC(C1C)=C1FInChI=1S/C4H4ClF/c1-2-3(5)4(2)6/h2H,1H3InChIKey=BGNZHSDHQNJKBT-UHFFFAOYSA-N64.7Ex 64.66(BP est) -69.99(MP est) ----(BP exp) ----(MP exp) ClC(C1C)=C1F -70PredN
C=C(C1Cl)(C1F)4808106.524C4H4ClF1-chloro-2-fluoro-3-methylenecyclopropaneN106C=C(C1Cl)(C1F)InChI=1S/C4H4ClF/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=HZTVECQEDZCQAL-UHFFFAOYSA-N68.1Ex 68.06(BP est) -77.18(MP est) ----(BP exp) ----(MP exp) C=C(C1Cl)(C1F) -77.2PredN
C=C(C(F)=CCl)4809106.524C4H4ClF1-chloro-2-fluorobuta-1,3-dieneN106C=C(C(F)=CCl)InChI=1S/C4H4ClF/c1-2-4(6)3-5/h2-3H,1H2InChIKey=MOGCPCFNQVXENK-UHFFFAOYSA-N60.4Ex 60.36(BP est) -103.51(MP est) ----(BP exp) ----(MP exp) C=C(C(F)=CCl) -103.5PredN
C(C1)(C(Cl)=C1F)4810106.524C4H4ClF1-chloro-2-fluorocyclobut-1-eneN106C(C1)(C(Cl)=C1F)InChI=1S/C4H4ClF/c5-3-1-2-4(3)6/h1-2H2InChIKey=FQXXHYGLWIBBOA-UHFFFAOYSA-N74.3Ex 74.25(BP est) -66.83(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Cl)=C1F) -66.8PredN
ClC1=CC1CF4811106.524C4H4ClF1-chloro-3-(fluoromethyl)cycloprop-1-eneN106ClC1=CC1CFInChI=1S/C4H4ClF/c5-4-1-3(4)2-6/h1,3H,2H2InChIKey=JZKLSONHQFLVAD-UHFFFAOYSA-N66.8Ex 66.83(BP est) -75.62(MP est) ----(BP exp) ----(MP exp) ClC1=CC1CF -75.6PredN
ClC(C1F)=C1C4812106.524C4H4ClF1-chloro-3-fluoro-2-methylcycloprop-1-eneN106ClC(C1F)=C1CInChI=1S/C4H4ClF/c1-2-3(5)4(2)6/h4H,1H3InChIKey=WYBRERFMCWVLBF-UHFFFAOYSA-N64.7Ex 64.66(BP est) -69.99(MP est) ----(BP exp) ----(MP exp) ClC(C1F)=C1C -70PredN
ClC1=CC1(C)F4813106.524C4H4ClF1-chloro-3-fluoro-3-methylcycloprop-1-eneN106ClC1=CC1(C)FInChI=1S/C4H4ClF/c1-4(6)2-3(4)5/h2H,1H3InChIKey=NJBZGTVLPXWIMR-UHFFFAOYSA-N53.4Ex 53.38(BP est) -67.59(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(C)F -67.6PredN
C(C(F)C#CCl)4814106.524C4H4ClF1-chloro-3-fluorobut-1-yneN106C(C(F)C#CCl)InChI=1S/C4H4ClF/c1-4(6)2-3-5/h4H,1H3InChIKey=XSJOSCARAULSGA-UHFFFAOYSA-N64.5Ex 64.45(BP est) -46.37(MP est) ----(BP exp) ----(MP exp) C(C(F)C#CCl) -46.4PredN
C=C(F)(C=CCl)4815106.524C4H4ClF1-chloro-3-fluorobuta-1,3-dieneN106C=C(F)(C=CCl)InChI=1S/C4H4ClF/c1-4(6)2-3-5/h2-3H,1H2InChIKey=ISZBWOFTQZOQGW-UHFFFAOYSA-N60.4Ex 60.36(BP est) -103.51(MP est) ----(BP exp) ----(MP exp) C=C(F)(C=CCl) -103.5PredN
C(C1F)(C(Cl)=C1)4816106.524C4H4ClF1-chloro-3-fluorocyclobut-1-eneN106C(C1F)(C(Cl)=C1)InChI=1S/C4H4ClF/c5-3-1-4(6)2-3/h1,4H,2H2InChIKey=MSNSUVDKZXJHDL-UHFFFAOYSA-N69.1Ex 69.14(BP est) -76.70(MP est) ----(BP exp) ----(MP exp) C(C1F)(C(Cl)=C1) -76.7PredN
C(F)(CC#CCl)4817106.524C4H4ClF1-chloro-4-fluorobut-1-yneN106C(F)(CC#CCl)InChI=1S/C4H4ClF/c5-3-1-2-4-6/h2,4H2InChIKey=LQEUPXNKKMSOKB-UHFFFAOYSA-N79.6Ex 79.55(BP est) -34.46(MP est) ----(BP exp) ----(MP exp) C(F)(CC#CCl) -34.5PredN
C(CCl)#C(CF)4818106.524C4H4ClF1-chloro-4-fluorobut-2-yneN106C(CCl)#C(CF)InChI=1S/C4H4ClF/c5-3-1-2-4-6/h3-4H2InChIKey=GQXNYLRVPRHOHQ-UHFFFAOYSA-N108.1Ex 108.14(BP est) -26.11(MP est) ----(BP exp) ----(MP exp) C(CCl)#C(CF) -26.1PredN
C(Cl)=C(C=CF)4819106.524C4H4ClF1-chloro-4-fluorobuta-1,3-dieneN106C(Cl)=C(C=CF)InChI=1S/C4H4ClF/c5-3-1-2-4-6/h1-4HInChIKey=WNNYBYQLKNIEKF-UHFFFAOYSA-N76.9Ex 76.87(BP est) -93.37(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C=CF) -93.4PredN
C(C1F)(C=C1Cl)4820106.524C4H4ClF1-chloro-4-fluorocyclobut-1-eneN106C(C1F)(C=C1Cl)InChI=1S/C4H4ClF/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=DUYJFDUPGXQQDL-UHFFFAOYSA-N69.1Ex 69.14(BP est) -76.70(MP est) ----(BP exp) ----(MP exp) C(C1F)(C=C1Cl) -76.7PredN
C=C(C(Cl)=CF)4821106.524C4H4ClF2-chloro-1-fluorobuta-1,3-dieneN106C=C(C(Cl)=CF)InChI=1S/C4H4ClF/c1-2-4(5)3-6/h2-3H,1H2InChIKey=RKCWUCXMQOATRJ-UHFFFAOYSA-N60.4Ex 60.36(BP est) -103.51(MP est) ----(BP exp) ----(MP exp) C=C(C(Cl)=CF) -103.5PredN
C=C(Cl)(C(F)=C)4822106.524C4H4ClF2-chloro-3-fluorobuta-1,3-dieneN106C=C(Cl)(C(F)=C)InChI=1S/C4H4ClF/c1-3(5)4(2)6/h1-2H2InChIKey=KWCVHOMYGLFVFJ-UHFFFAOYSA-N43.5Ex 43.46(BP est) -113.77(MP est) ----(BP exp) ----(MP exp) C=C(Cl)(C(F)=C) -113.8PredN
ClC(F)C1C=C14823106.524C4H4ClF3-(chlorofluoromethyl)cycloprop-1-eneN106ClC(F)C1C=C1InChI=1S/C4H4ClF/c5-4(6)3-1-2-3/h1-4HInChIKey=QXVVZFMUJVYKTF-UHFFFAOYSA-N69.8Ex 69.75(BP est) -88.52(MP est) ----(BP exp) ----(MP exp) ClC(F)C1C=C1 -88.5PredN
FC1=CC1CCl4824106.524C4H4ClF3-(chloromethyl)-1-fluorocycloprop-1-eneN106FC1=CC1CClInChI=1S/C4H4ClF/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=ACNKXIKXQGGJSD-UHFFFAOYSA-N96.0Ex 95.96(BP est) -67.11(MP est) ----(BP exp) ----(MP exp) FC1=CC1CCl -67.1PredN
FC1(CCl)C=C14825106.524C4H4ClF3-(chloromethyl)-3-fluorocycloprop-1-eneN106FC1(CCl)C=C1InChI=1S/C4H4ClF/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=UZNMLEUHNGPXQH-UHFFFAOYSA-N85.2Ex 85.19(BP est) -64.57(MP est) ----(BP exp) ----(MP exp) FC1(CCl)C=C1 -64.6PredN
FCC1=CC1Cl4826106.524C4H4ClF3-chloro-1-(fluoromethyl)cycloprop-1-eneN106FCC1=CC1ClInChI=1S/C4H4ClF/c5-4-1-3(4)2-6/h1,4H,2H2InChIKey=CUKKWULUAOTTJG-UHFFFAOYSA-N82.6Ex 82.63(BP est) -71.00(MP est) ----(BP exp) ----(MP exp) FCC1=CC1Cl -71PredN
FC(C1Cl)=C1C4827106.524C4H4ClF3-chloro-1-fluoro-2-methylcycloprop-1-eneN106FC(C1Cl)=C1CInChI=1S/C4H4ClF/c1-2-3(5)4(2)6/h3H,1H3InChIKey=NYKMPXBCNSTHBO-UHFFFAOYSA-N80.5Ex 80.50(BP est) -65.36(MP est) ----(BP exp) ----(MP exp) FC(C1Cl)=C1C -65.4PredN
FC1=CC1(C)Cl4828106.524C4H4ClF3-chloro-1-fluoro-3-methylcycloprop-1-eneN106FC1=CC1(C)ClInChI=1S/C4H4ClF/c1-4(5)2-3(4)6/h2H,1H3InChIKey=GNZXYRAEHIJPBF-UHFFFAOYSA-N55.7Ex 55.66(BP est) -66.93(MP est) ----(BP exp) ----(MP exp) FC1=CC1(C)Cl -66.9PredN
C(C(Cl)C#CF)4829106.524C4H4ClF3-chloro-1-fluorobut-1-yneN106C(C(Cl)C#CF)InChI=1S/C4H4ClF/c1-4(5)2-3-6/h4H,1H3InChIKey=DQDSQDHTXRLVAB-UHFFFAOYSA-N80.3Ex 80.30(BP est) -41.74(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C#CF) -41.7PredN
C=C(Cl)(C=CF)4830106.524C4H4ClF3-chloro-1-fluorobuta-1,3-dieneN106C=C(Cl)(C=CF)InChI=1S/C4H4ClF/c1-4(5)2-3-6/h2-3H,1H2InChIKey=QMUZKVDADJMXLT-UHFFFAOYSA-N60.4Ex 60.36(BP est) -103.51(MP est) ----(BP exp) ----(MP exp) C=C(Cl)(C=CF) -103.5PredN
C(C1Cl)(C(F)=C1)4831106.524C4H4ClF3-chloro-1-fluorocyclobut-1-eneN106C(C1Cl)(C(F)=C1)InChI=1S/C4H4ClF/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=SUQYVIMXYSJGQB-UHFFFAOYSA-N84.9Ex 84.88(BP est) -72.10(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C(F)=C1) -72.1PredN
ClC1(CF)C=C14832106.524C4H4ClF3-chloro-3-(fluoromethyl)cycloprop-1-eneN106ClC1(CF)C=C1InChI=1S/C4H4ClF/c5-4(3-6)1-2-4/h1-2H,3H2InChIKey=NBBWZRUFNDLAIS-UHFFFAOYSA-N57.9Ex 57.86(BP est) -72.54(MP est) ----(BP exp) ----(MP exp) ClC1(CF)C=C1 -72.5PredN
CC1=CC1(F)Cl4833106.524C4H4ClF3-chloro-3-fluoro-1-methylcycloprop-1-eneN106CC1=CC1(F)ClInChI=1S/C4H4ClF/c1-3-2-4(3,5)6/h2H,1H3InChIKey=NWSHPUNENUDPOM-UHFFFAOYSA-N55.7Ex 55.66(BP est) -66.93(MP est) ----(BP exp) ----(MP exp) CC1=CC1(F)Cl -66.9PredN
C(C(Cl)(F)C#C)4834106.524C4H4ClF3-chloro-3-fluorobut-1-yneN106C(C(Cl)(F)C#C)InChI=1S/C4H4ClF/c1-3-4(2,5)6/h1H,2H3InChIKey=HWEYYYZYLQNZLX-UHFFFAOYSA-N47.0Ex 46.99(BP est) -72.32(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(F)C#C) -72.3PredN
C(C1(Cl)F)(C=C1)4835106.524C4H4ClF3-chloro-3-fluorocyclobut-1-eneN106C(C1(Cl)F)(C=C1)InChI=1S/C4H4ClF/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=KTIUPPXTDSKSHF-UHFFFAOYSA-N60.2Ex 60.20(BP est) -73.62(MP est) ----(BP exp) ----(MP exp) C(C1(Cl)F)(C=C1) -73.6PredN
C(F)(C(Cl)C#C)4836106.524C4H4ClF3-chloro-4-fluorobut-1-yneN106C(F)(C(Cl)C#C)InChI=1S/C4H4ClF/c1-2-4(5)3-6/h1,4H,3H2InChIKey=GKDJLCGAHRQGAU-UHFFFAOYSA-N71.0Ex 71.00(BP est) -74.02(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)C#C) -74PredN
C(Cl)(C1F)(C=C1)4837106.524C4H4ClF3-chloro-4-fluorocyclobut-1-eneN106C(Cl)(C1F)(C=C1)InChI=1S/C4H4ClF/c5-3-1-2-4(3)6/h1-4HInChIKey=NCELYBKYTSMWPE-UHFFFAOYSA-N79.9Ex 79.85(BP est) -81.95(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1F)(C=C1) -82PredN
C(Cl)(CC#CF)4838106.524C4H4ClF4-chloro-1-fluorobut-1-yneN106C(Cl)(CC#CF)InChI=1S/C4H4ClF/c5-3-1-2-4-6/h1,3H2InChIKey=LXXBMAPCALCUSN-UHFFFAOYSA-N108.1Ex 108.14(BP est) -26.11(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC#CF) -26.1PredN
C(C1Cl)(C=C1F)4839106.524C4H4ClF4-chloro-1-fluorocyclobut-1-eneN106C(C1Cl)(C=C1F)InChI=1S/C4H4ClF/c5-3-1-2-4(3)6/h2-3H,1H2InChIKey=YSHPNZFVSAXJFS-UHFFFAOYSA-N84.9Ex 84.88(BP est) -72.10(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C=C1F) -72.1PredN
C(Cl)(C(F)C#C)4840106.524C4H4ClF4-chloro-3-fluorobut-1-yneN106C(Cl)(C(F)C#C)InChI=1S/C4H4ClF/c1-2-4(6)3-5/h1,4H,3H2InChIKey=JRGYILDHSQRWIJ-UHFFFAOYSA-N84.6Ex 84.56(BP est) -70.06(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)C#C) -70.1PredN
C(Cl)(F)(CC#C)4841106.524C4H4ClF4-chloro-4-fluorobut-1-yneN106C(Cl)(F)(CC#C)InChI=1S/C4H4ClF/c1-2-3-4(5)6/h1,4H,3H2InChIKey=FCYACLOAHNZXNR-UHFFFAOYSA-N71.0Ex 71.00(BP est) -74.02(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(CC#C) -74PredN
OCC1(CC1)Cl4842106.549C4H7ClO(1-chlorocyclopropyl)methanolN136OCC1(CC1)ClInChI=1S/C4H7ClO/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=SNYFNEFRNAQBAW-UHFFFAOYSA-N142.1Ex 142.14(BP est) -18.20(MP est) ----(BP exp) ----(MP exp) OCC1(CC1)Cl -18.2PredN
ClC(OC=C)C4843106.549C4H7ClO(1-chloroethoxy)etheneN136ClC(OC=C)CInChI=1S/C4H7ClO/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=MCHFODQOWYDZEB-UHFFFAOYSA-N83.8Ex 83.81(BP est) -83.83(MP est) ----(BP exp) ----(MP exp) ClC(OC=C)C -83.8PredN
OCC1CC1Cl4844106.549C4H7ClO(2-chlorocyclopropyl)methanolN136OCC1CC1ClInChI=1S/C4H7ClO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=FXUQPSPDDULYHZ-UHFFFAOYSA-N159.4Ex 159.37(BP est) -27.24(MP est) ----(BP exp) ----(MP exp) OCC1CC1Cl -27.2PredN
ClCCOC=C4845106.549C4H7ClO(2-chloroethoxy)etheneN136ClCCOC=CInChI=1S/C4H7ClO/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=DNJRKFKAFWSXSE-UHFFFAOYSA-N110.0Ex 111.50(BP est) -68.24(MP est) 108.00(BP exp) -70.00(MP exp) ClCCOC=C -70ExptN
ClCOC1CC14846106.549C4H7ClO(chloromethoxy)cyclopropaneN136ClCOC1CC1InChI=1S/C4H7ClO/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=UFUHEYUYIXPLGT-UHFFFAOYSA-N117.3Ex 117.25(BP est) -56.72(MP est) ----(BP exp) ----(MP exp) ClCOC1CC1 -56.7PredN
ClCOC=CC4847106.549C4H7ClO1-(chloromethoxy)prop-1-eneN136ClCOC=CCInChI=1S/C4H7ClO/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=KJGLFNKSXCSQLE-UHFFFAOYSA-N120.5Ex 120.46(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) ClCOC=CC -67.3PredN
OC1(CC1)CCl4848106.549C4H7ClO1-(chloromethyl)cyclopropan-1-olN136OC1(CC1)CClInChI=1S/C4H7ClO/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=JWJIFDCXPHSJDR-UHFFFAOYSA-N148.8Ex 148.81(BP est) -16.25(MP est) ----(BP exp) ----(MP exp) OC1(CC1)CCl -16.3PredN
CCOC(Cl)=C4849106.549C4H7ClO1-chloro-1-ethoxyetheneN136CCOC(Cl)=CInChI=1S/C4H7ClO/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=HAZSOXTUZRFCEW-UHFFFAOYSA-N76.3Ex 76.30(BP est) -85.50(MP est) ----(BP exp) ----(MP exp) CCOC(Cl)=C -85.5PredN
COC1(CC1)Cl4850106.549C4H7ClO1-chloro-1-methoxycyclopropaneN136COC1(CC1)ClInChI=1S/C4H7ClO/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=PIPRAAWBIXMGOB-UHFFFAOYSA-N78.3Ex 78.26(BP est) -56.15(MP est) ----(BP exp) ----(MP exp) COC1(CC1)Cl -56.2PredN
COC(Cl)=CC4851106.549C4H7ClO1-chloro-1-methoxyprop-1-eneN136COC(Cl)=CCInChI=1S/C4H7ClO/c1-3-4(5)6-2/h3H,1-2H3InChIKey=SNOAEAMNGPRKFA-UHFFFAOYSA-N85.8Ex 85.77(BP est) -84.40(MP est) ----(BP exp) ----(MP exp) COC(Cl)=CC -84.4PredN
CCOC=CCl4852106.549C4H7ClO1-chloro-2-ethoxyetheneN136CCOC=CClInChI=1S/C4H7ClO/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=OFCHIOZFUUTWEM-UHFFFAOYSA-N103.0Ex 92.43(BP est) -75.47(MP est) ----(BP exp) ----(MP exp) CCOC=CCl -75.5PredN
COC1CC1Cl4853106.549C4H7ClO1-chloro-2-methoxycyclopropaneN136COC1CC1ClInChI=1S/C4H7ClO/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=NIMQSCUELZBSQN-UHFFFAOYSA-N97.4Ex 97.40(BP est) -64.63(MP est) ----(BP exp) ----(MP exp) COC1CC1Cl -64.6PredN
COC(C)=CCl4854106.549C4H7ClO1-chloro-2-methoxyprop-1-eneN136COC(C)=CClInChI=1S/C4H7ClO/c1-4(3-5)6-2/h3H,1-2H3InChIKey=AHLTYTZNLLPVFE-UHFFFAOYSA-N85.8Ex 85.77(BP est) -84.40(MP est) ----(BP exp) ----(MP exp) COC(C)=CCl -84.4PredN
COCC=CCl4855106.549C4H7ClO1-chloro-3-methoxyprop-1-eneN136COCC=CClInChI=1S/C4H7ClO/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=ZHMIXMWZAHYZTP-UHFFFAOYSA-N108.0Ex 92.43(BP est) -75.47(MP est) ----(BP exp) ----(MP exp) COCC=CCl -75.5PredN
OC(CC=C)Cl4856106.549C4H7ClO1-chlorobut-3-en-1-olN136OC(CC=C)ClInChI=1S/C4H7ClO/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=AMCJZZPDSVCIEM-UHFFFAOYSA-N139.9Ex 139.92(BP est) -48.15(MP est) ----(BP exp) ----(MP exp) OC(CC=C)Cl -48.2PredN
OC(C=C)CCl4857106.549C4H7ClO1-chlorobut-3-en-2-olN136OC(C=C)CClInChI=1S/C4H7ClO/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=PIPLRXXGXUVQRX-UHFFFAOYSA-N145.5Ex 152.05(BP est) -44.61(MP est) 145.50(BP exp) ----(MP exp) OC(C=C)CCl -44.6PredN
ClCC(CC)=O4858106.549C4H7ClO1-chlorobutan-2-oneN136ClCC(CC)=OInChI=1S/C4H7ClO/c1-2-4(6)3-5/h2-3H2,1H3InChIKey=AALRHBLMAVGWRR-UHFFFAOYSA-N137.7Ex 134.39(BP est) -46.83(MP est) 137.50(BP exp) ----(MP exp) ClCC(CC)=O -46.8PredN
OC1(CCC1)Cl4859106.549C4H7ClO1-chlorocyclobutan-1-olN136OC1(CCC1)ClInChI=1S/C4H7ClO/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=HMOJTHXMNBHQIF-UHFFFAOYSA-N126.3Ex 126.29(BP est) -24.59(MP est) ----(BP exp) ----(MP exp) OC1(CCC1)Cl -24.6PredN
ClC(C)C1CO14860106.549C4H7ClO2-(1-chloroethyl)oxiraneN136ClC(C)C1CO1InChI=1S/C4H7ClO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=MOBNLCPBAMKACS-UHFFFAOYSA-N95.4Ex 95.43(BP est) -68.42(MP est) ----(BP exp) ----(MP exp) ClC(C)C1CO1 -68.4PredN
ClCCC1CO14861106.549C4H7ClO2-(2-chloroethyl)oxiraneN136ClCCC1CO1InChI=1S/C4H7ClO/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=NKWKILGNDJEIOC-UHFFFAOYSA-N122.6Ex 122.63(BP est) -52.98(MP est) ----(BP exp) ----(MP exp) ClCCC1CO1 -53PredN
ClCOC(C)=C4862106.549C4H7ClO2-(chloromethoxy)prop-1-eneN136ClCOC(C)=CInChI=1S/C4H7ClO/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=YOZCXLVADHZJET-UHFFFAOYSA-N105.0Ex 105.03(BP est) -77.11(MP est) ----(BP exp) ----(MP exp) ClCOC(C)=C -77.1PredN
CC1(CCl)CO14863106.549C4H7ClO2-(chloromethyl)-2-methyloxiraneN136CC1(CCl)CO1InChI=1S/C4H7ClO/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=VVHFXJOCUKBZFS-UHFFFAOYSA-N122.5Ex 110.28(BP est) -44.63(MP est) 122.00(BP exp) ----(MP exp) CC1(CCl)CO1 -44.6PredN
CC1C(CCl)O14864106.549C4H7ClO2-(chloromethyl)-3-methyloxiraneN136CC1C(CCl)O1InChI=1S/C4H7ClO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=MMTOSBCMFDNOIY-UHFFFAOYSA-N115.9Ex 115.88(BP est) -57.07(MP est) ----(BP exp) ----(MP exp) CC1C(CCl)O1 -57.1PredN
ClCC1OCC14865106.549C4H7ClO2-(chloromethyl)oxetaneN136ClCC1OCC1InChI=1S/C4H7ClO/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=MTJUELTVQKBEPR-UHFFFAOYSA-N124.7Ex 124.74(BP est) -54.12(MP est) ----(BP exp) ----(MP exp) ClCC1OCC1 -54.1PredN
COC=C(C)Cl4866106.549C4H7ClO2-chloro-1-methoxyprop-1-eneN136COC=C(C)ClInChI=1S/C4H7ClO/c1-4(5)3-6-2/h3H,1-2H3InChIKey=FQAJTJNTUWZGAF-UHFFFAOYSA-N85.8Ex 85.77(BP est) -84.40(MP est) ----(BP exp) ----(MP exp) COC=C(C)Cl -84.4PredN
OC1(CC1Cl)C4867106.549C4H7ClO2-chloro-1-methylcyclopropan-1-olN136OC1(CC1Cl)CInChI=1S/C4H7ClO/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=MDWBKZCQPLZRSO-UHFFFAOYSA-N130.0Ex 130.02(BP est) -23.86(MP est) ----(BP exp) ----(MP exp) OC1(CC1Cl)C -23.9PredN
CC1C(Cl)(C)O14868106.549C4H7ClO2-chloro-2,3-dimethyloxiraneN136CC1C(Cl)(C)O1InChI=1S/C4H7ClO/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=KJASSBMXJPLAGV-UHFFFAOYSA-N76.8Ex 76.80(BP est) -56.52(MP est) ----(BP exp) ----(MP exp) CC1C(Cl)(C)O1 -56.5PredN
ClC1(CC)CO14869106.549C4H7ClO2-chloro-2-ethyloxiraneN136ClC1(CC)CO1InChI=1S/C4H7ClO/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=CORCXTJAJAVUSM-UHFFFAOYSA-N84.0Ex 83.98(BP est) -52.31(MP est) ----(BP exp) ----(MP exp) ClC1(CC)CO1 -52.3PredN
ClC1(C)OCC14870106.549C4H7ClO2-chloro-2-methyloxetaneN136ClC1(C)OCC1InChI=1S/C4H7ClO/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=IHCVYMNJUATTBU-UHFFFAOYSA-N86.2Ex 86.23(BP est) -53.41(MP est) ----(BP exp) ----(MP exp) ClC1(C)OCC1 -53.4PredN
O=CC(C)(C)Cl4871106.549C4H7ClO2-chloro-2-methylpropanalN136O=CC(C)(C)ClInChI=1S/C4H7ClO/c1-4(2,5)3-6/h3H,1-2H3InChIKey=UJZCIPIWDBMTLY-UHFFFAOYSA-N90.0Ex 99.15(BP est) -59.87(MP est) 90.00(BP exp) ----(MP exp) O=CC(C)(C)Cl -59.9PredN
ClC1C(CC)O14872106.549C4H7ClO2-chloro-3-ethyloxiraneN136ClC1C(CC)O1InChI=1S/C4H7ClO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=ITMIRWIISVVMAK-UHFFFAOYSA-N103.0Ex 102.96(BP est) -60.84(MP est) ----(BP exp) ----(MP exp) ClC1C(CC)O1 -60.8PredN
COCC(Cl)=C4873106.549C4H7ClO2-chloro-3-methoxyprop-1-eneN136COCC(Cl)=CInChI=1S/C4H7ClO/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=JQBNHOGKJOYYJD-UHFFFAOYSA-N76.3Ex 76.30(BP est) -85.50(MP est) ----(BP exp) ----(MP exp) COCC(Cl)=C -85.5PredN
ClC1OCC1C4874106.549C4H7ClO2-chloro-3-methyloxetaneN136ClC1OCC1CInChI=1S/C4H7ClO/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=QEUGUYOLXZEBOU-UHFFFAOYSA-N105.1Ex 105.14(BP est) -61.96(MP est) ----(BP exp) ----(MP exp) ClC1OCC1C -62PredN
ClC1CC(C)O14875106.549C4H7ClO2-chloro-4-methyloxetaneN136ClC1CC(C)O1InChI=1S/C4H7ClO/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=RAXNPBNRZQQJOE-UHFFFAOYSA-N105.1Ex 105.14(BP est) -61.96(MP est) ----(BP exp) ----(MP exp) ClC1CC(C)O1 -62PredN
OCC(C=C)Cl4876106.549C4H7ClO2-chlorobut-3-en-1-olN136OCC(C=C)ClInChI=1S/C4H7ClO/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=FNBIWDGYHRVZFA-UHFFFAOYSA-N147.1Ex 147.14(BP est) -46.04(MP est) ----(BP exp) ----(MP exp) OCC(C=C)Cl -46PredN
OC(C)(C=C)Cl4877106.549C4H7ClO2-chlorobut-3-en-2-olN136OC(C)(C=C)ClInChI=1S/C4H7ClO/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=PBPCFEVZIXMEOX-UHFFFAOYSA-N107.4Ex 107.39(BP est) -48.94(MP est) ----(BP exp) ----(MP exp) OC(C)(C=C)Cl -48.9PredN
O=CC(CC)Cl4878106.549C4H7ClO2-chlorobutanalN136O=CC(CC)ClInChI=1S/C4H7ClO/c1-2-4(5)3-6/h3-4H,2H2,1H3InChIKey=PZGXJYSPQYRCBB-UHFFFAOYSA-N108.8Ex 121.38(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) O=CC(CC)Cl -62.1PredN
OC1CCC1Cl4879106.549C4H7ClO2-chlorocyclobutan-1-olN136OC1CCC1ClInChI=1S/C4H7ClO/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=ZDMMVPAFDSRDAS-UHFFFAOYSA-N154.3Ex 154.33(BP est) -30.48(MP est) ----(BP exp) ----(MP exp) OC1CCC1Cl -30.5PredN
ClC1OCCC14880106.549C4H7ClO2-chlorotetrahydrofuranN136ClC1OCCC1InChI=1S/C4H7ClO/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=ZVAKZVDJIUFFFP-UHFFFAOYSA-N114.2Ex 114.17(BP est) -58.96(MP est) ----(BP exp) ----(MP exp) ClC1OCCC1 -59PredN
ClCOCC=C4881106.549C4H7ClO3-(chloromethoxy)prop-1-eneN136ClCOCC=CInChI=1S/C4H7ClO/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=AZAVREKVLRUVRF-UHFFFAOYSA-N104.0Ex 111.50(BP est) -68.24(MP est) ----(BP exp) ----(MP exp) ClCOCC=C -68.2PredN
ClCC1COC14882106.549C4H7ClO3-(chloromethyl)oxetaneN136ClCC1COC1InChI=1S/C4H7ClO/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=LIPUPFCIDWQWAP-UHFFFAOYSA-N124.7Ex 124.74(BP est) -54.12(MP est) ----(BP exp) ----(MP exp) ClCC1COC1 -54.1PredN
COC=CCCl4883106.549C4H7ClO3-chloro-1-methoxyprop-1-eneN136COC=CCClInChI=1S/C4H7ClO/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=JDKKBMPFXNGAEQ-UHFFFAOYSA-N120.5Ex 120.46(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) COC=CCCl -67.3PredN
ClC1C(C)(C)O14884106.549C4H7ClO3-chloro-2,2-dimethyloxiraneN136ClC1C(C)(C)O1InChI=1S/C4H7ClO/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=VESMKBNAXXQTQE-UHFFFAOYSA-N90.2Ex 90.21(BP est) -52.61(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(C)O1 -52.6PredN
COC(CCl)=C4885106.549C4H7ClO3-chloro-2-methoxyprop-1-eneN136COC(CCl)=CInChI=1S/C4H7ClO/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=YHGBBOXHHMFPBY-UHFFFAOYSA-N105.0Ex 105.03(BP est) -77.11(MP est) ----(BP exp) ----(MP exp) COC(CCl)=C -77.1PredN
CC1OCC1Cl4886106.549C4H7ClO3-chloro-2-methyloxetaneN136CC1OCC1ClInChI=1S/C4H7ClO/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=UBRHBIKHOKZILW-UHFFFAOYSA-N105.1Ex 105.14(BP est) -61.96(MP est) ----(BP exp) ----(MP exp) CC1OCC1Cl -62PredN
O=CC(CCl)C4887106.549C4H7ClO3-chloro-2-methylpropanalN136O=CC(CCl)CInChI=1S/C4H7ClO/c1-4(2-5)3-6/h3-4H,2H2,1H3InChIKey=MIGQGYPWOONPRH-UHFFFAOYSA-N133.9Ex 133.91(BP est) -58.43(MP est) ----(BP exp) ----(MP exp) O=CC(CCl)C -58.4PredN
COC(C=C)Cl4888106.549C4H7ClO3-chloro-3-methoxyprop-1-eneN136COC(C=C)ClInChI=1S/C4H7ClO/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=XEEWLRBZPXLEMI-UHFFFAOYSA-N83.8Ex 83.81(BP est) -83.83(MP est) ----(BP exp) ----(MP exp) COC(C=C)Cl -83.8PredN
ClC1(C)COC14889106.549C4H7ClO3-chloro-3-methyloxetaneN136ClC1(C)COC1InChI=1S/C4H7ClO/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=FICDXBDKHJNWNS-UHFFFAOYSA-N86.2Ex 86.23(BP est) -53.41(MP est) ----(BP exp) ----(MP exp) ClC1(C)COC1 -53.4PredN
OCCC(Cl)=C4890106.549C4H7ClO3-chlorobut-3-en-1-olN136OCCC(Cl)=CInChI=1S/C4H7ClO/c1-4(5)2-3-6/h6H,1-3H2InChIKey=KXJLZGFRZZIHKT-UHFFFAOYSA-N140.4Ex 140.38(BP est) -47.50(MP est) ----(BP exp) ----(MP exp) OCCC(Cl)=C -47.5PredN
OC(C(Cl)=C)C4891106.549C4H7ClO3-chlorobut-3-en-2-olN136OC(C(Cl)=C)CInChI=1S/C4H7ClO/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=KEIYIDKDAHPTNR-UHFFFAOYSA-N119.2Ex 119.19(BP est) -61.18(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)=C)C -61.2PredN
CC(C(C)Cl)=O4892106.549C4H7ClO3-chlorobutan-2-oneN136CC(C(C)Cl)=OInChI=1S/C4H7ClO/c1-3(5)4(2)6/h3H,1-2H3InChIKey=OIMRLHCSLQUXLL-UHFFFAOYSA-N115.9Ex 107.73(BP est) -62.12(MP est) 115.00(BP exp) ----(MP exp) CC(C(C)Cl)=O -62.1PredN
O=CCC(C)Cl4893106.549C4H7ClO3-chlorobutanalN136O=CCC(C)ClInChI=1S/C4H7ClO/c1-4(5)2-3-6/h3-4H,2H2,1H3InChIKey=FNFGGXQSVOJINC-UHFFFAOYSA-N121.4Ex 121.38(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) O=CCC(C)Cl -62.1PredN
OC1CC(Cl)C14894106.549C4H7ClO3-chlorocyclobutan-1-olN136OC1CC(Cl)C1InChI=1S/C4H7ClO/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=VCKZBLJCERMHRB-UHFFFAOYSA-N154.3Ex 154.33(BP est) -30.48(MP est) ----(BP exp) ----(MP exp) OC1CC(Cl)C1 -30.5PredN
ClC1CCOC14895106.549C4H7ClO3-chlorotetrahydrofuranN136ClC1CCOC1InChI=1S/C4H7ClO/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=FPHNWFFKQCPXPI-UHFFFAOYSA-N129.2Ex 114.17(BP est) -58.96(MP est) ----(BP exp) ----(MP exp) ClC1CCOC1 -59PredN
OCCC=CCl4896106.549C4H7ClO4-chlorobut-3-en-1-olN136OCCC=CClInChI=1S/C4H7ClO/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=DWPQDVYEICFURK-UHFFFAOYSA-N154.9Ex 154.91(BP est) -37.94(MP est) ----(BP exp) ----(MP exp) OCCC=CCl -37.9PredN
OC(C=CCl)C4897106.549C4H7ClO4-chlorobut-3-en-2-olN136OC(C=CCl)CInChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=ZMKMWARYSWXSLH-UHFFFAOYSA-N134.3Ex 134.27(BP est) -51.46(MP est) ----(BP exp) ----(MP exp) OC(C=CCl)C -51.5PredN
CC(CCCl)=O4898106.549C4H7ClO4-chlorobutan-2-oneN136CC(CCCl)=OInChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3InChIKey=MAGOYBJJLVSJIC-UHFFFAOYSA-N134.4Ex 134.39(BP est) -46.83(MP est) ----(BP exp) ----(MP exp) CC(CCCl)=O -46.8PredN
O=CCCCCl4899106.549C4H7ClO4-chlorobutanalN136O=CCCCClInChI=1S/C4H7ClO/c5-3-1-2-4-6/h4H,1-3H2InChIKey=DOQLCJMCQWQQHK-UHFFFAOYSA-N147.4Ex 147.44(BP est) -46.99(MP est) ----(BP exp) ----(MP exp) O=CCCCCl -47PredN
OC(C1CC1)Cl4900106.549C4H7ClOchloro(cyclopropyl)methanolN136OC(C1CC1)ClInChI=1S/C4H7ClO/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=JLPJFODEFACQPR-UHFFFAOYSA-N145.4Ex 145.40(BP est) -36.70(MP est) ----(BP exp) ----(MP exp) OC(C1CC1)Cl -36.7PredN
NNC(C=C)Cl4901106.553C3H7ClN2(1-chloroallyl)hydrazineN136NNC(C=C)ClInChI=1S/C3H7ClN2/c1-2-3(4)6-5/h2-3,6H,1,5H2InChIKey=BBWKPCLNJQHESF-UHFFFAOYSA-N142.2Ex 142.15(BP est) -15.58(MP est) ----(BP exp) ----(MP exp) NNC(C=C)Cl -15.6PredN
NNC1(CC1)Cl4902106.553C3H7ClN2(1-chlorocyclopropyl)hydrazineN136NNC1(CC1)ClInChI=1S/C3H7ClN2/c4-3(6-5)1-2-3/h6H,1-2,5H2InChIKey=SPKBDNCYAIXUCZ-UHFFFAOYSA-N137.1Ex 137.11(BP est) 12.24(MP est) ----(BP exp) ----(MP exp) NNC1(CC1)Cl 12.2PredN
NNCC(Cl)=C4903106.553C3H7ClN2(2-chloroallyl)hydrazineN136NNCC(Cl)=CInChI=1S/C3H7ClN2/c1-3(4)2-6-5/h6H,1-2,5H2InChIKey=NRRHLLUAZIAKJG-UHFFFAOYSA-N135.3Ex 135.33(BP est) -17.06(MP est) ----(BP exp) ----(MP exp) NNCC(Cl)=C -17.1PredN
NNC1CC1Cl4904106.553C3H7ClN2(2-chlorocyclopropyl)hydrazineN136NNC1CC1ClInChI=1S/C3H7ClN2/c4-2-1-3(2)6-5/h2-3,6H,1,5H2InChIKey=MQXSRZQUJDNMSO-UHFFFAOYSA-N154.5Ex 154.50(BP est) 3.25(MP est) ----(BP exp) ----(MP exp) NNC1CC1Cl 3.3PredN
NNCC=CCl4905106.553C3H7ClN2(3-chloroallyl)hydrazineN136NNCC=CClInChI=1S/C3H7ClN2/c4-2-1-3-6-5/h1-2,6H,3,5H2InChIKey=HXJCTNREWWFDDS-UHFFFAOYSA-N150.0Ex 149.99(BP est) -7.46(MP est) ----(BP exp) ----(MP exp) NNCC=CCl -7.5PredN
SC(C#C)Cl4906106.567C3H3ClS1-chloroprop-2-yne-1-thiolN85SC(C#C)ClInChI=1S/C3H3ClS/c1-2-3(4)5/h1,3,5HInChIKey=HMCXBZNFNNUPIJ-UHFFFAOYSA-N127.9Ex 127.89(BP est) -45.11(MP est) ----(BP exp) ----(MP exp) SC(C#C)Cl -45.1PredN
ClCC1=CS14907106.567C3H3ClS2-(chloromethyl)thiireneN85ClCC1=CS1InChI=1S/C3H3ClS/c4-1-3-2-5-3/h2H,1H2InChIKey=IPJLQUUERILTEW-UHFFFAOYSA-N141.4Ex 141.37(BP est) -18.94(MP est) ----(BP exp) ----(MP exp) ClCC1=CS1 -18.9PredN
ClC(S1)=C1C4908106.567C3H3ClS2-chloro-3-methylthiireneN85ClC(S1)=C1CInChI=1S/C3H3ClS/c1-2-3(4)5-2/h1H3InChIKey=BMCRPPBOJSUXOA-UHFFFAOYSA-N112.3Ex 112.30(BP est) -21.17(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1C -21.2PredN
SC(C#CCl)4909106.567C3H3ClS3-chloroprop-2-yne-1-thiolN85SC(C#CCl)InChI=1S/C3H3ClS/c4-2-1-3-5/h5H,3H2InChIKey=HRPZVGIYTGISJL-UHFFFAOYSA-N135.7Ex 135.71(BP est) -5.76(MP est) ----(BP exp) ----(MP exp) SC(C#CCl) -5.8PredN
CC(C)(CCl)C4910106.593C5H11Cl1-chloro-2,2-dimethylpropaneN176CC(C)(CCl)CInChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3InChIKey=JEKYMVBQWWZVHO-UHFFFAOYSA-N83.8Ex 88.36(BP est) -78.39(MP est) 84.30(BP exp) -20.00(MP exp) CC(C)(CCl)C -20ExptN
CC(CC)CCl4911106.593C5H11Cl1-chloro-2-methylbutaneN176CC(CC)CClInChI=1S/C5H11Cl/c1-3-5(2)4-6/h5H,3-4H2,1-2H3InChIKey=IWAKWOFEHSYKSI-UHFFFAOYSA-N99.1Ex 97.98(BP est) -84.29(MP est) ----(BP exp) ----(MP exp) CC(CC)CCl -84.3PredN
CC(CCCl)C4912106.593C5H11Cl1-chloro-3-methylbutaneN176CC(CCCl)CInChI=1S/C5H11Cl/c1-5(2)3-4-6/h5H,3-4H2,1-2H3InChIKey=CZHLPWNZCJEPJB-UHFFFAOYSA-N105.9Ex 97.98(BP est) -84.29(MP est) 98.90(BP exp) -104.40(MP exp) CC(CCCl)C -104.4ExptN
CCCCCCl4913106.593C5H11Cl1-chloropentaneN176CCCCCClInChI=1S/C5H11Cl/c1-2-3-4-5-6/h2-5H2,1H3InChIKey=SQCZQTSHSZLZIQ-UHFFFAOYSA-N107.4Ex 112.34(BP est) -72.60(MP est) 107.80(BP exp) -99.00(MP exp) CCCCCCl -99ExptN
ClC(C)(CC)C4914106.593C5H11Cl2-chloro-2-methylbutaneN176ClC(C)(CC)CInChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=CRNIHJHMEQZAAS-UHFFFAOYSA-N85.4Ex 61.16(BP est) -86.33(MP est) 85.50(BP exp) -73.50(MP exp) ClC(C)(CC)C -73.5ExptN
CC(C(C)Cl)C4915106.593C5H11Cl2-chloro-3-methylbutaneN176CC(C(C)Cl)CInChI=1S/C5H11Cl/c1-4(2)5(3)6/h4-5H,1-3H3InChIKey=JMTRCXPSDMMAGM-UHFFFAOYSA-N92.8Ex 69.70(BP est) -100.05(MP est) ----(BP exp) ----(MP exp) CC(C(C)Cl)C -100.1PredN
CCCC(C)Cl4916106.593C5H11Cl2-chloropentaneN176CCCC(C)ClInChI=1S/C5H11Cl/c1-3-4-5(2)6/h5H,3-4H2,1-2H3InChIKey=NFRKUDYZEVQXTE-UHFFFAOYSA-N96.5Ex 84.69(BP est) -88.17(MP est) 99.00(BP exp) -80.00(MP exp) CCCC(C)Cl -80ExptN
CCC(CC)Cl4917106.593C5H11Cl3-chloropentaneN176CCC(CC)ClInChI=1S/C5H11Cl/c1-3-5(6)4-2/h5H,3-4H2,1-2H3InChIKey=CXQSCYIVCSCSES-UHFFFAOYSA-N97.8Ex 84.69(BP est) -88.17(MP est) 97.50(BP exp) -105.00(MP exp) CCC(CC)Cl -105ExptN
C=CBr4920106.95C2H3BrbromoetheneN63C=CBrInChI=1S/C2H3Br/c1-2-3/h2H,1H2InChIKey=INLLPKCGLOXCIV-UHFFFAOYSA-N15.4Ex 50.34(BP est) -93.54(MP est) 15.80(BP exp) -137.80(MP exp) C=CBr -137.8ExptN
O=S(=O)=C1NO14923107.083CHNO3S3-sulfonyl-1,2-oxaziridineN76O=S(=O)=C1NO1InChI=1S/CHNO3S/c3-6(4)1-2-5-1/h2HInChIKey=BTLSKPZHRKKBDD-UHFFFAOYSA-N215.4Ex 215.40(BP est) 49.31(MP est) ----(BP exp) ----(MP exp) O=S(=O)=C1NO1 49.3PredN
O=P(C)(C)CN4924107.093C3H10NOP(aminomethyl)dimethylphosphine oxideN166O=P(C)(C)CNInChI=1S/C3H10NOP/c1-6(2,5)3-4/h3-4H2,1-2H3InChIKey=ICIFXJCUANDOQN-UHFFFAOYSA-N164.3Ex 164.31(BP est) -25.21(MP est) ----(BP exp) ----(MP exp) O=P(C)(C)CN -25.2PredN
O=S1(NCC1)=O4925107.127C2H5NO2S1,2-thiazetidine 1,1-dioxideN116O=S1(NCC1)=OInChI=1S/C2H5NO2S/c4-6(5)2-1-3-6/h3H,1-2H2InChIKey=GNPXXOFTVXIOLF-UHFFFAOYSA-N208.8Ex 208.78(BP est) 35.27(MP est) ----(BP exp) ----(MP exp) O=S1(NCC1)=O 35.3PredN
OC(=O)C(N)S4927107.127C2H5NO2S2-amino-2-mercaptoacetic acidN116OC(=O)C(N)SInChI=1S/C2H5NO2S/c3-1(6)2(4)5/h1,6H,3H2,(H,4,5)InChIKey=JZKPGTSXNSEOJH-UHFFFAOYSA-N336.8Ex 336.76(BP est) 189.09(MP est) ----(BP exp) ----(MP exp) OC(=O)C(N)S 189.1PredN
SCC[N+]([O-])=O4928107.127C2H5NO2S2-nitroethane-1-thiolN116SCC[N+]([O-])=OInChI=1S/C2H5NO2S/c4-3(5)1-2-6/h6H,1-2H2InChIKey=JOGXYJKCOWWABM-UHFFFAOYSA-N170.3Ex 170.26(BP est) 2.48(MP est) ----(BP exp) ----(MP exp) SCC[N+]([O-])=O 2.5PredN
O=S(N)(C=C)=O4929107.127C2H5NO2SethenesulfonamideN116O=S(N)(C=C)=OInChI=1S/C2H5NO2S/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)InChIKey=JOXWSDNHLSQKCC-UHFFFAOYSA-N199.0Ex 199.00(BP est) 25.23(MP est) ----(BP exp) ----(MP exp) O=S(N)(C=C)=O 25.2PredN
O=NSCCO4930107.127C2H5NO2SS-(2-hydroxyethyl) nitrothioiteN116O=NSCCOInChI=1S/C2H5NO2S/c4-1-2-6-3-5/h4H,1-2H2InChIKey=AVGNNQMFRRYDBY-UHFFFAOYSA-N164.2Ex 164.17(BP est) 13.96(MP est) ----(BP exp) ----(MP exp) O=NSCCO 14PredN
O=S(C)CCN4931107.171C3H9NOS2-(methylsulfinyl)ethan-1-amineN156O=S(C)CCNInChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3InChIKey=PGAOVVJJOXMLCQ-UHFFFAOYSA-N206.3Ex 206.31(BP est) 20.24(MP est) ----(BP exp) ----(MP exp) O=S(C)CCN 20.2PredN
ONCCCS4932107.171C3H9NOS3-(hydroxyamino)propane-1-thiolN156ONCCCSInChI=1S/C3H9NOS/c5-4-2-1-3-6/h4-6H,1-3H2InChIKey=RAHZLXSVGQJPDX-UHFFFAOYSA-N221.4Ex 221.44(BP est) 7.99(MP est) ----(BP exp) ----(MP exp) ONCCCS 8PredN
CN(C)S(C)=O4933107.171C3H9NOSN,N-dimethylmethanesulfinamideN156CN(C)S(C)=OInChI=1S/C3H9NOS/c1-4(2)6(3)5/h1-3H3InChIKey=AQNQZLOSBFEYBX-UHFFFAOYSA-N172.1Ex 172.07(BP est) -15.15(MP est) ----(BP exp) ----(MP exp) CN(C)S(C)=O -15.2PredN
N1CCSS14934107.189C2H5NS21,2,3-dithiazolidineN105N1CCSS1InChI=1S/C2H5NS2/c1-2-4-5-3-1/h3H,1-2H2InChIKey=GMCZUVIOJIKTIC-UHFFFAOYSA-N180.9Ex 180.86(BP est) 22.51(MP est) ----(BP exp) ----(MP exp) N1CCSS1 22.5PredN
S1SCNC14935107.189C2H5NS21,2,4-dithiazolidineN105S1SCNC1InChI=1S/C2H5NS2/c1-3-2-5-4-1/h3H,1-2H2InChIKey=WGKLFJKQSWDWHK-UHFFFAOYSA-N180.9Ex 180.86(BP est) 22.51(MP est) ----(BP exp) ----(MP exp) S1SCNC1 22.5PredN
CSC(=S)N4936107.189C2H5NS2methyl carbamodithioateN105CSC(=S)NInChI=1S/C2H5NS2/c1-5-2(3)4/h1H3,(H2,3,4)InChIKey=PLMHQXSIADFDIE-UHFFFAOYSA-N183.6Ex 183.60(BP est) 14.54(MP est) ----(BP exp) ----(MP exp) CSC(=S)N 14.5PredN
NC(Cl)(F)(C#C)4937107.512C3H3ClFN1-chloro-1-fluoroprop-2-yn-1-amineN96NC(Cl)(F)(C#C)InChI=1S/C3H3ClFN/c1-2-3(4,5)6/h1H,6H2InChIKey=NIBZXVXYGAXEJO-UHFFFAOYSA-N88.6Ex 88.61(BP est) -24.18(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(C#C) -24.2PredN
NC(Cl)(C#CF)4938107.512C3H3ClFN1-chloro-3-fluoroprop-2-yn-1-amineN96NC(Cl)(C#CF)InChI=1S/C3H3ClFN/c4-3(6)1-2-5/h3H,6H2InChIKey=FJYWEEPRTURMRO-UHFFFAOYSA-N120.0Ex 119.95(BP est) 5.83(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C#CF) 5.8PredN
ClC(F)C1=CN14939107.512C3H3ClFN2-(chlorofluoromethyl)-1H-azirineN96ClC(F)C1=CN1InChI=1S/C3H3ClFN/c4-3(5)2-1-6-2/h1,3,6HInChIKey=WTGVMWCJZGZRRV-UHFFFAOYSA-N113.9Ex 113.93(BP est) -20.36(MP est) ----(BP exp) ----(MP exp) ClC(F)C1=CN1 -20.4PredN
FC(N1)=C1CCl4940107.512C3H3ClFN2-(chloromethyl)-3-fluoro-1H-azirineN96FC(N1)=C1CClInChI=1S/C3H3ClFN/c4-1-2-3(5)6-2/h6H,1H2InChIKey=DOSLGYROLXNKOA-UHFFFAOYSA-N138.4Ex 138.39(BP est) 0.54(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1CCl 0.5PredN
ClC(N1)=C1CF4941107.512C3H3ClFN2-chloro-3-(fluoromethyl)-1H-azirineN96ClC(N1)=C1CFInChI=1S/C3H3ClFN/c4-3-2(1-5)6-3/h6H,1H2InChIKey=QBWSYRSINOYDSQ-UHFFFAOYSA-N111.2Ex 111.20(BP est) -7.40(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1CF -7.4PredN
NC(F)(C#CCl)4942107.512C3H3ClFN3-chloro-1-fluoroprop-2-yn-1-amineN96NC(F)(C#CCl)InChI=1S/C3H3ClFN/c4-2-1-3(5)6/h3H,6H2InChIKey=XTAHUERQXLMRJC-UHFFFAOYSA-N105.1Ex 105.05(BP est) 1.48(MP est) ----(BP exp) ----(MP exp) NC(F)(C#CCl) 1.5PredN
ClCON1CC14954107.537C3H6ClNO1-(chloromethoxy)aziridineN126ClCON1CC1InChI=1S/C3H6ClNO/c4-3-6-5-1-2-5/h1-3H2InChIKey=GRANCMTWENTWHY-UHFFFAOYSA-N127.9Ex 127.87(BP est) -21.05(MP est) ----(BP exp) ----(MP exp) ClCON1CC1 -21.1PredN
ClCN1CCO14955107.537C3H6ClNO2-(chloromethyl)-1,2-oxazetidineN126ClCN1CCO1InChI=1S/C3H6ClNO/c4-3-5-1-2-6-5/h1-3H2InChIKey=MISTXPFPEDDXHA-UHFFFAOYSA-N135.2Ex 135.23(BP est) -18.49(MP est) ----(BP exp) ----(MP exp) ClCN1CCO1 -18.5PredN
ClC1N(OC)C14956107.537C3H6ClNO2-chloro-1-methoxyaziridineN126ClC1N(OC)C1InChI=1S/C3H6ClNO/c1-6-5-2-3(5)4/h3H,2H2,1H3InChIKey=YNMCDBSFRUIDON-UHFFFAOYSA-N108.4Ex 108.37(BP est) -28.87(MP est) ----(BP exp) ----(MP exp) ClC1N(OC)C1 -28.9PredN
ClC1N(O)CC14957107.537C3H6ClNO2-chloroazetidin-1-olN126ClC1N(O)CC1InChI=1S/C3H6ClNO/c4-3-1-2-5(3)6/h3,6H,1-2H2InChIKey=BHHCUOZICUZVEZ-UHFFFAOYSA-N243.6Ex 243.56(BP est) 33.14(MP est) ----(BP exp) ----(MP exp) ClC1N(O)CC1 33.1PredN
ClCC(NC)=O4958107.537C3H6ClNO2-chloro-N-methylacetamideN126ClCC(NC)=OInChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)InChIKey=HOZLOOPIXHWKCI-UHFFFAOYSA-N242.7Ex 242.70(BP est) 50.05(MP est) ----(BP exp) ----(MP exp) ClCC(NC)=O 50.1PredN
ClC(C(N)=O)C4959107.537C3H6ClNO2-chloropropanamideN126ClC(C(N)=O)CInChI=1S/C3H6ClNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)InChIKey=OEZPDHRXGCLGKB-UHFFFAOYSA-N227.4Ex 227.42(BP est) 39.45(MP est) ----(BP exp) ----(MP exp) ClC(C(N)=O)C 39.5PredN
CN1C(Cl)CO14960107.537C3H6ClNO3-chloro-2-methyl-1,2-oxazetidineN126CN1C(Cl)CO1InChI=1S/C3H6ClNO/c1-5-3(4)2-6-5/h3H,2H2,1H3InChIKey=LMUIZROBURXSGO-UHFFFAOYSA-N116.0Ex 115.98(BP est) -26.24(MP est) ----(BP exp) ----(MP exp) CN1C(Cl)CO1 -26.2PredN
ClC1CN(O)C14961107.537C3H6ClNO3-chloroazetidin-1-olN126ClC1CN(O)C1InChI=1S/C3H6ClNO/c4-3-1-5(6)2-3/h3,6H,1-2H2InChIKey=FFWPILKKTNHJSF-UHFFFAOYSA-N243.6Ex 243.56(BP est) 33.14(MP est) ----(BP exp) ----(MP exp) ClC1CN(O)C1 33.1PredN
ClC1NOCC14962107.537C3H6ClNO3-chloroisoxazolidineN126ClC1NOCC1InChI=1S/C3H6ClNO/c4-3-1-2-6-5-3/h3,5H,1-2H2InChIKey=KSFGQZXLGRHJDV-UHFFFAOYSA-N150.9Ex 150.87(BP est) -1.37(MP est) ----(BP exp) ----(MP exp) ClC1NOCC1 -1.4PredN
ClCCC(N)=O4963107.537C3H6ClNO3-chloropropanamideN126ClCCC(N)=OInChI=1S/C3H6ClNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)InChIKey=JQDXZJYAUSVHDH-UHFFFAOYSA-N248.2Ex 248.22(BP est) 52.31(MP est) ----(BP exp) ----(MP exp) ClCCC(N)=O 52.3PredN
CN1CC(Cl)O14964107.537C3H6ClNO4-chloro-2-methyl-1,2-oxazetidineN126CN1CC(Cl)O1InChI=1S/C3H6ClNO/c1-5-2-3(4)6-5/h3H,2H2,1H3InChIKey=FGMIMILTJJPYPU-UHFFFAOYSA-N116.0Ex 115.98(BP est) -26.24(MP est) ----(BP exp) ----(MP exp) CN1CC(Cl)O1 -26.2PredN
ClC1CNOC14965107.537C3H6ClNO4-chloroisoxazolidineN126ClC1CNOC1InChI=1S/C3H6ClNO/c4-3-1-5-6-2-3/h3,5H,1-2H2InChIKey=CACTZFXWDCBVTP-UHFFFAOYSA-N150.9Ex 150.87(BP est) -1.37(MP est) ----(BP exp) ----(MP exp) ClC1CNOC1 -1.4PredN
ClC1ONCC14966107.537C3H6ClNO5-chloroisoxazolidineN126ClC1ONCC1InChI=1S/C3H6ClNO/c4-3-1-2-5-6-3/h3,5H,1-2H2InChIKey=YDCBHVGRAWHVAL-UHFFFAOYSA-N150.9Ex 150.87(BP est) -1.37(MP est) ----(BP exp) ----(MP exp) ClC1ONCC1 -1.4PredN
ClC(C=C)NO4967107.537C3H6ClNON-(1-chloroallyl)hydroxylamineN126ClC(C=C)NOInChI=1S/C3H6ClNO/c1-2-3(4)5-6/h2-3,5-6H,1H2InChIKey=IYXVCHOZBDTCQE-UHFFFAOYSA-N181.6Ex 181.57(BP est) -15.30(MP est) ----(BP exp) ----(MP exp) ClC(C=C)NO -15.3PredN
CN(O)C(Cl)=C4968107.537C3H6ClNON-(1-chlorovinyl)-N-methylhydroxylamineN126CN(O)C(Cl)=CInChI=1S/C3H6ClNO/c1-3(4)5(2)6/h6H,1H2,2H3InChIKey=FKKXNDDKUVEJJJ-UHFFFAOYSA-N222.5Ex 222.45(BP est) 10.14(MP est) ----(BP exp) ----(MP exp) CN(O)C(Cl)=C 10.1PredN
ClC(NOC)=C4969107.537C3H6ClNON-(1-chlorovinyl)-O-methylhydroxylamineN126ClC(NOC)=CInChI=1S/C3H6ClNO/c1-3(4)5-6-2/h5H,1H2,2H3InChIKey=AKALSEOQQFLXNC-UHFFFAOYSA-N97.6Ex 97.61(BP est) -58.58(MP est) ----(BP exp) ----(MP exp) ClC(NOC)=C -58.6PredN
ClC(CNO)=C4970107.537C3H6ClNON-(2-chloroallyl)hydroxylamineN126ClC(CNO)=CInChI=1S/C3H6ClNO/c1-3(4)2-5-6/h5-6H,1-2H2InChIKey=ZHUPIYGPMMAAEH-UHFFFAOYSA-N175.3Ex 175.25(BP est) -16.62(MP est) ----(BP exp) ----(MP exp) ClC(CNO)=C -16.6PredN
ClC=CN(O)C4971107.537C3H6ClNON-(2-chlorovinyl)-N-methylhydroxylamineN126ClC=CN(O)CInChI=1S/C3H6ClNO/c1-5(6)3-2-4/h2-3,6H,1H3InChIKey=AHLAQPBVSUMSAM-UHFFFAOYSA-N234.6Ex 234.63(BP est) 19.02(MP est) ----(BP exp) ----(MP exp) ClC=CN(O)C 19PredN
ClC=CNOC4972107.537C3H6ClNON-(2-chlorovinyl)-O-methylhydroxylamineN126ClC=CNOCInChI=1S/C3H6ClNO/c1-6-5-3-2-4/h2-3,5H,1H3InChIKey=XXHMTSLYMATDGP-UHFFFAOYSA-N113.2Ex 113.23(BP est) -48.70(MP est) ----(BP exp) ----(MP exp) ClC=CNOC -48.7PredN
CC(NCCl)=O4973107.537C3H6ClNON-(chloromethyl)acetamideN126CC(NCCl)=OInChI=1S/C3H6ClNO/c1-3(6)5-2-4/h2H2,1H3,(H,5,6)InChIKey=OOUSUFKQKJONBC-UHFFFAOYSA-N242.7Ex 242.70(BP est) 50.05(MP est) ----(BP exp) ----(MP exp) CC(NCCl)=O 50.1PredN
ClCN(O)C=C4974107.537C3H6ClNON-(chloromethyl)-N-vinylhydroxylamineN126ClCN(O)C=CInChI=1S/C3H6ClNO/c1-2-5(6)3-4/h2,6H,1,3H2InChIKey=SEBOFGNWKLLHBG-UHFFFAOYSA-N248.9Ex 248.89(BP est) 24.84(MP est) ----(BP exp) ----(MP exp) ClCN(O)C=C 24.8PredN
ClCNOC=C4975107.537C3H6ClNON-(chloromethyl)-O-vinylhydroxylamineN126ClCNOC=CInChI=1S/C3H6ClNO/c1-2-6-5-3-4/h2,5H,1,3H2InChIKey=KYLPQOXRGXSZSQ-UHFFFAOYSA-N131.7Ex 131.67(BP est) -41.66(MP est) ----(BP exp) ----(MP exp) ClCNOC=C -41.7PredN
NOC(C=C)Cl4976107.537C3H6ClNOO-(1-chloroallyl)hydroxylamineN126NOC(C=C)ClInChI=1S/C3H6ClNO/c1-2-3(4)6-5/h2-3H,1,5H2InChIKey=PMLJMKFOQOCGJX-UHFFFAOYSA-N123.3Ex 123.25(BP est) -36.32(MP est) ----(BP exp) ----(MP exp) NOC(C=C)Cl -36.3PredN
CNOC(Cl)=C4977107.537C3H6ClNOO-(1-chlorovinyl)-N-methylhydroxylamineN126CNOC(Cl)=CInChI=1S/C3H6ClNO/c1-3(4)6-5-2/h5H,1H2,2H3InChIKey=JHQKQNICWOGTCD-UHFFFAOYSA-N97.6Ex 97.61(BP est) -58.58(MP est) ----(BP exp) ----(MP exp) CNOC(Cl)=C -58.6PredN
NOCC(Cl)=C4978107.537C3H6ClNOO-(2-chloroallyl)hydroxylamineN126NOCC(Cl)=CInChI=1S/C3H6ClNO/c1-3(4)2-6-5/h1-2,5H2InChIKey=BIQPBWPHTUELQA-UHFFFAOYSA-N116.2Ex 116.19(BP est) -37.86(MP est) ----(BP exp) ----(MP exp) NOCC(Cl)=C -37.9PredN
CNOC=CCl4979107.537C3H6ClNOO-(2-chlorovinyl)-N-methylhydroxylamineN126CNOC=CClInChI=1S/C3H6ClNO/c1-5-6-3-2-4/h2-3,5H,1H3InChIKey=BIXCZHSFCTYIEU-UHFFFAOYSA-N113.2Ex 113.23(BP est) -48.70(MP est) ----(BP exp) ----(MP exp) CNOC=CCl -48.7PredN
NOCC=CCl4980107.537C3H6ClNOO-(3-chloroallyl)hydroxylamineN126NOCC=CClInChI=1S/C3H6ClNO/c4-2-1-3-6-5/h1-2H,3,5H2InChIKey=XGNHRRHYGMFKAQ-UHFFFAOYSA-N131.4Ex 131.35(BP est) -28.11(MP est) ----(BP exp) ----(MP exp) NOCC=CCl -28.1PredN
C=CNOCCl4981107.537C3H6ClNOO-(chloromethyl)-N-vinylhydroxylamineN126C=CNOCClInChI=1S/C3H6ClNO/c1-2-5-6-3-4/h2,5H,1,3H2InChIKey=TYWVJJVHNIFFBJ-UHFFFAOYSA-N131.7Ex 131.67(BP est) -41.66(MP est) ----(BP exp) ----(MP exp) C=CNOCCl -41.7PredN
NC(C(C)C)Cl4982107.581C4H10ClN1-chloro-2-methylpropan-1-amineN166NC(C(C)C)ClInChI=1S/C4H10ClN/c1-3(2)4(5)6/h3-4H,6H2,1-2H3InChIKey=UFAQYUCWFSXDGO-UHFFFAOYSA-N110.0Ex 109.99(BP est) -52.29(MP est) ----(BP exp) ----(MP exp) NC(C(C)C)Cl -52.3PredN
NC(C)(CCl)C4983107.581C4H10ClN1-chloro-2-methylpropan-2-amineN166NC(C)(CCl)CInChI=1S/C4H10ClN/c1-4(2,6)3-5/h3,6H2,1-2H3InChIKey=VLIVAHJJXAHKFO-UHFFFAOYSA-N127.5Ex 127.52(BP est) -30.96(MP est) ----(BP exp) ----(MP exp) NC(C)(CCl)C -31PredN
NC(CCC)Cl4984107.581C4H10ClN1-chlorobutan-1-amineN166NC(CCC)ClInChI=1S/C4H10ClN/c1-2-3-4(5)6/h4H,2-3,6H2,1H3InChIKey=AQCUBEYTIHFGDF-UHFFFAOYSA-N124.1Ex 124.08(BP est) -40.68(MP est) ----(BP exp) ----(MP exp) NC(CCC)Cl -40.7PredN
NC(CC)CCl4985107.581C4H10ClN1-chlorobutan-2-amineN166NC(CC)CClInChI=1S/C4H10ClN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3InChIKey=YCUCPTDUZDXFNU-UHFFFAOYSA-N136.6Ex 136.55(BP est) -37.03(MP est) ----(BP exp) ----(MP exp) NC(CC)CCl -37PredN
CN(C(C)Cl)C4986107.581C4H10ClN1-chloro-N,N-dimethylethan-1-amineN166CN(C(C)Cl)CInChI=1S/C4H10ClN/c1-4(5)6(2)3/h4H,1-3H3InChIKey=GVWMHLCBIUIASU-UHFFFAOYSA-N84.0Ex 84.00(BP est) -77.77(MP est) ----(BP exp) ----(MP exp) CN(C(C)Cl)C -77.8PredN
CCNC(C)Cl4987107.581C4H10ClN1-chloro-N-ethylethan-1-amineN166CCNC(C)ClInChI=1S/C4H10ClN/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=KADMCYKJNHOMOS-UHFFFAOYSA-N105.7Ex 105.73(BP est) -61.33(MP est) ----(BP exp) ----(MP exp) CCNC(C)Cl -61.3PredN
CNC(CC)Cl4988107.581C4H10ClN1-chloro-N-methylpropan-1-amineN166CNC(CC)ClInChI=1S/C4H10ClN/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=MAQAHCBWMBGMBK-UHFFFAOYSA-N105.7Ex 105.73(BP est) -61.33(MP est) ----(BP exp) ----(MP exp) CNC(CC)Cl -61.3PredN
CNC(CCl)C4989107.581C4H10ClN1-chloro-N-methylpropan-2-amineN166CNC(CCl)CInChI=1S/C4H10ClN/c1-4(3-5)6-2/h4,6H,3H2,1-2H3InChIKey=VYTMOKLIWOBZCH-UHFFFAOYSA-N118.6Ex 118.60(BP est) -57.58(MP est) ----(BP exp) ----(MP exp) CNC(CCl)C -57.6PredN
NCC(C)(C)Cl4990107.581C4H10ClN2-chloro-2-methylpropan-1-amineN166NCC(C)(C)ClInChI=1S/C4H10ClN/c1-4(2,5)3-6/h3,6H2,1-2H3InChIKey=LOUHLMICRIPPTD-UHFFFAOYSA-N102.0Ex 101.95(BP est) -38.43(MP est) ----(BP exp) ----(MP exp) NCC(C)(C)Cl -38.4PredN
NCC(CC)Cl4991107.581C4H10ClN2-chlorobutan-1-amineN166NCC(CC)ClInChI=1S/C4H10ClN/c1-2-4(5)3-6/h4H,2-3,6H2,1H3InChIKey=HLAMOBDUIXITIY-UHFFFAOYSA-N124.1Ex 124.08(BP est) -40.68(MP est) ----(BP exp) ----(MP exp) NCC(CC)Cl -40.7PredN
NC(C)(CC)Cl4992107.581C4H10ClN2-chlorobutan-2-amineN166NC(C)(CC)ClInChI=1S/C4H10ClN/c1-3-4(2,5)6/h3,6H2,1-2H3InChIKey=PHSBBIQCKBTNQN-UHFFFAOYSA-N102.0Ex 101.95(BP est) -38.43(MP est) ----(BP exp) ----(MP exp) NC(C)(CC)Cl -38.4PredN
CN(CCCl)C4993107.581C4H10ClN2-chloro-N,N-dimethylethan-1-amineN166CN(CCCl)CInChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=WQMAANNAZKNUDL-UHFFFAOYSA-N109.0Ex 111.68(BP est) -62.19(MP est) 110.00(BP exp) ----(MP exp) CN(CCCl)C -62.2PredN
CCNCCCl4994107.581C4H10ClN2-chloro-N-ethylethan-1-amineN166CCNCCClInChI=1S/C4H10ClN/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=CKMRQPQTHYMMPY-UHFFFAOYSA-N132.5Ex 132.49(BP est) -46.02(MP est) ----(BP exp) ----(MP exp) CCNCCCl -46PredN
CNCC(C)Cl4995107.581C4H10ClN2-chloro-N-methylpropan-1-amineN166CNCC(C)ClInChI=1S/C4H10ClN/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=WEPXZYDSHSYQMK-UHFFFAOYSA-N105.7Ex 105.73(BP est) -61.33(MP est) ----(BP exp) ----(MP exp) CNCC(C)Cl -61.3PredN
CNC(C)(C)Cl4996107.581C4H10ClN2-chloro-N-methylpropan-2-amineN166CNC(C)(C)ClInChI=1S/C4H10ClN/c1-4(2,5)6-3/h6H,1-3H3InChIKey=ALYLVFHALFHDSJ-UHFFFAOYSA-N82.9Ex 82.94(BP est) -59.28(MP est) ----(BP exp) ----(MP exp) CNC(C)(C)Cl -59.3PredN
NCC(CCl)C4997107.581C4H10ClN3-chloro-2-methylpropan-1-amineN166NCC(CCl)CInChI=1S/C4H10ClN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3InChIKey=IHYMTVGUOZKLFK-UHFFFAOYSA-N136.6Ex 136.55(BP est) -37.03(MP est) ----(BP exp) ----(MP exp) NCC(CCl)C -37PredN
NCCC(C)Cl4998107.581C4H10ClN3-chlorobutan-1-amineN166NCCC(C)ClInChI=1S/C4H10ClN/c1-4(5)2-3-6/h4H,2-3,6H2,1H3InChIKey=FDPARAUDZWSHOH-UHFFFAOYSA-N124.1Ex 124.08(BP est) -40.68(MP est) ----(BP exp) ----(MP exp) NCCC(C)Cl -40.7PredN
NC(C(C)Cl)C4999107.581C4H10ClN3-chlorobutan-2-amineN166NC(C(C)Cl)CInChI=1S/C4H10ClN/c1-3(5)4(2)6/h3-4H,6H2,1-2H3InChIKey=UJXUKUWNANDRDH-UHFFFAOYSA-N110.0Ex 109.99(BP est) -52.29(MP est) ----(BP exp) ----(MP exp) NC(C(C)Cl)C -52.3PredN
CNCCCCl5000107.581C4H10ClN3-chloro-N-methylpropan-1-amineN166CNCCCClInChI=1S/C4H10ClN/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=QLHYVFSGYNVMPW-UHFFFAOYSA-N132.5Ex 132.49(BP est) -46.02(MP est) ----(BP exp) ----(MP exp) CNCCCCl -46PredN
NCCCCCl5001107.581C4H10ClN4-chlorobutan-1-amineN166NCCCCClInChI=1S/C4H10ClN/c5-3-1-2-4-6/h1-4,6H2InChIKey=OEOOQMSPHMFXJL-UHFFFAOYSA-N150.0Ex 150.02(BP est) -25.60(MP est) ----(BP exp) ----(MP exp) NCCCCCl -25.6PredN
NC(CCCl)C5002107.581C4H10ClN4-chlorobutan-2-amineN166NC(CCCl)CInChI=1S/C4H10ClN/c1-4(6)2-3-5/h4H,2-3,6H2,1H3InChIKey=GCAMQFBODZNEGE-UHFFFAOYSA-N136.6Ex 136.55(BP est) -37.03(MP est) ----(BP exp) ----(MP exp) NC(CCCl)C -37PredN
CN(CC)CCl5003107.581C4H10ClNN-(chloromethyl)-N-methylethanamineN166CN(CC)CClInChI=1S/C4H10ClN/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=RBIMSIJWXIIZEV-UHFFFAOYSA-N111.7Ex 111.68(BP est) -62.19(MP est) ----(BP exp) ----(MP exp) CN(CC)CCl -62.2PredN
ClCNCCC5004107.581C4H10ClNN-(chloromethyl)propan-1-amineN166ClCNCCCInChI=1S/C4H10ClN/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=PARBAUNUZJLFNX-UHFFFAOYSA-N132.5Ex 132.49(BP est) -46.02(MP est) ----(BP exp) ----(MP exp) ClCNCCC -46PredN
ClCNC(C)C5005107.581C4H10ClNN-(chloromethyl)propan-2-amineN166ClCNC(C)CInChI=1S/C4H10ClN/c1-4(2)6-3-5/h4,6H,3H2,1-2H3InChIKey=YSRBMYNPIBUFKL-UHFFFAOYSA-N118.6Ex 118.60(BP est) -57.58(MP est) ----(BP exp) ----(MP exp) ClCNC(C)C -57.6PredN
O=P(C#CF)O5008108.008C2H2FO2P(fluoroethynyl)phosphinic acidN86O=P(C#CF)OInChI=1S/C2H2FO2P/c3-1-2-6(4)5/h6H,(H,4,5)InChIKey=OCIGUPXSHGKIOR-UHFFFAOYSA-N200.4Ex 200.36(BP est) 29.99(MP est) ----(BP exp) ----(MP exp) O=P(C#CF)O 30PredN
PC(C#C)(F)F5010108.028C3H3F2P(1,1-difluoroprop-2-yn-1-yl)phosphaneN96PC(C#C)(F)FInChI=1S/C3H3F2P/c1-2-3(4,5)6/h1H,6H2InChIKey=HSWBAVBZZUYTAO-UHFFFAOYSA-N48.1Ex 48.10(BP est) -76.61(MP est) ----(BP exp) ----(MP exp) PC(C#C)(F)F -76.6PredN
PC(F)C#CF5011108.028C3H3F2P(1,3-difluoroprop-2-yn-1-yl)phosphaneN96PC(F)C#CFInChI=1S/C3H3F2P/c4-2-1-3(5)6/h3H,6H2InChIKey=UBSWBNAQRZYXGU-UHFFFAOYSA-N67.8Ex 67.77(BP est) -50.02(MP est) ----(BP exp) ----(MP exp) PC(F)C#CF -50PredN
FC(PC#C)F5012108.028C3H3F2P(difluoromethyl)(ethynyl)phosphaneN96FC(PC#C)FInChI=1S/C3H3F2P/c1-2-6-3(4)5/h1,3,6HInChIKey=JNIVTICRNMCOLU-UHFFFAOYSA-N36.0Ex 36.01(BP est) -97.04(MP est) ----(BP exp) ----(MP exp) FC(PC#C)F -97PredN
FCPC#CF5013108.028C3H3F2P(fluoroethynyl)(fluoromethyl)phosphaneN96FCPC#CFInChI=1S/C3H3F2P/c4-1-2-6-3-5/h6H,3H2InChIKey=NGLLTRRQCHGRGT-UHFFFAOYSA-N61.3Ex 61.27(BP est) -52.60(MP est) ----(BP exp) ----(MP exp) FCPC#CF -52.6PredN
FC1(F)C=CP15014108.028C3H3F2P2,2-difluoro-1,2-dihydrophospheteN96FC1(F)C=CP1InChI=1S/C3H3F2P/c4-3(5)1-2-6-3/h1-2,6HInChIKey=NZLOUYUHAVAHAN-UHFFFAOYSA-N36.7Ex 36.68(BP est) -91.53(MP est) ----(BP exp) ----(MP exp) FC1(F)C=CP1 -91.5PredN
FC1C(F)=CP15015108.028C3H3F2P2,3-difluoro-1,2-dihydrophospheteN96FC1C(F)=CP1InChI=1S/C3H3F2P/c4-2-1-6-3(2)5/h1,3,6HInChIKey=JEPATZYJFXWKII-UHFFFAOYSA-N48.2Ex 48.21(BP est) -93.85(MP est) ----(BP exp) ----(MP exp) FC1C(F)=CP1 -93.9PredN
FC1C=C(F)P15016108.028C3H3F2P2,4-difluoro-1,2-dihydrophospheteN96FC1C=C(F)P1InChI=1S/C3H3F2P/c4-2-1-3(5)6-2/h1-2,6HInChIKey=RZIMWNIXUAXNFW-UHFFFAOYSA-N48.2Ex 48.21(BP est) -93.85(MP est) ----(BP exp) ----(MP exp) FC1C=C(F)P1 -93.9PredN
FC1=C(CP1)F5017108.028C3H3F2P3,4-difluoro-1,2-dihydrophospheteN96FC1=C(CP1)FInChI=1S/C3H3F2P/c4-2-1-6-3(2)5/h6H,1H2InChIKey=DRHOAQNZKCUIPE-UHFFFAOYSA-N53.5Ex 53.48(BP est) -83.93(MP est) ----(BP exp) ----(MP exp) FC1=C(CP1)F -83.9PredN
O=P(O)(C=C)O5019108.033C2H5O3Pvinylphosphonic acidN116O=P(O)(C=C)OInChI=1S/C2H5O3P/c1-2-6(3,4)5/h2H,1H2,(H2,3,4,5)InChIKey=ZTWTYVWXUKTLCP-UHFFFAOYSA-N264.3Ex 264.30(BP est) 16.66(MP est) ----(BP exp) 41.00(MP exp) O=P(O)(C=C)O 41ExptN
O=PC(F)CC5021108.052C3H6FOP(1-fluoropropyl)(oxo)phosphaneN126O=PC(F)CCInChI=1S/C3H6FOP/c1-2-3(4)6-5/h3H,2H2,1H3InChIKey=FHRMSDPTTIKBOQ-UHFFFAOYSA-N96.5Ex 96.52(BP est) -77.47(MP est) ----(BP exp) ----(MP exp) O=PC(F)CC -77.5PredN
FC(POC)=C5023108.052C3H6FOP(1-fluorovinyl)(methoxy)phosphaneN126FC(POC)=CInChI=1S/C3H6FOP/c1-3(4)6-5-2/h6H,1H2,2H3InChIKey=BWJZXFDTXGKGKS-UHFFFAOYSA-N57.9Ex 57.94(BP est) -103.66(MP est) ----(BP exp) ----(MP exp) FC(POC)=C -103.7PredN
O=P(C)C(F)=C5024108.052C3H6FOP(1-fluorovinyl)(methyl)phosphine oxideN126O=P(C)C(F)=CInChI=1S/C3H6FOP/c1-3(4)6(2)5/h6H,1H2,2H3InChIKey=BYTHEBUDCZTHLI-UHFFFAOYSA-N100.4Ex 100.43(BP est) -84.87(MP est) ----(BP exp) ----(MP exp) O=P(C)C(F)=C -84.9PredN
O=PCC(F)C5026108.052C3H6FOP(2-fluoropropyl)(oxo)phosphaneN126O=PCC(F)CInChI=1S/C3H6FOP/c1-3(4)2-6-5/h3H,2H2,1H3InChIKey=YQIHFQPQFLOOAI-UHFFFAOYSA-N96.5Ex 96.52(BP est) -77.47(MP est) ----(BP exp) ----(MP exp) O=PCC(F)C -77.5PredN
FC=CPOC5028108.052C3H6FOP(2-fluorovinyl)(methoxy)phosphaneN126FC=CPOCInChI=1S/C3H6FOP/c1-5-6-3-2-4/h2-3,6H,1H3InChIKey=WUIBMGSPZNCELX-UHFFFAOYSA-N74.5Ex 74.50(BP est) -93.51(MP est) ----(BP exp) ----(MP exp) FC=CPOC -93.5PredN
O=P(C)C=CF5029108.052C3H6FOP(2-fluorovinyl)(methyl)phosphine oxideN126O=P(C)C=CFInChI=1S/C3H6FOP/c1-6(5)3-2-4/h2-3,6H,1H3InChIKey=XBQIXZLBQXLURC-UHFFFAOYSA-N116.0Ex 115.98(BP est) -75.01(MP est) ----(BP exp) ----(MP exp) O=P(C)C=CF -75PredN
O=PCCCF5031108.052C3H6FOP(3-fluoropropyl)(oxo)phosphaneN126O=PCCCFInChI=1S/C3H6FOP/c4-2-1-3-6-5/h1-3H2InChIKey=TWDMOFYAAWHCMZ-UHFFFAOYSA-N110.9Ex 110.91(BP est) -65.76(MP est) ----(BP exp) ----(MP exp) O=PCCCF -65.8PredN
O=P(CF)C=C5033108.052C3H6FOP(fluoromethyl)(vinyl)phosphine oxideN126O=P(CF)C=CInChI=1S/C3H6FOP/c1-2-6(5)3-4/h2,6H,1,3H2InChIKey=KRZIQIJKJPPZLG-UHFFFAOYSA-N107.0Ex 106.95(BP est) -75.99(MP est) ----(BP exp) ----(MP exp) O=P(CF)C=C -76PredN
O=P1(CF)CC15034108.052C3H6FOP1-(fluoromethyl)phosphirane 1-oxideN126O=P1(CF)CC1InChI=1S/C3H6FOP/c4-3-6(5)1-2-6/h1-3H2InChIKey=QTLILAFIZVXHCW-UHFFFAOYSA-N115.2Ex 115.23(BP est) -68.03(MP est) ----(BP exp) ----(MP exp) O=P1(CF)CC1 -68PredN
FC1CP1OC5035108.052C3H6FOP2-fluoro-1-methoxyphosphiraneN126FC1CP1OCInChI=1S/C3H6FOP/c1-5-6-2-3(6)4/h3H,2H2,1H3InChIKey=IDYWDKGYZZZTTN-UHFFFAOYSA-N69.8Ex 69.75(BP est) -82.31(MP est) ----(BP exp) ----(MP exp) FC1CP1OC -82.3PredN
O=P1(C)C(F)C15036108.052C3H6FOP2-fluoro-1-methylphosphirane 1-oxideN126O=P1(C)C(F)C1InChI=1S/C3H6FOP/c1-6(5)2-3(6)4/h3H,2H2,1H3InChIKey=ALADESHQMURUJF-UHFFFAOYSA-N108.4Ex 108.39(BP est) -72.14(MP est) ----(BP exp) ----(MP exp) O=P1(C)C(F)C1 -72.1PredN
O=P1C(F)CC15038108.052C3H6FOP2-fluorophosphetane 1-oxideN126O=P1C(F)CC1InChI=1S/C3H6FOP/c4-3-1-2-6(3)5/h3,6H,1-2H2InChIKey=CLTNJHQBHKDRPJ-UHFFFAOYSA-N112.7Ex 112.74(BP est) -64.45(MP est) ----(BP exp) ----(MP exp) O=P1C(F)CC1 -64.5PredN
O=P1CC(F)C15040108.052C3H6FOP3-fluorophosphetane 1-oxideN126O=P1CC(F)C1InChI=1S/C3H6FOP/c4-3-1-6(5)2-3/h3,6H,1-2H2InChIKey=LEROSBOGVMWKCR-UHFFFAOYSA-N112.7Ex 112.74(BP est) -64.45(MP est) ----(BP exp) ----(MP exp) O=P1CC(F)C1 -64.5PredN
PCCCP5041108.061C3H10P21,3-bis(phosphaneyl)propaneN155PCCCPInChI=1S/C3H10P2/c4-2-1-3-5/h1-5H2InChIKey=PKYIOXGHYZJCRH-UHFFFAOYSA-N121.4Ex 121.41(BP est) -64.81(MP est) ----(BP exp) ----(MP exp) PCCCP -64.8PredN
CP(C)CP5042108.061C3H10P2dimethyl(phosphaneylmethyl)phosphaneN155CP(C)CPInChI=1S/C3H10P2/c1-5(2)3-4/h3-4H2,1-2H3InChIKey=MSRKCBXOAVTDSL-UHFFFAOYSA-N102.1Ex 102.10(BP est) -79.32(MP est) ----(BP exp) ----(MP exp) CP(C)CP -79.3PredN
CC(C)(P)P5043108.061C3H10P2propane-2,2-diylbis(phosphane)N155CC(C)(P)PInChI=1S/C3H10P2/c1-3(2,4)5/h4-5H2,1-2H3InChIKey=PANKGCGFRQKGCF-UHFFFAOYSA-N97.8Ex 97.77(BP est) -70.50(MP est) ----(BP exp) ----(MP exp) CC(C)(P)P -70.5PredN
O=P(C)(C)CO5044108.077C3H9O2P(hydroxymethyl)dimethylphosphine oxideN156O=P(C)(C)COInChI=1S/C3H9O2P/c1-6(2,5)3-4/h4H,3H2,1-2H3InChIKey=RQOKIVVUNQCMJS-UHFFFAOYSA-N187.2Ex 187.24(BP est) -29.74(MP est) ----(BP exp) ----(MP exp) O=P(C)(C)CO -29.7PredN
CP(OC)OC5045108.077C3H9O2Pdimethyl methylphosphoniteN156CP(OC)OCInChI=1S/C3H9O2P/c1-4-6(3)5-2/h1-3H3InChIKey=ZXMSTCRBSAVFDO-UHFFFAOYSA-N91.1Ex 91.10(BP est) -75.99(MP est) ----(BP exp) ----(MP exp) CP(OC)OC -76PredN
CP(O)OCC5046108.077C3H9O2Pethyl hydrogen methylphosphoniteN156CP(O)OCCInChI=1S/C3H9O2P/c1-3-5-6(2)4/h4H,3H2,1-2H3InChIKey=GZBQGSURWYXEQF-UHFFFAOYSA-N169.6Ex 169.57(BP est) -33.78(MP est) ----(BP exp) ----(MP exp) CP(O)OCC -33.8PredN
O=P(C)OCC5047108.077C3H9O2Pethyl methylphosphinateN156O=P(C)OCCInChI=1S/C3H9O2P/c1-3-5-6(2)4/h6H,3H2,1-2H3InChIKey=DYMNYAUKLJWAIE-UHFFFAOYSA-N130.6Ex 130.62(BP est) -57.38(MP est) ----(BP exp) ----(MP exp) O=P(C)OCC -57.4PredN
O=P(O)(C)CC5048108.077C3H9O2Pethyl(methyl)phosphinic acidN156O=P(O)(C)CCInChI=1S/C3H9O2P/c1-3-6(2,4)5/h3H2,1-2H3,(H,4,5)InChIKey=NXHKQBCTZHECQF-UHFFFAOYSA-N202.1Ex 202.06(BP est) -25.41(MP est) ----(BP exp) ----(MP exp) O=P(O)(C)CC -25.4PredN
O=P(OC)(C)C5050108.077C3H9O2Pmethyl dimethylphosphinateN156O=P(OC)(C)CInChI=1S/C3H9O2P/c1-5-6(2,3)4/h1-3H3InChIKey=HAXBLJDZJKJLHZ-UHFFFAOYSA-N128.5Ex 128.51(BP est) -66.18(MP est) ----(BP exp) ----(MP exp) O=P(OC)(C)C -66.2PredN
O=P(CC)OC5051108.077C3H9O2Pmethyl ethylphosphinateN156O=P(CC)OCInChI=1S/C3H9O2P/c1-3-6(4)5-2/h6H,3H2,1-2H3InChIKey=UKYDHJFIABBUJB-UHFFFAOYSA-N130.6Ex 130.62(BP est) -57.38(MP est) ----(BP exp) ----(MP exp) O=P(CC)OC -57.4PredN
CCP(O)OC5052108.077C3H9O2Pmethyl hydrogen ethylphosphoniteN156CCP(O)OCInChI=1S/C3H9O2P/c1-3-6(4)5-2/h4H,3H2,1-2H3InChIKey=IOUCBORLVPPCKY-UHFFFAOYSA-N169.6Ex 169.57(BP est) -33.78(MP est) ----(BP exp) ----(MP exp) CCP(O)OC -33.8PredN
O=P(CCC)O5053108.077C3H9O2Ppropylphosphinic acidN156O=P(CCC)OInChI=1S/C3H9O2P/c1-2-3-6(4)5/h6H,2-3H2,1H3,(H,4,5)InChIKey=DGLXNOJGOHKWTN-UHFFFAOYSA-N203.9Ex 203.89(BP est) -16.69(MP est) ----(BP exp) ----(MP exp) O=P(CCC)O -16.7PredN
CCCP(O)O5054108.077C3H9O2Ppropylphosphonous acidN156CCCP(O)OInChI=1S/C3H9O2P/c1-2-3-6(4)5/h4-5H,2-3H2,1H3InChIKey=MWBOOFOIEFTTHB-UHFFFAOYSA-N237.3Ex 237.34(BP est) 5.30(MP est) ----(BP exp) ----(MP exp) CCCP(O)O 5.3PredN
CP(C)C(F)C5055108.096C4H10FP(1-fluoroethyl)dimethylphosphaneN166CP(C)C(F)CInChI=1S/C4H10FP/c1-4(5)6(2)3/h4H,1-3H3InChIKey=KUURVGZVTYDIJF-UHFFFAOYSA-N51.4Ex 51.42(BP est) -111.37(MP est) ----(BP exp) ----(MP exp) CP(C)C(F)C -111.4PredN
CPC(F)CC5056108.096C4H10FP(1-fluoropropyl)(methyl)phosphaneN166CPC(F)CCInChI=1S/C4H10FP/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=GLTHSIHPOHAPDS-UHFFFAOYSA-N50.4Ex 50.38(BP est) -110.99(MP est) ----(BP exp) ----(MP exp) CPC(F)CC -111PredN
CP(C)CCF5057108.096C4H10FP(2-fluoroethyl)dimethylphosphaneN166CP(C)CCFInChI=1S/C4H10FP/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=CEZHYUWLTHLUIO-UHFFFAOYSA-N66.8Ex 66.80(BP est) -99.38(MP est) ----(BP exp) ----(MP exp) CP(C)CCF -99.4PredN
CPCC(F)C5058108.096C4H10FP(2-fluoropropyl)(methyl)phosphaneN166CPCC(F)CInChI=1S/C4H10FP/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=SQVFLRJDKAOUSW-UHFFFAOYSA-N50.4Ex 50.38(BP est) -110.99(MP est) ----(BP exp) ----(MP exp) CPCC(F)C -111PredN
CPCCCF5059108.096C4H10FP(3-fluoropropyl)(methyl)phosphaneN166CPCCCFInChI=1S/C4H10FP/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=NKBQWIZGONNIIB-UHFFFAOYSA-N65.8Ex 65.79(BP est) -98.99(MP est) ----(BP exp) ----(MP exp) CPCCCF -99PredN
FCPCCC5060108.096C4H10FP(fluoromethyl)(propyl)phosphaneN166FCPCCCInChI=1S/C4H10FP/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=VYOYRKAFUGPTTD-UHFFFAOYSA-N65.8Ex 65.79(BP est) -98.99(MP est) ----(BP exp) ----(MP exp) FCPCCC -99PredN
CCPC(F)C5061108.096C4H10FPethyl(1-fluoroethyl)phosphaneN166CCPC(F)CInChI=1S/C4H10FP/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=RIIKRQARGIEXOX-UHFFFAOYSA-N50.4Ex 50.38(BP est) -110.99(MP est) ----(BP exp) ----(MP exp) CCPC(F)C -111PredN
CCPCCF5062108.096C4H10FPethyl(2-fluoroethyl)phosphaneN166CCPCCFInChI=1S/C4H10FP/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=QSZQIJGHGCLBPC-UHFFFAOYSA-N65.8Ex 65.79(BP est) -98.99(MP est) ----(BP exp) ----(MP exp) CCPCCF -99PredN
CP(CF)CC5063108.096C4H10FPethyl(fluoromethyl)(methyl)phosphaneN166CP(CF)CCInChI=1S/C4H10FP/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=CYODHLJYSIJRKX-UHFFFAOYSA-N66.8Ex 66.80(BP est) -99.38(MP est) ----(BP exp) ----(MP exp) CP(CF)CC -99.4PredN
SC(F)(F)(C#C)5064108.106C3H2F2S1,1-difluoroprop-2-yne-1-thiolN86SC(F)(F)(C#C)InChI=1S/C3H2F2S/c1-2-3(4,5)6/h1,6HInChIKey=GNGLWMCUQNTCSQ-UHFFFAOYSA-N71.9Ex 71.88(BP est) -67.13(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(C#C) -67.1PredN
SC(F)(C#CF)5065108.106C3H2F2S1,3-difluoroprop-2-yne-1-thiolN86SC(F)(C#CF)InChI=1S/C3H2F2S/c4-2-1-3(5)6/h3,6HInChIKey=YIGMHIJOYHCNDQ-UHFFFAOYSA-N90.9Ex 90.90(BP est) -40.72(MP est) ----(BP exp) ----(MP exp) SC(F)(C#CF) -40.7PredN
FC(F)C1=CS15066108.106C3H2F2S2-(difluoromethyl)thiireneN86FC(F)C1=CS1InChI=1S/C3H2F2S/c4-3(5)2-1-6-2/h1,3HInChIKey=GSOFARBINSTIPJ-UHFFFAOYSA-N67.9Ex 67.90(BP est) -62.26(MP est) ----(BP exp) ----(MP exp) FC(F)C1=CS1 -62.3PredN
FC(S1)=C1CF5067108.106C3H2F2S2-fluoro-3-(fluoromethyl)thiireneN86FC(S1)=C1CFInChI=1S/C3H2F2S/c4-1-2-3(5)6-2/h1H2InChIKey=KZKSEKSICKOEJJ-UHFFFAOYSA-N80.8Ex 80.81(BP est) -44.73(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1CF -44.7PredN
O=S1OCCO15068108.111C2H4O3S1,3,2-dioxathiolane 2-oxideN106O=S1OCCO1InChI=1S/C2H4O3S/c3-6-4-1-2-5-6/h1-2H2InChIKey=WDXYVJKNSMILOQ-UHFFFAOYSA-N173.0Ex 195.18(BP est) 5.62(MP est) 173.00(BP exp) -11.00(MP exp) O=S1OCCO1 -11ExptN
O=C(S(=O)O)C5069108.111C2H4O3S1-oxoethane-1-sulfinic acidN106O=C(S(=O)O)CInChI=1S/C2H4O3S/c1-2(3)6(4)5/h1H3,(H,4,5)InChIKey=HDOUSZUZPWOCBL-UHFFFAOYSA-N257.4Ex 257.40(BP est) 43.26(MP est) ----(BP exp) ----(MP exp) O=C(S(=O)O)C 43.3PredN
O=CCS(=O)O5070108.111C2H4O3S2-oxoethane-1-sulfinic acidN106O=CCS(=O)OInChI=1S/C2H4O3S/c3-1-2-6(4)5/h1H,2H2,(H,4,5)InChIKey=GPIFJZBDHMKDSK-UHFFFAOYSA-N267.2Ex 267.20(BP est) 42.16(MP est) ----(BP exp) ----(MP exp) O=CCS(=O)O 42.2PredY(Schomburg et al. 2002)
C=CS(=O)(=O)O5071108.111C2H4O3Sethenesulfonic acidN106C=CS(=O)(=O)OInChI=1S/C2H4O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)InChIKey=NLVXSWCKKBEXTG-UHFFFAOYSA-N234.0Ex 233.98(BP est) 35.58(MP est) ----(BP exp) ----(MP exp) C=CS(=O)(=O)O 35.6PredN
O=S(OC=C)O5072108.111C2H4O3Svinyl hydrogen sulfiteN106O=S(OC=C)OInChI=1S/C2H4O3S/c1-2-5-6(3)4/h2H,1H2,(H,3,4)InChIKey=RBBXSUBZFUWCAV-UHFFFAOYSA-N240.0Ex 240.03(BP est) 23.46(MP est) ----(BP exp) ----(MP exp) O=S(OC=C)O 23.5PredN
O=S(C(N)=N)O5073108.115CH4N2O2Samino(imino)methanesulfinic acidN106O=S(C(N)=N)OInChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)InChIKey=FYOWZTWVYZOZSI-UHFFFAOYSA-N300.3Ex 300.33(BP est) 88.04(MP est) ----(BP exp) 126.00(MP exp) O=S(C(N)=N)O 126ExptN
O=S(O)\C=N\N5074108.115CH4N2O2Shydrazineylidenemethanesulfinic acidN106O=S(O)\C=N\NInChI=1S/CH4N2O2S/c2-3-1-6(4)5/h1H,2H2,(H,4,5)InChIKey=OUASGMIEWUEZBQ-UHFFFAOYSA-N276.4Ex 276.40(BP est) 58.57(MP est) ----(BP exp) ----(MP exp) O=S(O)\C=N\N 58.6PredN
F[Si](C#C)(O)F5075108.119C2H2F2OSiethynyldifluorosilanolN86F[Si](C#C)(O)FInChI=1S/C2H2F2OSi/c1-2-6(3,4)5/h1,5HInChIKey=KKSGZLHMAPJOSF-UHFFFAOYSA-N96.3Ex 96.25(BP est) -50.74(MP est) ----(BP exp) ----(MP exp) F[Si](C#C)(O)F -50.7PredN
NC(NCF)=S5076108.134C2H5FN2S1-(fluoromethyl)thioureaN116NC(NCF)=SInChI=1S/C2H5FN2S/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=ONCLBPZWSDUAED-UHFFFAOYSA-N164.7Ex 164.68(BP est) 18.44(MP est) ----(BP exp) ----(MP exp) NC(NCF)=S 18.4PredN
NC(N(C)F)=S5077108.134C2H5FN2S1-fluoro-1-methylthioureaN116NC(N(C)F)=SInChI=1S/C2H5FN2S/c1-5(3)2(4)6/h1H3,(H2,4,6)InChIKey=JSNVNWXYYFXKOB-UHFFFAOYSA-N145.1Ex 145.06(BP est) 2.61(MP est) ----(BP exp) ----(MP exp) NC(N(C)F)=S 2.6PredN
FNC(NC)=S5078108.134C2H5FN2S1-fluoro-3-methylthioureaN116FNC(NC)=SInChI=1S/C2H5FN2S/c1-4-2(6)5-3/h1H3,(H2,4,5,6)InChIKey=NBIQSNUURIMILS-UHFFFAOYSA-N147.6Ex 147.63(BP est) -1.84(MP est) ----(BP exp) ----(MP exp) FNC(NC)=S -1.8PredN
CCSPC5079108.139C3H9PS(ethylthio)(methyl)phosphaneN145CCSPCInChI=1S/C3H9PS/c1-3-5-4-2/h4H,3H2,1-2H3InChIKey=GKSSJJONAVFGBN-UHFFFAOYSA-N109.1Ex 109.08(BP est) -75.08(MP est) ----(BP exp) ----(MP exp) CCSPC -75.1PredN
S=P(C)(C)C5080108.139C3H9PStrimethylphosphine sulfideN145S=P(C)(C)CInChI=1S/C3H9PS/c1-4(2,3)5/h1-3H3InChIKey=KTFAZNVGJUIWJM-UHFFFAOYSA-N97.0Ex 97.03(BP est) -146.48(MP est) ----(BP exp) ----(MP exp) S=P(C)(C)C -146.5PredN
O=S(CC)(C)=O5081108.155C3H8O2S(methylsulfonyl)ethaneN146O=S(CC)(C)=OInChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3InChIKey=YBJCDTIWNDBNTM-UHFFFAOYSA-N166.4Ex 166.40(BP est) -8.04(MP est) ----(BP exp) ----(MP exp) O=S(CC)(C)=O -8PredY(Bingham et al. 2001)
SCC(CO)O5082108.155C3H8O2S3-mercaptopropane-1,2-diolN146SCC(CO)OInChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2InChIKey=PJUIMOJAAPLTRJ-UHFFFAOYSA-N225.5Ex 225.46(BP est) 5.75(MP est) ----(BP exp) ----(MP exp) SCC(CO)O 5.8PredN
F[Si]1(CCC1)F5083108.163C3H6F2Si1,1-difluorosiletaneN126F[Si]1(CCC1)FInChI=1S/C3H6F2Si/c4-6(5)2-1-3-6/h1-3H2InChIKey=LMHRMNRFXFASEH-UHFFFAOYSA-N-6.4Ex -6.38(BP est) -77.39(MP est) ----(BP exp) ----(MP exp) F[Si]1(CCC1)F -77.4PredN
F[Si]1(CC1F)C5084108.163C3H6F2Si1,2-difluoro-1-methylsiliraneN126F[Si]1(CC1F)CInChI=1S/C3H6F2Si/c1-6(5)2-3(6)4/h3H,2H2,1H3InChIKey=DIANMHSBLRKGMV-UHFFFAOYSA-N-17.0Ex -17.03(BP est) -80.86(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1F)C -80.9PredN
F[Si]1(CC1)CF5085108.163C3H6F2Si1-fluoro-1-(fluoromethyl)siliraneN126F[Si]1(CC1)CFInChI=1S/C3H6F2Si/c4-3-6(5)1-2-6/h1-3H2InChIKey=FNXQMLXBGMWMKC-UHFFFAOYSA-N-8.9Ex -8.93(BP est) -76.37(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1)CF -76.4PredN
F[Si](C)(C=C)F5086108.163C3H6F2Sidifluoro(methyl)(vinyl)silaneN126F[Si](C)(C=C)FInChI=1S/C3H6F2Si/c1-3-6(2,4)5/h3H,1H2,2H3InChIKey=YWDNPUPJGIAAOW-UHFFFAOYSA-N27.0Ex -5.04(BP est) -129.45(MP est) ----(BP exp) ----(MP exp) F[Si](C)(C=C)F -129.5PredN
O=S1CSC15087108.173C2H4OS21,3-dithietane 1-oxideN95O=S1CSC1InChI=1S/C2H4OS2/c3-5-1-4-2-5/h1-2H2InChIKey=IWEQNMOZZAVUCY-UHFFFAOYSA-N197.7Ex 197.70(BP est) 20.27(MP est) ----(BP exp) ----(MP exp) O=S1CSC1 20.3PredN
C(C(=S)S)O5089108.173C2H4OS22-hydroxyethanedithioic acidN95C(C(=S)S)OInChI=1S/C2H4OS2/c3-1-2(4)5/h3H,1H2,(H,4,5)InChIKey=VAEMGHXAIBEXNI-UHFFFAOYSA-N217.3Ex 217.26(BP est) 14.17(MP est) ----(BP exp) ----(MP exp) C(C(=S)S)O 14.2PredN
O=C(S)CS5090108.173C2H4OS22-mercaptoethanethioic S-acidN95O=C(S)CSInChI=1S/C2H4OS2/c3-2(5)1-4/h4H,1H2,(H,3,5)InChIKey=PFVKCTWMDORJLX-UHFFFAOYSA-N183.3Ex 183.25(BP est) -22.34(MP est) ----(BP exp) ----(MP exp) O=C(S)CS -22.3PredN
OCC1SS15091108.173C2H4OS2dithiiran-3-ylmethanolN95OCC1SS1InChI=1S/C2H4OS2/c3-1-2-4-5-2/h2-3H,1H2InChIKey=BXCFMSBBXCBULK-UHFFFAOYSA-N194.4Ex 194.35(BP est) 24.15(MP est) ----(BP exp) ----(MP exp) OCC1SS1 24.2PredN
CSC(=S)O5092108.173C2H4OS2S-methyl O-hydrogen carbonodithioateN95CSC(=S)OInChI=1S/C2H4OS2/c1-5-2(3)4/h1H3,(H,3,4)InChIKey=NYEBKUUITGFJAK-UHFFFAOYSA-N219.8Ex 219.84(BP est) 13.90(MP est) ----(BP exp) ----(MP exp) CSC(=S)O 13.9PredN
CSC(C)(CF)5093108.174C4H9FS(1-fluoropropan-2-yl)(methyl)sulfaneN156CSC(C)(CF)InChI=1S/C4H9FS/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=CBVOTQOIBQVVDA-UHFFFAOYSA-N80.5Ex 80.53(BP est) -92.48(MP est) ----(BP exp) ----(MP exp) CSC(C)(CF) -92.5PredN
CSC(F)(CC)5094108.174C4H9FS(1-fluoropropyl)(methyl)sulfaneN156CSC(F)(CC)InChI=1S/C4H9FS/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=NOTNGCNAQYCCNS-UHFFFAOYSA-N80.5Ex 80.53(BP est) -92.48(MP est) ----(BP exp) ----(MP exp) CSC(F)(CC) -92.5PredN
CSC(F)(C)(C)5095108.174C4H9FS(2-fluoropropan-2-yl)(methyl)sulfaneN156CSC(F)(C)(C)InChI=1S/C4H9FS/c1-4(2,5)6-3/h1-3H3InChIKey=YZBIQFCXNORURP-UHFFFAOYSA-N70.7Ex 70.65(BP est) -86.66(MP est) ----(BP exp) ----(MP exp) CSC(F)(C)(C) -86.7PredN
CSC(C(F)C)5096108.174C4H9FS(2-fluoropropyl)(methyl)sulfaneN156CSC(C(F)C)InChI=1S/C4H9FS/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=PNTQYAHQJQRSPC-UHFFFAOYSA-N80.5Ex 80.53(BP est) -92.48(MP est) ----(BP exp) ----(MP exp) CSC(C(F)C) -92.5PredN
CSC(CCF)5097108.174C4H9FS(3-fluoropropyl)(methyl)sulfaneN156CSC(CCF)InChI=1S/C4H9FS/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=LARDTLPKENKXQG-UHFFFAOYSA-N95.3Ex 95.29(BP est) -80.68(MP est) ----(BP exp) ----(MP exp) CSC(CCF) -80.7PredN
C(F)SC(C)(C)5098108.174C4H9FS(fluoromethyl)(isopropyl)sulfaneN156C(F)SC(C)(C)InChI=1S/C4H9FS/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=FHCPKVKIUQAQHG-UHFFFAOYSA-N80.5Ex 80.53(BP est) -92.48(MP est) ----(BP exp) ----(MP exp) C(F)SC(C)(C) -92.5PredN
C(F)SC(CC)5099108.174C4H9FS(fluoromethyl)(propyl)sulfaneN156C(F)SC(CC)InChI=1S/C4H9FS/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=ZNUKZSBGRZZBEC-UHFFFAOYSA-N95.3Ex 95.29(BP est) -80.68(MP est) ----(BP exp) ----(MP exp) C(F)SC(CC) -80.7PredN
SC(F)C(C)(C)5100108.174C4H9FS1-fluoro-2-methylpropane-1-thiolN156SC(F)C(C)(C)InChI=1S/C4H9FS/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=YLOWVHHPOLJWBB-UHFFFAOYSA-N80.5Ex 80.46(BP est) -98.97(MP est) ----(BP exp) ----(MP exp) SC(F)C(C)(C) -99PredN
SC(C)(C)(CF)5101108.174C4H9FS1-fluoro-2-methylpropane-2-thiolN156SC(C)(C)(CF)InChI=1S/C4H9FS/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=XWXWCRWLONJBQS-UHFFFAOYSA-N85.6Ex 85.55(BP est) -81.28(MP est) ----(BP exp) ----(MP exp) SC(C)(C)(CF) -81.3PredN
SC(F)(CCC)5102108.174C4H9FS1-fluorobutane-1-thiolN156SC(F)(CCC)InChI=1S/C4H9FS/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=OZIXLAYRMAFUHY-UHFFFAOYSA-N95.2Ex 95.22(BP est) -87.17(MP est) ----(BP exp) ----(MP exp) SC(F)(CCC) -87.2PredN
SC(CF)(CC)5103108.174C4H9FS1-fluorobutane-2-thiolN156SC(CF)(CC)InChI=1S/C4H9FS/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=PYQZCGSRHBQWKQ-UHFFFAOYSA-N95.2Ex 95.22(BP est) -87.17(MP est) ----(BP exp) ----(MP exp) SC(CF)(CC) -87.2PredN
SCC(F)(C)(C)5104108.174C4H9FS2-fluoro-2-methylpropane-1-thiolN156SCC(F)(C)(C)InChI=1S/C4H9FS/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=JWVWMNPYGFVTCU-UHFFFAOYSA-N85.6Ex 85.55(BP est) -81.28(MP est) ----(BP exp) ----(MP exp) SCC(F)(C)(C) -81.3PredN
SC(C(F)CC)5105108.174C4H9FS2-fluorobutane-1-thiolN156SC(C(F)CC)InChI=1S/C4H9FS/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=RHIPBZNFYSYYID-UHFFFAOYSA-N95.2Ex 95.22(BP est) -87.17(MP est) ----(BP exp) ----(MP exp) SC(C(F)CC) -87.2PredN
SC(F)(C)(CC)5106108.174C4H9FS2-fluorobutane-2-thiolN156SC(F)(C)(CC)InChI=1S/C4H9FS/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=UWBDYCYNWMZDIL-UHFFFAOYSA-N85.6Ex 85.55(BP est) -81.28(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(CC) -81.3PredN
SCC(C)(CF)5107108.174C4H9FS3-fluoro-2-methylpropane-1-thiolN156SCC(C)(CF)InChI=1S/C4H9FS/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=PZKBOQPYQWAUOG-UHFFFAOYSA-N95.2Ex 95.22(BP est) -87.17(MP est) ----(BP exp) ----(MP exp) SCC(C)(CF) -87.2PredN
SC(CC(F)C)5108108.174C4H9FS3-fluorobutane-1-thiolN156SC(CC(F)C)InChI=1S/C4H9FS/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=NLGFTMCYBGRNBV-UHFFFAOYSA-N95.2Ex 95.22(BP est) -87.17(MP est) ----(BP exp) ----(MP exp) SC(CC(F)C) -87.2PredN
SC(C)(C(F)C)5109108.174C4H9FS3-fluorobutane-2-thiolN156SC(C)(C(F)C)InChI=1S/C4H9FS/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=OAKCFPJTVNQHMJ-UHFFFAOYSA-N80.5Ex 80.46(BP est) -98.97(MP est) ----(BP exp) ----(MP exp) SC(C)(C(F)C) -99PredN
SC(CCCF)5110108.174C4H9FS4-fluorobutane-1-thiolN156SC(CCCF)InChI=1S/C4H9FS/c5-3-1-2-4-6/h6H,1-4H2InChIKey=KVWVWQWXNALEHJ-UHFFFAOYSA-N109.6Ex 109.64(BP est) -75.46(MP est) ----(BP exp) ----(MP exp) SC(CCCF) -75.5PredN
SC(C)(CCF)5111108.174C4H9FS4-fluorobutane-2-thiolN156SC(C)(CCF)InChI=1S/C4H9FS/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=JWTHUWBKNZESSY-UHFFFAOYSA-N95.2Ex 95.22(BP est) -87.17(MP est) ----(BP exp) ----(MP exp) SC(C)(CCF) -87.2PredN
C(C)SC(F)(C)5112108.174C4H9FSethyl(1-fluoroethyl)sulfaneN156C(C)SC(F)(C)InChI=1S/C4H9FS/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=PBPSYJMQHUWTCC-UHFFFAOYSA-N80.5Ex 80.53(BP est) -92.48(MP est) ----(BP exp) ----(MP exp) C(C)SC(F)(C) -92.5PredN
C(C)SC(CF)5113108.174C4H9FSethyl(2-fluoroethyl)sulfaneN156C(C)SC(CF)InChI=1S/C4H9FS/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=ZKTQZMZINWLMHI-UHFFFAOYSA-N95.3Ex 95.29(BP est) -80.68(MP est) ----(BP exp) ----(MP exp) C(C)SC(CF) -80.7PredN
S=C(S)NN5114108.177CH4N2S2hydrazinecarbodithioic acidN95S=C(S)NNInChI=1S/CH4N2S2/c2-3-1(4)5/h2H2,(H2,3,4,5)InChIKey=YNNGZCVDIREDDK-UHFFFAOYSA-N213.0Ex 212.96(BP est) 33.45(MP est) ----(BP exp) ----(MP exp) S=C(S)NN 33.5PredN
C(=NS)NS5115108.177CH4N2S2N,N'-dimercaptoformimidamideN95C(=NS)NSInChI=1S/CH4N2S2/c4-2-1-3-5/h1,4-5H,(H,2,3)InChIKey=OXNLNDYXZBVKFB-UHFFFAOYSA-N190.7Ex 190.70(BP est) -25.70(MP est) ----(BP exp) ----(MP exp) C(=NS)NS -25.7PredN
C[Si](CF)(O)C5116108.187C3H9FOSi(fluoromethyl)dimethylsilanolN156C[Si](CF)(O)CInChI=1S/C3H9FOSi/c1-6(2,5)3-4/h5H,3H2,1-2H3InChIKey=ACTUQRULWCTKTO-UHFFFAOYSA-N109.4Ex 109.43(BP est) -65.04(MP est) ----(BP exp) ----(MP exp) C[Si](CF)(O)C -65PredN
F[Si](CC)(O)C5117108.187C3H9FOSiethylfluoro(methyl)silanolN156F[Si](CC)(O)CInChI=1S/C3H9FOSi/c1-3-6(2,4)5/h5H,3H2,1-2H3InChIKey=XUTQCDUQEJMUKH-UHFFFAOYSA-N109.4Ex 109.43(BP est) -65.04(MP est) ----(BP exp) ----(MP exp) F[Si](CC)(O)C -65PredN
F[Si](C)(OC)C5118108.187C3H9FOSifluoro(methoxy)dimethylsilaneN156F[Si](C)(OC)CInChI=1S/C3H9FOSi/c1-5-6(2,3)4/h1-3H3InChIKey=IYSWEDXJBQLAJY-UHFFFAOYSA-N22.6Ex 22.63(BP est) -109.68(MP est) ----(BP exp) ----(MP exp) F[Si](C)(OC)C -109.7PredN
CSSC(C)5119108.217C3H8S21-ethyl-2-methyldisulfaneN135CSSC(C)InChI=1S/C3H8S2/c1-3-5-4-2/h3H2,1-2H3InChIKey=XLTBPTGNNLIKRW-UHFFFAOYSA-N134.0Ex 136.67(BP est) -57.32(MP est) ----(BP exp) ----(MP exp) CSSC(C) -57.3PredY(Irwin et al. 2012, DNP 2017)(ref)(Bailey et al. 1961)
SCCSC5120108.217C3H8S22-(methylthio)ethane-1-thiolN135SCCSCInChI=1S/C3H8S2/c1-5-3-2-4/h4H,2-3H2,1H3InChIKey=SJJZGKUOHPJHDH-UHFFFAOYSA-N150.1Ex 150.07(BP est) -52.38(MP est) ----(BP exp) ----(MP exp) SCCSC -52.4PredN
CSCSC5121108.217C3H8S2bis(methylthio)methaneN135CSCSCInChI=1S/C3H8S2/c1-4-3-5-2/h3H2,1-2H3InChIKey=LOCDPORVFVOGCR-UHFFFAOYSA-N148.1Ex 136.67(BP est) -57.32(MP est) 148.00(BP exp) ----(MP exp) CSCSC -57.3PredY(Wilkins 1996, Irwin et al. 2012)
SC(C)CS5122108.217C3H8S2propane-1,2-dithiolN135SC(C)CSInChI=1S/C3H8S2/c1-3(5)2-4/h3-5H,2H2,1H3InChIKey=YGKHJWTVMIMEPQ-UHFFFAOYSA-N152.0Ex 150.01(BP est) -58.87(MP est) 152.00(BP exp) ----(MP exp) SC(C)CS -58.9PredN
SCCCS5123108.217C3H8S2propane-1,3-dithiolN135SCCCSInChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2InChIKey=ZJLMKPKYJBQJNH-UHFFFAOYSA-N172.9Ex 163.14(BP est) -47.54(MP est) 172.90(BP exp) -79.00(MP exp) SCCCS -79ExptN
O=PC(Cl)=C5125108.461C2H2ClOP(1-chlorovinyl)(oxo)phosphaneN75O=PC(Cl)=CInChI=1S/C2H2ClOP/c1-2(3)5-4/h1H2InChIKey=KCEMNDQCXBIZAV-UHFFFAOYSA-N112.2Ex 112.19(BP est) -64.22(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=C -64.2PredN
O=PC=CCl5126108.461C2H2ClOP(2-chlorovinyl)(oxo)phosphaneN75O=PC=CClInChI=1S/C2H2ClOP/c3-1-2-5-4/h1-2HInChIKey=DGLQNYWUOYVLSS-UHFFFAOYSA-N127.4Ex 127.44(BP est) -54.45(MP est) ----(BP exp) ----(MP exp) O=PC=CCl -54.5PredN
OC(Cl)(F)(C#C)5128108.496C3H2ClFO1-chloro-1-fluoroprop-2-yn-1-olN86OC(Cl)(F)(C#C)InChI=1S/C3H2ClFO/c1-2-3(4,5)6/h1,6HInChIKey=KCLCVLLJSHWCRL-UHFFFAOYSA-N96.0Ex 95.98(BP est) -33.25(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(C#C) -33.3PredN
OC(Cl)(C#CF)5129108.496C3H2ClFO1-chloro-3-fluoroprop-2-yn-1-olN86OC(Cl)(C#CF)InChI=1S/C3H2ClFO/c4-3(6)1-2-5/h3,6HInChIKey=QKMYLXMDGZZXJM-UHFFFAOYSA-N137.6Ex 137.60(BP est) -0.24(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C#CF) -0.2PredN
ClC(F)C1=CO15130108.496C3H2ClFO2-(chlorofluoromethyl)oxireneN86ClC(F)C1=CO1InChI=1S/C3H2ClFO/c4-3(5)2-1-6-2/h1,3HInChIKey=VZRXNIFHSWGOJH-UHFFFAOYSA-N81.6Ex 81.57(BP est) -69.04(MP est) ----(BP exp) ----(MP exp) ClC(F)C1=CO1 -69PredN
FC(O1)=C1CCl5131108.496C3H2ClFO2-(chloromethyl)-3-fluorooxireneN86FC(O1)=C1CClInChI=1S/C3H2ClFO/c4-1-2-3(5)6-2/h1H2InChIKey=GLAATGBBVDRTBZ-UHFFFAOYSA-N107.3Ex 107.32(BP est) -47.77(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1CCl -47.8PredN
ClC(O1)=C1CF5132108.496C3H2ClFO2-chloro-3-(fluoromethyl)oxireneN86ClC(O1)=C1CFInChI=1S/C3H2ClFO/c4-3-2(1-5)6-3/h1H2InChIKey=YKRJXBWQZZKDEJ-UHFFFAOYSA-N78.7Ex 78.69(BP est) -56.12(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1CF -56.1PredN
C(=O)C(Cl)=C(F)5133108.496C3H2ClFO2-chloro-3-fluoroacrylaldehydeN86C(=O)C(Cl)=C(F)InChI=1S/C3H2ClFO/c4-3(1-5)2-6/h1-2HInChIKey=YQKNMHDRZKYAQX-UHFFFAOYSA-N100.2Ex 100.20(BP est) -75.64(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)=C(F) -75.6PredN
OC(F)(C#CCl)5134108.496C3H2ClFO3-chloro-1-fluoroprop-2-yn-1-olN86OC(F)(C#CCl)InChI=1S/C3H2ClFO/c4-2-1-3(5)6/h3,6HInChIKey=FAIMCFCMIGIGCB-UHFFFAOYSA-N123.1Ex 123.13(BP est) -4.46(MP est) ----(BP exp) ----(MP exp) OC(F)(C#CCl) -4.5PredN
C(=O)C(F)=C(Cl)5135108.496C3H2ClFO3-chloro-2-fluoroacrylaldehydeN86C(=O)C(F)=C(Cl)InChI=1S/C3H2ClFO/c4-1-3(5)2-6/h1-2HInChIKey=CDMDFKJVODQKPJ-UHFFFAOYSA-N100.2Ex 100.20(BP est) -75.64(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)=C(Cl) -75.6PredN
C(=O)C=C(Cl)(F)5136108.496C3H2ClFO3-chloro-3-fluoroacrylaldehydeN86C(=O)C=C(Cl)(F)InChI=1S/C3H2ClFO/c4-3(5)1-2-6/h1-2HInChIKey=CKHJJLYTSBSBSL-UHFFFAOYSA-N100.2Ex 100.20(BP est) -75.64(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(Cl)(F) -75.6PredN
ClC(P)C=C5137108.505C3H6ClP(1-chloroallyl)phosphaneN115ClC(P)C=CInChI=1S/C3H6ClP/c1-2-3(4)5/h2-3H,1,5H2InChIKey=YEMPHBMCARLASU-UHFFFAOYSA-N95.9Ex 95.87(BP est) -81.37(MP est) ----(BP exp) ----(MP exp) ClC(P)C=C -81.4PredN
ClC1(P)CC15138108.505C3H6ClP(1-chlorocyclopropyl)phosphaneN115ClC1(P)CC1InChI=1S/C3H6ClP/c4-3(5)1-2-3/h1-2,5H2InChIKey=ICDIFMVHMYDBCS-UHFFFAOYSA-N90.4Ex 90.42(BP est) -53.66(MP est) ----(BP exp) ----(MP exp) ClC1(P)CC1 -53.7PredN
CPC(Cl)=C5139108.505C3H6ClP(1-chlorovinyl)(methyl)phosphaneN115CPC(Cl)=CInChI=1S/C3H6ClP/c1-3(4)5-2/h5H,1H2,2H3InChIKey=RXPNIBIZQPTFDK-UHFFFAOYSA-N67.2Ex 67.15(BP est) -97.42(MP est) ----(BP exp) ----(MP exp) CPC(Cl)=C -97.4PredN
ClC(CP)=C5140108.505C3H6ClP(2-chloroallyl)phosphaneN115ClC(CP)=CInChI=1S/C3H6ClP/c1-3(4)2-5/h1-2,5H2InChIKey=OQCSSJDXYGGBKV-UHFFFAOYSA-N88.5Ex 88.50(BP est) -83.00(MP est) ----(BP exp) ----(MP exp) ClC(CP)=C -83PredN
ClC1C(P)C15141108.505C3H6ClP(2-chlorocyclopropyl)phosphaneN115ClC1C(P)C1InChI=1S/C3H6ClP/c4-2-1-3(2)5/h2-3H,1,5H2InChIKey=JCDCFQRHEPGZFF-UHFFFAOYSA-N109.2Ex 109.21(BP est) -62.25(MP est) ----(BP exp) ----(MP exp) ClC1C(P)C1 -62.3PredN
CPC=CCl5142108.505C3H6ClP(2-chlorovinyl)(methyl)phosphaneN115CPC=CClInChI=1S/C3H6ClP/c1-5-3-2-4/h2-3,5H,1H3InChIKey=GQNYPOBQQQYMOR-UHFFFAOYSA-N83.5Ex 83.50(BP est) -87.33(MP est) ----(BP exp) ----(MP exp) CPC=CCl -87.3PredN
ClC=CCP5143108.505C3H6ClP(3-chloroallyl)phosphaneN115ClC=CCPInChI=1S/C3H6ClP/c4-2-1-3-5/h1-2H,3,5H2InChIKey=KBIQUNULNDNZNI-UHFFFAOYSA-N104.3Ex 104.34(BP est) -73.06(MP est) ----(BP exp) ----(MP exp) ClC=CCP -73.1PredN
ClCPC=C5144108.505C3H6ClP(chloromethyl)(vinyl)phosphaneN115ClCPC=CInChI=1S/C3H6ClP/c1-2-5-3-4/h2,5H,1,3H2InChIKey=ZPUOXLBFEZHJCT-UHFFFAOYSA-N102.8Ex 102.83(BP est) -80.03(MP est) ----(BP exp) ----(MP exp) ClCPC=C -80PredN
ClCP1CC15145108.505C3H6ClP1-(chloromethyl)phosphiraneN115ClCP1CC1InChI=1S/C3H6ClP/c4-3-5-1-2-5/h1-3H2InChIKey=AGGZHQPCPTXRTK-UHFFFAOYSA-N114.3Ex 114.28(BP est) -63.64(MP est) ----(BP exp) ----(MP exp) ClCP1CC1 -63.6PredN
CP1C(Cl)C15146108.505C3H6ClP2-chloro-1-methylphosphiraneN115CP1C(Cl)C1InChI=1S/C3H6ClP/c1-5-2-3(5)4/h3H,2H2,1H3InChIKey=RLIBZIOWNQSFQT-UHFFFAOYSA-N94.3Ex 94.34(BP est) -71.58(MP est) ----(BP exp) ----(MP exp) CP1C(Cl)C1 -71.6PredN
ClC1CCP15147108.505C3H6ClP2-chlorophosphetaneN115ClC1CCP1InChI=1S/C3H6ClP/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=IMQKBMRQFNMCRQ-UHFFFAOYSA-N95.6Ex 95.59(BP est) -72.29(MP est) ----(BP exp) ----(MP exp) ClC1CCP1 -72.3PredN
ClC1CPC15148108.505C3H6ClP3-chlorophosphetaneN115ClC1CPC1InChI=1S/C3H6ClP/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=ZOGLVMOAZCPDCL-UHFFFAOYSA-N95.6Ex 95.59(BP est) -72.29(MP est) ----(BP exp) ----(MP exp) ClC1CPC1 -72.3PredN
OC(=O)C(Cl)(C)5149108.521C3H5ClO22-chloropropanoic acidN116OC(=O)C(Cl)(C)InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)InChIKey=GAWAYYRQGQZKCR-UHFFFAOYSA-N173.3Ex 178.03(BP est) 8.11(MP est) 185.00(BP exp) ----(MP exp) OC(=O)C(Cl)(C) 8.1PredN
OC(CCCl)=O5150108.521C3H5ClO23-chloropropanoic acidN116OC(CCCl)=OInChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)InChIKey=QEYMMOKECZBKAC-UHFFFAOYSA-N202.0Ex 201.42(BP est) 22.44(MP est) 156.00(BP exp) 41.00(MP exp) OC(CCCl)=O 41ExptN
ClCOC(C)=O5151108.521C3H5ClO2chloromethyl acetateN116ClCOC(C)=OInChI=1S/C3H5ClO2/c1-3(5)6-2-4/h2H2,1H3InChIKey=SMJYMSAPPGLBAR-UHFFFAOYSA-N95.5Ex 118.34(BP est) -60.95(MP est) 116.00(BP exp) ----(MP exp) ClCOC(C)=O -61PredN
COC(CCl)=O5152108.521C3H5ClO2methyl 2-chloroacetateN116COC(CCl)=OInChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3InChIKey=QABLOFMHHSOFRJ-UHFFFAOYSA-N129.9Ex 118.34(BP est) -60.95(MP est) 129.50(BP exp) -32.10(MP exp) COC(CCl)=O -32.1ExptN
NC(NCCl)=O5153108.525C2H5ClN2O1-(chloromethyl)ureaN116NC(NCCl)=OInChI=1S/C2H5ClN2O/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=HVABYIJGGXCBPM-UHFFFAOYSA-N230.2Ex 230.18(BP est) 41.60(MP est) ----(BP exp) ----(MP exp) NC(NCCl)=O 41.6PredN
C(C(Cl)F)(C1)(C1)5154108.54C4H6ClF(chlorofluoromethyl)cyclopropaneN126C(C(Cl)F)(C1)(C1)InChI=1S/C4H6ClF/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=ZHTSOOGMIDFVOO-UHFFFAOYSA-N66.4Ex 66.44(BP est) -89.87(MP est) ----(BP exp) ----(MP exp) C(C(Cl)F)(C1)(C1) -89.9PredN
C(F)(CCl)(C1)(C1)5155108.54C4H6ClF1-(chloromethyl)-1-fluorocyclopropaneN126C(F)(CCl)(C1)(C1)InChI=1S/C4H6ClF/c5-3-4(6)1-2-4/h1-3H2InChIKey=LJIYNTJYTWBWPX-UHFFFAOYSA-N82.0Ex 81.95(BP est) -65.89(MP est) ----(BP exp) ----(MP exp) C(F)(CCl)(C1)(C1) -65.9PredN
C(CCl)(C1)(C1F)5156108.54C4H6ClF1-(chloromethyl)-2-fluorocyclopropaneN126C(CCl)(C1)(C1F)InChI=1S/C4H6ClF/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=AJCXYMLZNZZNLG-UHFFFAOYSA-N87.8Ex 87.80(BP est) -78.25(MP est) ----(BP exp) ----(MP exp) C(CCl)(C1)(C1F) -78.3PredN
C(Cl)(CF)(C1)(C1)5157108.54C4H6ClF1-chloro-1-(fluoromethyl)cyclopropaneN126C(Cl)(CF)(C1)(C1)InChI=1S/C4H6ClF/c5-4(3-6)1-2-4/h1-3H2InChIKey=WWUSTUHHQBQWJM-UHFFFAOYSA-N54.5Ex 54.50(BP est) -73.91(MP est) ----(BP exp) ----(MP exp) C(Cl)(CF)(C1)(C1) -73.9PredN
C(C)(C1)(C1(Cl)F)5158108.54C4H6ClF1-chloro-1-fluoro-2-methylcyclopropaneN126C(C)(C1)(C1(Cl)F)InChI=1S/C4H6ClF/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=HUQPAZBIVXDEAP-UHFFFAOYSA-N47.0Ex 47.02(BP est) -78.21(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C1(Cl)F) -78.2PredN
C(Cl)(F)=C(C)(C)5159108.54C4H6ClF1-chloro-1-fluoro-2-methylprop-1-eneN126C(Cl)(F)=C(C)(C)InChI=1S/C4H6ClF/c1-3(2)4(5)6/h1-2H3InChIKey=ATUBEBIFFRXFRV-UHFFFAOYSA-N55.3Ex 55.29(BP est) -111.09(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(C)(C) -111.1PredN
C(CC=C(Cl)F)5160108.54C4H6ClF1-chloro-1-fluorobut-1-eneN126C(CC=C(Cl)F)InChI=1S/C4H6ClF/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=KQBWUCNIYWMKEK-UHFFFAOYSA-N54.4Ex 62.26(BP est) -102.08(MP est) ----(BP exp) ----(MP exp) C(CC=C(Cl)F) -102.1PredN
C(C)=C(C(Cl)F)5161108.54C4H6ClF1-chloro-1-fluorobut-2-eneN126C(C)=C(C(Cl)F)InChI=1S/C4H6ClF/c1-2-3-4(5)6/h2-4H,1H3InChIKey=CJHUXOHANJGGAW-UHFFFAOYSA-N69.9Ex 69.92(BP est) -100.36(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(Cl)F) -100.4PredN
C(C1)(CC1(Cl)F)5162108.54C4H6ClF1-chloro-1-fluorocyclobutaneN126C(C1)(CC1(Cl)F)InChI=1S/C4H6ClF/c5-4(6)2-1-3-4/h1-3H2InChIKey=JEKSYLNKTQNPOC-UHFFFAOYSA-N56.9Ex 56.85(BP est) -74.98(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1(Cl)F) -75PredN
C(CF)(C1)(C1Cl)5163108.54C4H6ClF1-chloro-2-(fluoromethyl)cyclopropaneN126C(CF)(C1)(C1Cl)InChI=1S/C4H6ClF/c5-4-1-3(4)2-6/h3-4H,1-2H2InChIKey=MEEPMFVVUHYTGB-UHFFFAOYSA-N74.3Ex 74.30(BP est) -82.19(MP est) ----(BP exp) ----(MP exp) C(CF)(C1)(C1Cl) -82.2PredN
C(Cl)(C)(C1)(C1F)5164108.54C4H6ClF1-chloro-2-fluoro-1-methylcyclopropaneN126C(Cl)(C)(C1)(C1F)InChI=1S/C4H6ClF/c1-4(5)2-3(4)6/h3H,2H2,1H3InChIKey=ZONLWMMAKOZIOM-UHFFFAOYSA-N47.0Ex 47.02(BP est) -78.21(MP est) ----(BP exp) ----(MP exp) C(Cl)(C)(C1)(C1F) -78.2PredN
C(C)(C1Cl)(C1F)5165108.54C4H6ClF1-chloro-2-fluoro-3-methylcyclopropaneN126C(C)(C1Cl)(C1F)InChI=1S/C4H6ClF/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=YTZGOVLXLBQGFH-UHFFFAOYSA-N67.0Ex 67.03(BP est) -86.44(MP est) ----(BP exp) ----(MP exp) C(C)(C1Cl)(C1F) -86.4PredN
C(CC(F)=CCl)5166108.54C4H6ClF1-chloro-2-fluorobut-1-eneN126C(CC(F)=CCl)InChI=1S/C4H6ClF/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=RNSSKCFDVSPUOU-UHFFFAOYSA-N62.3Ex 62.26(BP est) -102.08(MP est) ----(BP exp) ----(MP exp) C(CC(F)=CCl) -102.1PredN
C(C)=C(F)(CCl)5167108.54C4H6ClF1-chloro-2-fluorobut-2-eneN126C(C)=C(F)(CCl)InChI=1S/C4H6ClF/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=DWQXLNQQOMTVNA-UHFFFAOYSA-N91.6Ex 91.58(BP est) -93.52(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(CCl) -93.5PredN
C(C1)(C(Cl)C1F)5168108.54C4H6ClF1-chloro-2-fluorocyclobutaneN126C(C1)(C(Cl)C1F)InChI=1S/C4H6ClF/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=AVOHEKMNXOHKKI-UHFFFAOYSA-N76.6Ex 76.59(BP est) -83.29(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Cl)C1F) -83.3PredN
C(Cl)=C(C)(CF)5169108.54C4H6ClF1-chloro-3-fluoro-2-methylprop-1-eneN126C(Cl)=C(C)(CF)InChI=1S/C4H6ClF/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=BYRWQFQHUWEBGH-UHFFFAOYSA-N62.3Ex 62.26(BP est) -102.08(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C)(CF) -102.1PredN
C(C(F)C=CCl)5170108.54C4H6ClF1-chloro-3-fluorobut-1-eneN126C(C(F)C=CCl)InChI=1S/C4H6ClF/c1-4(6)2-3-5/h2-4H,1H3InChIKey=AVJUIEYDVDKSOB-UHFFFAOYSA-N53.8Ex 53.83(BP est) -105.06(MP est) ----(BP exp) ----(MP exp) C(C(F)C=CCl) -105.1PredN
C(CCl)=C(F)(C)5171108.54C4H6ClF1-chloro-3-fluorobut-2-eneN126C(CCl)=C(F)(C)InChI=1S/C4H6ClF/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=CVLVZXYSVSBLFP-UHFFFAOYSA-N91.6Ex 91.58(BP est) -93.52(MP est) ----(BP exp) ----(MP exp) C(CCl)=C(F)(C) -93.5PredN
C(C1Cl)(C(F)C1)5172108.54C4H6ClF1-chloro-3-fluorocyclobutaneN126C(C1Cl)(C(F)C1)InChI=1S/C4H6ClF/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=ISJXTUPGLMCONU-UHFFFAOYSA-N76.6Ex 76.59(BP est) -83.29(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C(F)C1) -83.3PredN
C(F)(CC=CCl)5173108.54C4H6ClF1-chloro-4-fluorobut-1-eneN126C(F)(CC=CCl)InChI=1S/C4H6ClF/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=KBOZTFSWDIQBHY-UHFFFAOYSA-N69.2Ex 69.16(BP est) -93.08(MP est) ----(BP exp) ----(MP exp) C(F)(CC=CCl) -93.1PredN
C(CCl)=C(CF)5174108.54C4H6ClF1-chloro-4-fluorobut-2-eneN126C(CCl)=C(CF)InChI=1S/C4H6ClF/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=NOGAZGUQYRRVNB-UHFFFAOYSA-N98.2Ex 98.19(BP est) -84.61(MP est) ----(BP exp) ----(MP exp) C(CCl)=C(CF) -84.6PredN
C(F)(C)(C1)(C1Cl)5175108.54C4H6ClF2-chloro-1-fluoro-1-methylcyclopropaneN126C(F)(C)(C1)(C1Cl)InChI=1S/C4H6ClF/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=YBWMOEZBBKDTLO-UHFFFAOYSA-N61.0Ex 61.00(BP est) -74.13(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C1)(C1Cl) -74.1PredN
C(CC(Cl)=CF)5176108.54C4H6ClF2-chloro-1-fluorobut-1-eneN126C(CC(Cl)=CF)InChI=1S/C4H6ClF/c1-2-4(5)3-6/h3H,2H2,1H3InChIKey=VWDUUPGUUWJARJ-UHFFFAOYSA-N62.3Ex 62.26(BP est) -102.08(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)=CF) -102.1PredN
C(C)=C(Cl)(CF)5177108.54C4H6ClF2-chloro-1-fluorobut-2-eneN126C(C)=C(Cl)(CF)InChI=1S/C4H6ClF/c1-2-4(5)3-6/h2H,3H2,1H3InChIKey=TYFKOKYVFFRTFF-UHFFFAOYSA-N62.3Ex 62.26(BP est) -102.08(MP est) ----(BP exp) ----(MP exp) C(C)=C(Cl)(CF) -102.1PredN
C(C(F)C(Cl)=C)5179108.54C4H6ClF2-chloro-3-fluorobut-1-eneN126C(C(F)C(Cl)=C)InChI=1S/C4H6ClF/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=COIIYSHDVOHUMR-UHFFFAOYSA-N36.8Ex 36.78(BP est) -115.36(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Cl)=C) -115.4PredN
C(Cl)(C)=C(F)(C)5180108.54C4H6ClF2-chloro-3-fluorobut-2-eneN126C(Cl)(C)=C(F)(C)InChI=1S/C4H6ClF/c1-3(5)4(2)6/h1-2H3InChIKey=FBDWMWLJJGFWIP-UHFFFAOYSA-N55.3Ex 55.29(BP est) -111.09(MP est) ----(BP exp) ----(MP exp) C(Cl)(C)=C(F)(C) -111.1PredN
C(F)(CC(Cl)=C)5181108.54C4H6ClF2-chloro-4-fluorobut-1-eneN126C(F)(CC(Cl)=C)InChI=1S/C4H6ClF/c1-4(5)2-3-6/h1-3H2InChIKey=YVKAKBGMSYUQDZ-UHFFFAOYSA-N52.5Ex 52.47(BP est) -103.28(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Cl)=C) -103.3PredN
C(F)=C(C)(CCl)5182108.54C4H6ClF3-chloro-1-fluoro-2-methylprop-1-eneN126C(F)=C(C)(CCl)InChI=1S/C4H6ClF/c1-4(2-5)3-6/h3H,2H2,1H3InChIKey=JXOJXOKXMSQASP-UHFFFAOYSA-N91.6Ex 91.58(BP est) -93.52(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(CCl) -93.5PredN
C(C(Cl)C=CF)5183108.54C4H6ClF3-chloro-1-fluorobut-1-eneN126C(C(Cl)C=CF)InChI=1S/C4H6ClF/c1-4(5)2-3-6/h2-4H,1H3InChIKey=ZXAUDVFVQGVRKD-UHFFFAOYSA-N69.9Ex 69.92(BP est) -100.36(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C=CF) -100.4PredN
C(CF)=C(Cl)(C)5184108.54C4H6ClF3-chloro-1-fluorobut-2-eneN126C(CF)=C(Cl)(C)InChI=1S/C4H6ClF/c1-4(5)2-3-6/h2H,3H2,1H3InChIKey=DGDNQZZGSWFBEV-UHFFFAOYSA-N62.3Ex 62.26(BP est) -102.08(MP est) ----(BP exp) ----(MP exp) C(CF)=C(Cl)(C) -102.1PredN
C=C(CCl)(CF)5185108.54C4H6ClF3-chloro-2-(fluoromethyl)prop-1-eneN126C=C(CCl)(CF)InChI=1S/C4H6ClF/c1-4(2-5)3-6/h1-3H2InChIKey=LPVAUXPEOCMFRJ-UHFFFAOYSA-N82.2Ex 82.20(BP est) -94.60(MP est) ----(BP exp) ----(MP exp) C=C(CCl)(CF) -94.6PredN
C(C(Cl)C(F)=C)5186108.54C4H6ClF3-chloro-2-fluorobut-1-eneN126C(C(Cl)C(F)=C)InChI=1S/C4H6ClF/c1-3(5)4(2)6/h3H,2H2,1H3InChIKey=IFEZBLVXSBAPME-UHFFFAOYSA-N53.2Ex 53.24(BP est) -110.55(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(F)=C) -110.6PredN
C=C(C)(C(Cl)F)5187108.54C4H6ClF3-chloro-3-fluoro-2-methylprop-1-eneN126C=C(C)(C(Cl)F)InChI=1S/C4H6ClF/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=QNNOATDOGBXXLX-UHFFFAOYSA-N53.2Ex 53.24(BP est) -110.55(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(Cl)F) -110.6PredN
C(C(Cl)(F)C=C)5188108.54C4H6ClF3-chloro-3-fluorobut-1-eneN126C(C(Cl)(F)C=C)InChI=1S/C4H6ClF/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=GKCKOPVVEXDLNH-UHFFFAOYSA-N35.9Ex 35.87(BP est) -99.93(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(F)C=C) -99.9PredN
C(F)(C(Cl)C=C)5189108.54C4H6ClF3-chloro-4-fluorobut-1-eneN126C(F)(C(Cl)C=C)InChI=1S/C4H6ClF/c1-2-4(5)3-6/h2,4H,1,3H2InChIKey=IWYQLMCFZSKRLL-UHFFFAOYSA-N60.2Ex 60.23(BP est) -101.53(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)C=C) -101.5PredN
C(Cl)(CC=CF)5190108.54C4H6ClF4-chloro-1-fluorobut-1-eneN126C(Cl)(CC=CF)InChI=1S/C4H6ClF/c5-3-1-2-4-6/h2,4H,1,3H2InChIKey=SDLIRNQSXWUCPX-UHFFFAOYSA-N98.2Ex 98.19(BP est) -84.61(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC=CF) -84.6PredN
C(Cl)(CC(F)=C)5191108.54C4H6ClF4-chloro-2-fluorobut-1-eneN126C(Cl)(CC(F)=C)InChI=1S/C4H6ClF/c1-4(6)2-3-5/h1-3H2InChIKey=BDQXLYQZAWJJOJ-UHFFFAOYSA-N82.2Ex 82.20(BP est) -94.60(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(F)=C) -94.6PredN
C(Cl)(C(F)C=C)5192108.54C4H6ClF4-chloro-3-fluorobut-1-eneN126C(Cl)(C(F)C=C)InChI=1S/C4H6ClF/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=DMOWUCLLXTXPIV-UHFFFAOYSA-N74.0Ex 74.00(BP est) -97.51(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)C=C) -97.5PredN
C(Cl)(F)(CC=C)5193108.54C4H6ClF4-chloro-4-fluorobut-1-eneN126C(Cl)(F)(CC=C)InChI=1S/C4H6ClF/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=UHKMXCKTOSGZQD-UHFFFAOYSA-N60.2Ex 60.23(BP est) -101.53(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(CC=C) -101.5PredN
ClCOCCC5194108.565C4H9ClO1-(chloromethoxy)propaneN156ClCOCCCInChI=1S/C4H9ClO/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=VHUQXPJHMISKGS-UHFFFAOYSA-N110.2Ex 113.26(BP est) -66.85(MP est) ----(BP exp) ----(MP exp) ClCOCCC -66.9PredN
CCOC(C)Cl5195108.565C4H9ClO1-chloro-1-ethoxyethaneN156CCOC(C)ClInChI=1S/C4H9ClO/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=URGLIMIKUNFFMT-UHFFFAOYSA-N97.5Ex 85.64(BP est) -82.41(MP est) 93.50(BP exp) ----(MP exp) CCOC(C)Cl -82.4PredN
COC(CC)Cl5196108.565C4H9ClO1-chloro-1-methoxypropaneN156COC(CC)ClInChI=1S/C4H9ClO/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=YROGWJLGNLJNOK-UHFFFAOYSA-N85.6Ex 85.64(BP est) -82.41(MP est) ----(BP exp) ----(MP exp) COC(CC)Cl -82.4PredN
CCOCCCl5197108.565C4H9ClO1-chloro-2-ethoxyethaneN156CCOCCClInChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=GPTVQTPMFOLLOA-UHFFFAOYSA-N107.1Ex 113.26(BP est) -66.85(MP est) 107.50(BP exp) ----(MP exp) CCOCCCl -66.9PredN
COC(CCl)C5198108.565C4H9ClO1-chloro-2-methoxypropaneN156COC(CCl)CInChI=1S/C4H9ClO/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=YSZGJULIUWQDME-UHFFFAOYSA-N98.9Ex 98.92(BP est) -78.54(MP est) ----(BP exp) ----(MP exp) COC(CCl)C -78.5PredN
OC(C(C)C)Cl5199108.565C4H9ClO1-chloro-2-methylpropan-1-olN156OC(C(C)C)ClInChI=1S/C4H9ClO/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=AOJDYHPMTWFQDA-UHFFFAOYSA-N127.9Ex 127.93(BP est) -58.27(MP est) ----(BP exp) ----(MP exp) OC(C(C)C)Cl -58.3PredN
OC(C)(CCl)C5200108.565C4H9ClO1-chloro-2-methylpropan-2-olN156OC(C)(CCl)CInChI=1S/C4H9ClO/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=JNOZGFXJZQXOSU-UHFFFAOYSA-N126.8Ex 134.44(BP est) -40.16(MP est) 128.50(BP exp) -20.00(MP exp) OC(C)(CCl)C -20ExptN
COCCCCl5201108.565C4H9ClO1-chloro-3-methoxypropaneN156COCCCClInChI=1S/C4H9ClO/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=BQLHMMQUVJCTAN-UHFFFAOYSA-N111.0Ex 113.26(BP est) -66.85(MP est) 111.00(BP exp) ----(MP exp) COCCCCl -66.9PredN
OC(CCC)Cl5202108.565C4H9ClO1-chlorobutan-1-olN156OC(CCC)ClInChI=1S/C4H9ClO/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=LVZIWKFQFKNSMO-UHFFFAOYSA-N141.6Ex 141.60(BP est) -46.78(MP est) ----(BP exp) ----(MP exp) OC(CCC)Cl -46.8PredN
OC(CC)CCl5203108.565C4H9ClO1-chlorobutan-2-olN156OC(CC)CClInChI=1S/C4H9ClO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=VNBFUGOVQMFIRN-UHFFFAOYSA-N141.0Ex 153.69(BP est) -43.25(MP est) 141.00(BP exp) ----(MP exp) OC(CC)CCl -43.3PredN
ClCOC(C)C5204108.565C4H9ClO2-(chloromethoxy)propaneN156ClCOC(C)CInChI=1S/C4H9ClO/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=GSGPUGZLDGHFDO-UHFFFAOYSA-N101.3Ex 98.92(BP est) -78.54(MP est) ----(BP exp) ----(MP exp) ClCOC(C)C -78.5PredN
COCC(C)Cl5205108.565C4H9ClO2-chloro-1-methoxypropaneN156COCC(C)ClInChI=1S/C4H9ClO/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=SIBFNWWZWOVJJH-UHFFFAOYSA-N98.5Ex 85.64(BP est) -82.41(MP est) 99.00(BP exp) ----(MP exp) COCC(C)Cl -82.4PredN
COC(C)(C)Cl5206108.565C4H9ClO2-chloro-2-methoxypropaneN156COC(C)(C)ClInChI=1S/C4H9ClO/c1-4(2,5)6-3/h1-3H3InChIKey=UIDDHBVQWPHZHF-UHFFFAOYSA-N62.1Ex 62.14(BP est) -80.56(MP est) ----(BP exp) ----(MP exp) COC(C)(C)Cl -80.6PredN
OCC(C)(C)Cl5207108.565C4H9ClO2-chloro-2-methylpropan-1-olN156OCC(C)(C)ClInChI=1S/C4H9ClO/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=LGGQZLUXBPHXTB-UHFFFAOYSA-N133.5Ex 127.60(BP est) -42.16(MP est) ----(BP exp) ----(MP exp) OCC(C)(C)Cl -42.2PredN
OCC(CC)Cl5208108.565C4H9ClO2-chlorobutan-1-olN156OCC(CC)ClInChI=1S/C4H9ClO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=FTOKYBLHOYVORA-UHFFFAOYSA-N148.8Ex 148.80(BP est) -44.68(MP est) ----(BP exp) ----(MP exp) OCC(CC)Cl -44.7PredN
OC(C)(CC)Cl5209108.565C4H9ClO2-chlorobutan-2-olN156OC(C)(CC)ClInChI=1S/C4H9ClO/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=UDZGHTHYVWDFFY-UHFFFAOYSA-N109.2Ex 109.17(BP est) -47.54(MP est) ----(BP exp) ----(MP exp) OC(C)(CC)Cl -47.5PredN
OCC(C)(CCl)5210108.565C4H9ClO3-chloro-2-methylpropan-1-olN156OCC(C)(CCl)InChI=1S/C4H9ClO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=NQULNQFAEYXUJJ-UHFFFAOYSA-N160.7Ex 160.73(BP est) -41.20(MP est) ----(BP exp) ----(MP exp) OCC(C)(CCl) -41.2PredN
OCCC(C)Cl5211108.565C4H9ClO3-chlorobutan-1-olN156OCCC(C)ClInChI=1S/C4H9ClO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=UTBUFLARLRSVFF-UHFFFAOYSA-N148.8Ex 148.80(BP est) -44.68(MP est) ----(BP exp) ----(MP exp) OCCC(C)Cl -44.7PredN
OC(C(C)Cl)C5212108.565C4H9ClO3-chlorobutan-2-olN156OC(C(C)Cl)CInChI=1S/C4H9ClO/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=XKEHIUIIEXXHJX-UHFFFAOYSA-N139.0Ex 127.93(BP est) -58.27(MP est) 139.00(BP exp) ----(MP exp) OC(C(C)Cl)C -58.3PredN
OC(CCCCl)5213108.565C4H9ClO4-chlorobutan-1-olN156OC(CCCCl)InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2InChIKey=HXHGULXINZUGJX-UHFFFAOYSA-N167.0Ex 173.60(BP est) -29.94(MP est) ----(BP exp) ----(MP exp) OC(CCCCl) -29.9PredN
OC(CCCl)C5214108.565C4H9ClO4-chlorobutan-2-olN156OC(CCCl)CInChI=1S/C4H9ClO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=AKMIPCJUTXDZKR-UHFFFAOYSA-N153.7Ex 153.69(BP est) -43.25(MP est) ----(BP exp) ----(MP exp) OC(CCCl)C -43.3PredN
NNC(CCl)C5215108.569C3H9ClN2(1-chloropropan-2-yl)hydrazineN156NNC(CCl)CInChI=1S/C3H9ClN2/c1-3(2-4)6-5/h3,6H,2,5H2,1H3InChIKey=DBWSPOJEXWQKEC-UHFFFAOYSA-N155.9Ex 155.87(BP est) -10.70(MP est) ----(BP exp) ----(MP exp) NNC(CCl)C -10.7PredN
NNC(CC)Cl5216108.569C3H9ClN2(1-chloropropyl)hydrazineN156NNC(CC)ClInChI=1S/C3H9ClN2/c1-2-3(4)6-5/h3,6H,2,5H2,1H3InChIKey=LPIJBOPDZDUFCW-UHFFFAOYSA-N143.8Ex 143.82(BP est) -14.22(MP est) ----(BP exp) ----(MP exp) NNC(CC)Cl -14.2PredN
NNC(C)(C)Cl5217108.569C3H9ClN2(2-chloropropan-2-yl)hydrazineN156NNC(C)(C)ClInChI=1S/C3H9ClN2/c1-3(2,4)6-5/h6H,5H2,1-2H3InChIKey=QCLDXPJFTMZENJ-UHFFFAOYSA-N122.4Ex 122.43(BP est) -11.75(MP est) ----(BP exp) ----(MP exp) NNC(C)(C)Cl -11.8PredN
NNCC(C)Cl5218108.569C3H9ClN2(2-chloropropyl)hydrazineN156NNCC(C)ClInChI=1S/C3H9ClN2/c1-3(4)2-6-5/h3,6H,2,5H2,1H3InChIKey=WYZHSILKXMJMSM-UHFFFAOYSA-N143.8Ex 143.82(BP est) -14.22(MP est) ----(BP exp) ----(MP exp) NNCC(C)Cl -14.2PredN
NNC(CCCl)5219108.569C3H9ClN2(3-chloropropyl)hydrazineN156NNC(CCCl)InChI=1S/C3H9ClN2/c4-2-1-3-6-5/h6H,1-3,5H2InChIKey=CKIAIELAFUJEHH-UHFFFAOYSA-N168.9Ex 168.86(BP est) 0.59(MP est) ----(BP exp) ----(MP exp) NNC(CCCl) 0.6PredN
CN(N)C(C)Cl5220108.569C3H9ClN21-(1-chloroethyl)-1-methylhydrazineN156CN(N)C(C)ClInChI=1S/C3H9ClN2/c1-3(4)6(2)5/h3H,5H2,1-2H3InChIKey=TVUCZXMMFTUQPB-UHFFFAOYSA-N123.4Ex 123.43(BP est) -30.27(MP est) ----(BP exp) ----(MP exp) CN(N)C(C)Cl -30.3PredN
CNNC(C)Cl5221108.569C3H9ClN21-(1-chloroethyl)-2-methylhydrazineN156CNNC(C)ClInChI=1S/C3H9ClN2/c1-3(4)6-5-2/h3,5-6H,1-2H3InChIKey=NNWMQCSKPBJFOI-UHFFFAOYSA-N126.1Ex 126.10(BP est) -34.69(MP est) ----(BP exp) ----(MP exp) CNNC(C)Cl -34.7PredN
CN(N)CCCl5222108.569C3H9ClN21-(2-chloroethyl)-1-methylhydrazineN156CN(N)CCClInChI=1S/C3H9ClN2/c1-6(5)3-2-4/h2-3,5H2,1H3InChIKey=ULKYLKFZRKNVBL-UHFFFAOYSA-N149.4Ex 149.40(BP est) -15.18(MP est) ----(BP exp) ----(MP exp) CN(N)CCCl -15.2PredN
CNNCCCl5223108.569C3H9ClN21-(2-chloroethyl)-2-methylhydrazineN156CNNCCClInChI=1S/C3H9ClN2/c1-5-6-3-2-4/h5-6H,2-3H2,1H3InChIKey=VATWWPXJGLAOSW-UHFFFAOYSA-N152.0Ex 151.95(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) CNNCCCl -19.7PredN
CN(NC)CCl5224108.569C3H9ClN21-(chloromethyl)-1,2-dimethylhydrazineN156CN(NC)CClInChI=1S/C3H9ClN2/c1-5-6(2)3-4/h5H,3H2,1-2H3InChIKey=ZAFHDCRWPIHTJY-UHFFFAOYSA-N131.9Ex 131.85(BP est) -35.61(MP est) ----(BP exp) ----(MP exp) CN(NC)CCl -35.6PredN
ClCN(N)CC5225108.569C3H9ClN21-(chloromethyl)-1-ethylhydrazineN156ClCN(N)CCInChI=1S/C3H9ClN2/c1-2-6(5)3-4/h2-3,5H2,1H3InChIKey=IEJACFWGPKPMRJ-UHFFFAOYSA-N149.4Ex 149.40(BP est) -15.18(MP est) ----(BP exp) ----(MP exp) ClCN(N)CC -15.2PredN
ClCNNCC5226108.569C3H9ClN21-(chloromethyl)-2-ethylhydrazineN156ClCNNCCInChI=1S/C3H9ClN2/c1-2-5-6-3-4/h5-6H,2-3H2,1H3InChIKey=AOKZZJSPPUAOLU-UHFFFAOYSA-N152.0Ex 151.95(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) ClCNNCC -19.7PredN
CN(NCCl)C5227108.569C3H9ClN22-(chloromethyl)-1,1-dimethylhydrazineN156CN(NCCl)CInChI=1S/C3H9ClN2/c1-6(2)5-3-4/h5H,3H2,1-2H3InChIKey=RQWUXOZNOZPOSP-UHFFFAOYSA-N131.9Ex 131.85(BP est) -35.61(MP est) ----(BP exp) ----(MP exp) CN(NCCl)C -35.6PredN
CSC(Cl)=C5228108.583C3H5ClS(1-chlorovinyl)(methyl)sulfaneN105CSC(Cl)=CInChI=1S/C3H5ClS/c1-3(4)5-2/h1H2,2H3InChIKey=JFNSUHOAEYNPAT-UHFFFAOYSA-N96.6Ex 96.60(BP est) -79.12(MP est) ----(BP exp) ----(MP exp) CSC(Cl)=C -79.1PredN
CSC=CCl5229108.583C3H5ClS(2-chlorovinyl)(methyl)sulfaneN105CSC=CClInChI=1S/C3H5ClS/c1-5-3-2-4/h2-3H,1H3InChIKey=KSAYYBJYYASIJR-UHFFFAOYSA-N112.2Ex 112.24(BP est) -69.24(MP est) ----(BP exp) ----(MP exp) CSC=CCl -69.2PredN
ClCSC=C5230108.583C3H5ClS(chloromethyl)(vinyl)sulfaneN105ClCSC=CInChI=1S/C3H5ClS/c1-2-5-3-4/h2H,1,3H2InChIKey=UOVYQIFRGJEPCS-UHFFFAOYSA-N130.7Ex 130.71(BP est) -62.19(MP est) ----(BP exp) ----(MP exp) ClCSC=C -62.2PredN
SC1(CC1)Cl5231108.583C3H5ClS1-chlorocyclopropane-1-thiolN105SC1(CC1)ClInChI=1S/C3H5ClS/c4-3(5)1-2-3/h5H,1-2H2InChIKey=OGCFFCCAPVXCTA-UHFFFAOYSA-N112.8Ex 112.78(BP est) -44.59(MP est) ----(BP exp) ----(MP exp) SC1(CC1)Cl -44.6PredN
SC(C=C)Cl5232108.583C3H5ClS1-chloroprop-2-ene-1-thiolN105SC(C=C)ClInChI=1S/C3H5ClS/c1-2-3(4)5/h2-3,5H,1H2InChIKey=XXUDPAGMSANZQR-UHFFFAOYSA-N118.0Ex 118.04(BP est) -72.35(MP est) ----(BP exp) ----(MP exp) SC(C=C)Cl -72.4PredN
ClCC1CS15233108.583C3H5ClS2-(chloromethyl)thiiraneN105ClCC1CS1InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2InChIKey=XRWMHJJHPQTTLQ-UHFFFAOYSA-N138.5Ex 133.80(BP est) -29.91(MP est) ----(BP exp) ----(MP exp) ClCC1CS1 -29.9PredN
ClC1(C)CS15234108.583C3H5ClS2-chloro-2-methylthiiraneN105ClC1(C)CS1InChI=1S/C3H5ClS/c1-3(4)2-5-3/h2H2,1H3InChIKey=FTDHOPINUJQRAQ-UHFFFAOYSA-N95.9Ex 95.87(BP est) -29.03(MP est) ----(BP exp) ----(MP exp) ClC1(C)CS1 -29PredN
ClC1C(C)S15235108.583C3H5ClS2-chloro-3-methylthiiraneN105ClC1C(C)S1InChI=1S/C3H5ClS/c1-2-3(4)5-2/h2-3H,1H3InChIKey=KHVUYMUYVTVVNE-UHFFFAOYSA-N114.5Ex 114.50(BP est) -37.66(MP est) ----(BP exp) ----(MP exp) ClC1C(C)S1 -37.7PredN
SC1CC1Cl5236108.583C3H5ClS2-chlorocyclopropane-1-thiolN105SC1CC1ClInChI=1S/C3H5ClS/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=VHSXRGJPKGSULF-UHFFFAOYSA-N130.9Ex 130.91(BP est) -53.37(MP est) ----(BP exp) ----(MP exp) SC1CC1Cl -53.4PredN
SCC(Cl)=C5237108.583C3H5ClS2-chloroprop-2-ene-1-thiolN105SCC(Cl)=CInChI=1S/C3H5ClS/c1-3(4)2-5/h5H,1-2H2InChIKey=XFPQSVAVAYJASO-UHFFFAOYSA-N110.9Ex 110.92(BP est) -73.91(MP est) ----(BP exp) ----(MP exp) SCC(Cl)=C -73.9PredN
ClC1SCC15238108.583C3H5ClS2-chlorothietaneN105ClC1SCC1InChI=1S/C3H5ClS/c4-3-1-2-5-3/h3H,1-2H2InChIKey=UIAYOXXZYQPKGP-UHFFFAOYSA-N123.4Ex 123.39(BP est) -34.71(MP est) ----(BP exp) ----(MP exp) ClC1SCC1 -34.7PredN
SCC=CCl5239108.583C3H5ClS3-chloroprop-2-ene-1-thiolN105SCC=CClInChI=1S/C3H5ClS/c4-2-1-3-5/h1-2,5H,3H2InChIKey=RPLQSFIORDJVEL-UHFFFAOYSA-N126.2Ex 126.21(BP est) -64.13(MP est) ----(BP exp) ----(MP exp) SCC=CCl -64.1PredN
ClC1CSC15240108.583C3H5ClS3-chlorothietaneN105ClC1CSC1InChI=1S/C3H5ClS/c4-3-1-5-2-3/h3H,1-2H2InChIKey=XCXWYBUEHDEIQV-UHFFFAOYSA-N123.4Ex 123.39(BP est) -34.71(MP est) ----(BP exp) ----(MP exp) ClC1CSC1 -34.7PredN
ClC(C1)=C1Cl5247108.949C3H2Cl21,2-dichlorocycloprop-1-eneN75ClC(C1)=C1ClInChI=1S/C3H2Cl2/c4-2-1-3(2)5/h1H2InChIKey=MIWGFVCCCKZKCS-UHFFFAOYSA-N82.0Ex 81.95(BP est) -53.79(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1Cl -53.8PredN
ClC1=CC1Cl5248108.949C3H2Cl21,3-dichlorocycloprop-1-eneN75ClC1=CC1ClInChI=1S/C3H2Cl2/c4-2-1-3(2)5/h1-2HInChIKey=LMAFJUCOWFFROF-UHFFFAOYSA-N92.5Ex 92.46(BP est) -59.10(MP est) ----(BP exp) ----(MP exp) ClC1=CC1Cl -59.1PredN
ClCC#CCl5249108.949C3H2Cl21,3-dichloroprop-1-yneN75ClCC#CClInChI=1S/C3H2Cl2/c4-2-1-3-5/h2H2InChIKey=QZNMPRPWDXTEQJ-UHFFFAOYSA-N117.6Ex 117.59(BP est) -14.32(MP est) ----(BP exp) ----(MP exp) ClCC#CCl -14.3PredN
ClC1(Cl)C=C15250108.949C3H2Cl23,3-dichlorocycloprop-1-eneN75ClC1(Cl)C=C1InChI=1S/C3H2Cl2/c4-3(5)1-2-3/h1-2HInChIKey=LRDDINJMWZMACU-UHFFFAOYSA-N70.3Ex 70.29(BP est) -59.88(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C=C1 -59.9PredN
ClC(C#C)Cl5251108.949C3H2Cl23,3-dichloroprop-1-yneN75ClC(C#C)ClInChI=1S/C3H2Cl2/c1-2-3(4)5/h1,3HInChIKey=ZPKJNYZSDAWAEA-UHFFFAOYSA-N96.5Ex 96.48(BP est) -57.55(MP est) ----(BP exp) ----(MP exp) ClC(C#C)Cl -57.6PredN
CCBr5252108.966C2H5BrbromoethaneN83CCBrInChI=1S/C2H5Br/c1-2-3/h2H2,1H3InChIKey=RDHPKYGYEGBMSE-UHFFFAOYSA-N38.2Ex 52.27(BP est) -92.10(MP est) 38.50(BP exp) -118.60(MP exp) CCBr -118.6ExptY(Kladi et al. 2004)
CC(N)P(=O)O5255109.065C2H8NO2P(1-aminoethyl)phosphinic acidN146CC(N)P(=O)OInChI=1S/C2H8NO2P/c1-2(3)6(4)5/h2,6H,3H2,1H3,(H,4,5)InChIKey=TVKUNRSARHGLNB-UHFFFAOYSA-N224.1Ex 224.09(BP est) 17.70(MP est) ----(BP exp) ----(MP exp) CC(N)P(=O)O 17.7PredN
O=P(CCN)O5256109.065C2H8NO2P(2-aminoethyl)phosphinic acidN146O=P(CCN)OInChI=1S/C2H8NO2P/c3-1-2-6(4)5/h6H,1-3H2,(H,4,5)InChIKey=CFAOOHORWCGLMC-UHFFFAOYSA-N235.3Ex 235.25(BP est) 28.46(MP est) ----(BP exp) ----(MP exp) O=P(CCN)O 28.5PredY(DNP 2017)
CP(=O)(CN)O5257109.065C2H8NO2P(aminomethyl)(methyl)phosphinic acidN146CP(=O)(CN)OInChI=1S/C2H8NO2P/c1-6(4,5)2-3/h2-3H2,1H3,(H,4,5)InChIKey=QLAUIXHXGPSZQW-UHFFFAOYSA-N233.6Ex 233.55(BP est) 19.78(MP est) ----(BP exp) ----(MP exp) CP(=O)(CN)O 19.8PredN
NP(OC)OC5258109.065C2H8NO2Pdimethyl phosphoramiditeN146NP(OC)OCInChI=1S/C2H8NO2P/c1-4-6(3)5-2/h3H2,1-2H3InChIKey=ACEMSBOZYKNMNV-UHFFFAOYSA-N130.1Ex 130.09(BP est) -28.61(MP est) ----(BP exp) ----(MP exp) NP(OC)OC -28.6PredN
O=S(CN)(C)=O5259109.143C2H7NO2S(methylsulfonyl)methanamineN136O=S(CN)(C)=OInChI=1S/C2H7NO2S/c1-6(4,5)2-3/h2-3H2,1H3InChIKey=JYGWVCOFTZZSGS-UHFFFAOYSA-N200.5Ex 200.48(BP est) 26.40(MP est) ----(BP exp) ----(MP exp) O=S(CN)(C)=O 26.4PredN
O=S(O)C(N)C5260109.143C2H7NO2S1-aminoethane-1-sulfinic acidN136O=S(O)C(N)CInChI=1S/C2H7NO2S/c1-2(3)6(4)5/h2H,3H2,1H3,(H,4,5)InChIKey=QDTLBJBCSDJSCT-UHFFFAOYSA-N259.0Ex 259.03(BP est) 52.90(MP est) ----(BP exp) ----(MP exp) O=S(O)C(N)C 52.9PredN
O=S(CCN)O5261109.143C2H7NO2S2-aminoethane-1-sulfinic acidN136O=S(CCN)OInChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)InChIKey=VVIUBCNYACGLLV-UHFFFAOYSA-N269.1Ex 269.13(BP est) 63.35(MP est) ----(BP exp) ----(MP exp) O=S(CCN)O 63.4PredY(Irwin et al. 2012, ExPaSy 2015, DNP 2017)
O=S(O)N(C)C5262109.143C2H7NO2Sdimethylsulfuramidous acidN136O=S(O)N(C)CInChI=1S/C2H7NO2S/c1-3(2)6(4)5/h1-2H3,(H,4,5)InChIKey=SUZDSKMNCIZSIW-UHFFFAOYSA-N240.2Ex 240.18(BP est) 29.50(MP est) ----(BP exp) ----(MP exp) O=S(O)N(C)C 29.5PredN
O=S(N)(CC)=O5263109.143C2H7NO2SethanesulfonamideN136O=S(N)(CC)=OInChI=1S/C2H7NO2S/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)InChIKey=ZCRZCMUDOWDGOB-UHFFFAOYSA-N200.5Ex 200.48(BP est) 26.40(MP est) ----(BP exp) ----(MP exp) O=S(N)(CC)=O 26.4PredN
O=S(NC)(C)=O5264109.143C2H7NO2SN-methylmethanesulfonamideN136O=S(NC)(C)=OInChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3InChIKey=UHNHTTIUNATJKL-UHFFFAOYSA-N184.7Ex 184.65(BP est) 17.98(MP est) ----(BP exp) ----(MP exp) O=S(NC)(C)=O 18PredN
NC(Cl)(F)(C=C)5267109.528C3H5ClFN1-chloro-1-fluoroprop-2-en-1-amineN116NC(Cl)(F)(C=C)InChI=1S/C3H5ClFN/c1-2-3(4,5)6/h2H,1,6H2InChIKey=VVSMAZKFMJCGQB-UHFFFAOYSA-N78.1Ex 78.12(BP est) -51.60(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(C=C) -51.6PredN
NC(Cl)(C1)(C1F)5268109.528C3H5ClFN1-chloro-2-fluorocyclopropan-1-amineN116NC(Cl)(C1)(C1F)InChI=1S/C3H5ClFN/c4-3(6)1-2(3)5/h2H,1,6H2InChIKey=GRFALENNZSMEIJ-UHFFFAOYSA-N88.6Ex 88.63(BP est) -30.07(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C1)(C1F) -30.1PredN
NC(Cl)(C(F)=C)5269109.528C3H5ClFN1-chloro-2-fluoroprop-2-en-1-amineN116NC(Cl)(C(F)=C)InChI=1S/C3H5ClFN/c1-2(5)3(4)6/h3H,1,6H2InChIKey=MOSGZVAIOZZOBI-UHFFFAOYSA-N94.5Ex 94.50(BP est) -62.51(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(F)=C) -62.5PredN
NC(Cl)(C=CF)5270109.528C3H5ClFN1-chloro-3-fluoroprop-2-en-1-amineN116NC(Cl)(C=CF)InChI=1S/C3H5ClFN/c4-3(6)1-2-5/h1-3H,6H2InChIKey=HOKYHKALVWDEQX-UHFFFAOYSA-N110.2Ex 110.19(BP est) -52.61(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C=CF) -52.6PredN
ClC(F)C1CN15271109.528C3H5ClFN2-(chlorofluoromethyl)aziridineN116ClC(F)C1CN1InChI=1S/C3H5ClFN/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=FXCYHSHJRATUJE-UHFFFAOYSA-N106.0Ex 106.00(BP est) -31.44(MP est) ----(BP exp) ----(MP exp) ClC(F)C1CN1 -31.4PredN
FC1(CCl)CN15272109.528C3H5ClFN2-(chloromethyl)-2-fluoroaziridineN116FC1(CCl)CN1InChI=1S/C3H5ClFN/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=CKUAAAVYYDRRBA-UHFFFAOYSA-N120.6Ex 120.60(BP est) -7.73(MP est) ----(BP exp) ----(MP exp) FC1(CCl)CN1 -7.7PredN
FC1C(CCl)N15273109.528C3H5ClFN2-(chloromethyl)-3-fluoroaziridineN116FC1C(CCl)N1InChI=1S/C3H5ClFN/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=MSJMPQOPSHUPTP-UHFFFAOYSA-N126.1Ex 126.11(BP est) -20.19(MP est) ----(BP exp) ----(MP exp) FC1C(CCl)N1 -20.2PredN
NC(F)(C1)(C1Cl)5274109.528C3H5ClFN2-chloro-1-fluorocyclopropan-1-amineN116NC(F)(C1)(C1Cl)InChI=1S/C3H5ClFN/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=HDLYSZGTFWWKDX-UHFFFAOYSA-N101.8Ex 101.80(BP est) -26.22(MP est) ----(BP exp) ----(MP exp) NC(F)(C1)(C1Cl) -26.2PredN
NC(F)(C(Cl)=C)5275109.528C3H5ClFN2-chloro-1-fluoroprop-2-en-1-amineN116NC(F)(C(Cl)=C)InChI=1S/C3H5ClFN/c1-2(4)3(5)6/h3H,1,6H2InChIKey=HOEDJAQZQDGJPL-UHFFFAOYSA-N79.0Ex 78.98(BP est) -67.04(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Cl)=C) -67PredN
ClC1(CF)CN15276109.528C3H5ClFN2-chloro-2-(fluoromethyl)aziridineN116ClC1(CF)CN1InChI=1S/C3H5ClFN/c4-3(1-5)2-6-3/h6H,1-2H2InChIKey=CALBIHUAPXTAII-UHFFFAOYSA-N94.7Ex 94.74(BP est) -15.28(MP est) ----(BP exp) ----(MP exp) ClC1(CF)CN1 -15.3PredN
ClC1(F)C(C)N15277109.528C3H5ClFN2-chloro-2-fluoro-3-methylaziridineN116ClC1(F)C(C)N1InChI=1S/C3H5ClFN/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=GWMBHPPBYVPYGP-UHFFFAOYSA-N87.7Ex 87.68(BP est) -19.46(MP est) ----(BP exp) ----(MP exp) ClC1(F)C(C)N1 -19.5PredN
ClC1(F)NCC15278109.528C3H5ClFN2-chloro-2-fluoroazetidineN116ClC1(F)NCC1InChI=1S/C3H5ClFN/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=MQGLGPOGGGOMTH-UHFFFAOYSA-N97.0Ex 96.95(BP est) -16.39(MP est) ----(BP exp) ----(MP exp) ClC1(F)NCC1 -16.4PredN
NC(C1)(C1(Cl)F)5279109.528C3H5ClFN2-chloro-2-fluorocyclopropan-1-amineN116NC(C1)(C1(Cl)F)InChI=1S/C3H5ClFN/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=PBECTXZCMGODTN-UHFFFAOYSA-N88.6Ex 88.63(BP est) -30.07(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(Cl)F) -30.1PredN
ClC1C(CF)N15280109.528C3H5ClFN2-chloro-3-(fluoromethyl)aziridineN116ClC1C(CF)N1InChI=1S/C3H5ClFN/c4-3-2(1-5)6-3/h2-3,6H,1H2InChIKey=BFCHECGGDGTPEK-UHFFFAOYSA-N113.4Ex 113.40(BP est) -23.90(MP est) ----(BP exp) ----(MP exp) ClC1C(CF)N1 -23.9PredN
FC1C(Cl)(C)N15281109.528C3H5ClFN2-chloro-3-fluoro-2-methylaziridineN116FC1C(Cl)(C)N1InChI=1S/C3H5ClFN/c1-3(4)2(5)6-3/h2,6H,1H3InChIKey=LDAMNISQSXRCQM-UHFFFAOYSA-N87.7Ex 87.68(BP est) -19.46(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(C)N1 -19.5PredN
ClC1NCC1F5282109.528C3H5ClFN2-chloro-3-fluoroazetidineN116ClC1NCC1FInChI=1S/C3H5ClFN/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=NTCWTADFUOHNFE-UHFFFAOYSA-N115.6Ex 115.56(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) ClC1NCC1F -25PredN
NC(C1Cl)(C1F)5283109.528C3H5ClFN2-chloro-3-fluorocyclopropan-1-amineN116NC(C1Cl)(C1F)InChI=1S/C3H5ClFN/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=NIRIHTZLEFIKAN-UHFFFAOYSA-N107.5Ex 107.47(BP est) -38.63(MP est) ----(BP exp) ----(MP exp) NC(C1Cl)(C1F) -38.6PredN
NC(C(Cl)=CF)5284109.528C3H5ClFN2-chloro-3-fluoroprop-2-en-1-amineN116NC(C(Cl)=CF)InChI=1S/C3H5ClFN/c4-3(1-5)2-6/h1H,2,6H2InChIKey=WYPBDOLOFQNGLV-UHFFFAOYSA-N103.0Ex 102.99(BP est) -54.19(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)=CF) -54.2PredN
ClC1CC(F)N15285109.528C3H5ClFN2-chloro-4-fluoroazetidineN116ClC1CC(F)N1InChI=1S/C3H5ClFN/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=WWUWUVOYIUJHJC-UHFFFAOYSA-N115.6Ex 115.56(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) ClC1CC(F)N1 -25PredN
NC(F)(C=CCl)5286109.528C3H5ClFN3-chloro-1-fluoroprop-2-en-1-amineN116NC(F)(C=CCl)InChI=1S/C3H5ClFN/c4-2-1-3(5)6/h1-3H,6H2InChIKey=ZMYCYDHDAHXCIU-UHFFFAOYSA-N95.1Ex 95.05(BP est) -57.03(MP est) ----(BP exp) ----(MP exp) NC(F)(C=CCl) -57PredN
ClC1C(F)(C)N15287109.528C3H5ClFN3-chloro-2-fluoro-2-methylaziridineN116ClC1C(F)(C)N1InChI=1S/C3H5ClFN/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=LKMOJWINBNYXJL-UHFFFAOYSA-N100.9Ex 100.87(BP est) -15.61(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(C)N1 -15.6PredN
FC1NCC1Cl5288109.528C3H5ClFN3-chloro-2-fluoroazetidineN116FC1NCC1ClInChI=1S/C3H5ClFN/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=AFHJVEDIEJKKDX-UHFFFAOYSA-N115.6Ex 115.56(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) FC1NCC1Cl -25PredN
NC(C(F)=CCl)5289109.528C3H5ClFN3-chloro-2-fluoroprop-2-en-1-amineN116NC(C(F)=CCl)InChI=1S/C3H5ClFN/c4-1-3(5)2-6/h1H,2,6H2InChIKey=NRDXOPVWCQIFLD-UHFFFAOYSA-N103.0Ex 102.99(BP est) -54.19(MP est) ----(BP exp) ----(MP exp) NC(C(F)=CCl) -54.2PredN
ClC1(F)CNC15290109.528C3H5ClFN3-chloro-3-fluoroazetidineN116ClC1(F)CNC1InChI=1S/C3H5ClFN/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=NKUPMQJEPRHFDR-UHFFFAOYSA-N97.0Ex 96.95(BP est) -16.39(MP est) ----(BP exp) ----(MP exp) ClC1(F)CNC1 -16.4PredN
NC(C=C(Cl)F)5291109.528C3H5ClFN3-chloro-3-fluoroprop-2-en-1-amineN116NC(C=C(Cl)F)InChI=1S/C3H5ClFN/c4-3(5)1-2-6/h1H,2,6H2InChIKey=SYNAPOBQQNPJIB-UHFFFAOYSA-N103.0Ex 102.99(BP est) -54.19(MP est) ----(BP exp) ----(MP exp) NC(C=C(Cl)F) -54.2PredN
NCOC(C)Cl5292109.553C3H8ClNO(1-chloroethoxy)methanamineN146NCOC(C)ClInChI=1S/C3H8ClNO/c1-3(4)6-2-5/h3H,2,5H2,1H3InChIKey=IERGALXOBZIVGW-UHFFFAOYSA-N125.0Ex 124.97(BP est) -34.94(MP est) ----(BP exp) ----(MP exp) NCOC(C)Cl -34.9PredN
NCOCCCl5293109.553C3H8ClNO(2-chloroethoxy)methanamineN146NCOCCClInChI=1S/C3H8ClNO/c4-1-2-6-3-5/h1-3,5H2InChIKey=URVWTQZGXMRMBR-UHFFFAOYSA-N150.9Ex 150.87(BP est) -19.87(MP est) ----(BP exp) ----(MP exp) NCOCCCl -19.9PredN
NC(OCCl)C5294109.553C3H8ClNO1-(chloromethoxy)ethan-1-amineN146NC(OCCl)CInChI=1S/C3H8ClNO/c1-3(5)6-2-4/h3H,2,5H2,1H3InChIKey=HURLYVXXCBMSEY-UHFFFAOYSA-N137.4Ex 137.43(BP est) -31.30(MP est) ----(BP exp) ----(MP exp) NC(OCCl)C -31.3PredN
CNCOCCl5295109.553C3H8ClNO1-(chloromethoxy)-N-methylmethanamineN146CNCOCClInChI=1S/C3H8ClNO/c1-5-3-6-2-4/h5H,2-3H2,1H3InChIKey=SLRSWMSKWYCPCL-UHFFFAOYSA-N133.4Ex 133.37(BP est) -40.28(MP est) ----(BP exp) ----(MP exp) CNCOCCl -40.3PredN
NC(Cl)C(O)(C)5296109.553C3H8ClNO1-amino-1-chloropropan-2-olN146NC(Cl)C(O)(C)InChI=1S/C3H8ClNO/c1-2(6)3(4)5/h2-3,6H,5H2,1H3InChIKey=HVMIOLXPDYXXEZ-UHFFFAOYSA-N164.6Ex 164.60(BP est) -11.57(MP est) ----(BP exp) ----(MP exp) NC(Cl)C(O)(C) -11.6PredN
NCC(Cl)(C)O5297109.553C3H8ClNO1-amino-2-chloropropan-2-olN146NCC(Cl)(C)OInChI=1S/C3H8ClNO/c1-3(4,6)2-5/h6H,2,5H2,1H3InChIKey=BVOJRANVHNNKRJ-UHFFFAOYSA-N147.0Ex 147.04(BP est) -0.49(MP est) ----(BP exp) ----(MP exp) NCC(Cl)(C)O -0.5PredN
NCC(O)(CCl)5298109.553C3H8ClNO1-amino-3-chloropropan-2-olN146NCC(O)(CCl)InChI=1S/C3H8ClNO/c4-1-3(6)2-5/h3,6H,1-2,5H2InChIKey=CYJBWQFWXJKKMS-UHFFFAOYSA-N188.7Ex 188.65(BP est) 2.95(MP est) ----(BP exp) ----(MP exp) NCC(O)(CCl) 3PredN
NC(C)(OC)Cl5299109.553C3H8ClNO1-chloro-1-methoxyethan-1-amineN146NC(C)(OC)ClInChI=1S/C3H8ClNO/c1-3(4,5)6-2/h5H2,1-2H3InChIKey=NXKCCRQMFLAZAS-UHFFFAOYSA-N102.9Ex 102.88(BP est) -32.68(MP est) ----(BP exp) ----(MP exp) NC(C)(OC)Cl -32.7PredN
CNC(OC)Cl5300109.553C3H8ClNO1-chloro-1-methoxy-N-methylmethanamineN146CNC(OC)ClInChI=1S/C3H8ClNO/c1-5-3(4)6-2/h3,5H,1-2H3InChIKey=FERREGMEVWIQDF-UHFFFAOYSA-N106.7Ex 106.66(BP est) -55.58(MP est) ----(BP exp) ----(MP exp) CNC(OC)Cl -55.6PredN
CNCC(O)(Cl)5301109.553C3H8ClNO1-chloro-2-(methylamino)ethan-1-olN146CNCC(O)(Cl)InChI=1S/C3H8ClNO/c1-5-2-3(4)6/h3,5-6H,2H2,1H3InChIKey=WEANSIPJLSYQNX-UHFFFAOYSA-N160.7Ex 160.74(BP est) -20.50(MP est) ----(BP exp) ----(MP exp) CNCC(O)(Cl) -20.5PredN
NC(COC)Cl5302109.553C3H8ClNO1-chloro-2-methoxyethan-1-amineN146NC(COC)ClInChI=1S/C3H8ClNO/c1-6-2-3(4)5/h3H,2,5H2,1H3InChIKey=AUKHQJRUCIUOIV-UHFFFAOYSA-N125.0Ex 124.97(BP est) -34.94(MP est) ----(BP exp) ----(MP exp) NC(COC)Cl -34.9PredN
ClCNCOC5303109.553C3H8ClNO1-chloro-N-(methoxymethyl)methanamineN146ClCNCOCInChI=1S/C3H8ClNO/c1-6-3-5-2-4/h5H,2-3H2,1H3InChIKey=UNEOURAIVJOZHW-UHFFFAOYSA-N133.4Ex 133.37(BP est) -40.28(MP est) ----(BP exp) ----(MP exp) ClCNCOC -40.3PredN
C(Cl)NCC(O)5304109.553C3H8ClNO2-((chloromethyl)amino)ethan-1-olN146C(Cl)NCC(O)InChI=1S/C3H8ClNO/c4-3-5-1-2-6/h5-6H,1-3H2InChIKey=ITPMMMXWTRWEIM-UHFFFAOYSA-N191.6Ex 191.58(BP est) -3.99(MP est) ----(BP exp) ----(MP exp) C(Cl)NCC(O) -4PredN
NCCOC(Cl)5305109.553C3H8ClNO2-(chloromethoxy)ethan-1-amineN146NCCOC(Cl)InChI=1S/C3H8ClNO/c4-3-6-2-1-5/h1-3,5H2InChIKey=PYGILZMZLVGJBC-UHFFFAOYSA-N150.9Ex 150.87(BP est) -19.87(MP est) ----(BP exp) ----(MP exp) NCCOC(Cl) -19.9PredN
NC(C)C(O)(Cl)5306109.553C3H8ClNO2-amino-1-chloropropan-1-olN146NC(C)C(O)(Cl)InChI=1S/C3H8ClNO/c1-2(5)3(4)6/h2-3,6H,5H2,1H3InChIKey=CVZQXWOHPXJAEZ-UHFFFAOYSA-N164.6Ex 164.60(BP est) -11.57(MP est) ----(BP exp) ----(MP exp) NC(C)C(O)(Cl) -11.6PredN
NC(Cl)(C)C(O)5307109.553C3H8ClNO2-amino-2-chloropropan-1-olN146NC(Cl)(C)C(O)InChI=1S/C3H8ClNO/c1-3(4,5)2-6/h6H,2,5H2,1H3InChIKey=LQWAASYFSXVGRX-UHFFFAOYSA-N164.3Ex 164.29(BP est) 4.55(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C)C(O) 4.6PredN
NC(CCl)C(O)5308109.553C3H8ClNO2-amino-3-chloropropan-1-olN146NC(CCl)C(O)InChI=1S/C3H8ClNO/c4-1-3(5)2-6/h3,6H,1-2,5H2InChIKey=YNTAOEPAYSOYRR-UHFFFAOYSA-N195.2Ex 195.21(BP est) 4.86(MP est) ----(BP exp) ----(MP exp) NC(CCl)C(O) 4.9PredN
NC(OC)CCl5309109.553C3H8ClNO2-chloro-1-methoxyethan-1-amineN146NC(OC)CClInChI=1S/C3H8ClNO/c1-6-3(5)2-4/h3H,2,5H2,1H3InChIKey=NKGBGTHIKMGMON-UHFFFAOYSA-N137.4Ex 137.43(BP est) -31.30(MP est) ----(BP exp) ----(MP exp) NC(OC)CCl -31.3PredN
CNC(Cl)C(O)5310109.553C3H8ClNO2-chloro-2-(methylamino)ethan-1-olN146CNC(Cl)C(O)InChI=1S/C3H8ClNO/c1-5-3(4)2-6/h3,5-6H,2H2,1H3InChIKey=PKGPQAUHSDSACD-UHFFFAOYSA-N167.7Ex 167.68(BP est) -18.47(MP est) ----(BP exp) ----(MP exp) CNC(Cl)C(O) -18.5PredN
NCC(OC)Cl5311109.553C3H8ClNO2-chloro-2-methoxyethan-1-amineN146NCC(OC)ClInChI=1S/C3H8ClNO/c1-6-3(4)2-5/h3H,2,5H2,1H3InChIKey=UOLGLFWGYYSHIA-UHFFFAOYSA-N125.0Ex 124.97(BP est) -34.94(MP est) ----(BP exp) ----(MP exp) NCC(OC)Cl -34.9PredN
NCCC(O)(Cl)5312109.553C3H8ClNO3-amino-1-chloropropan-1-olN146NCCC(O)(Cl)InChI=1S/C3H8ClNO/c4-3(6)1-2-5/h3,6H,1-2,5H2InChIKey=JESSXSHIONADDF-UHFFFAOYSA-N177.4Ex 177.37(BP est) -0.34(MP est) ----(BP exp) ----(MP exp) NCCC(O)(Cl) -0.3PredN
NCC(Cl)C(O)5313109.553C3H8ClNO3-amino-2-chloropropan-1-olN146NCC(Cl)C(O)InChI=1S/C3H8ClNO/c4-3(1-5)2-6/h3,6H,1-2,5H2InChIKey=ZLTRGJLBUGKEDQ-UHFFFAOYSA-N184.1Ex 184.08(BP est) 1.62(MP est) ----(BP exp) ----(MP exp) NCC(Cl)C(O) 1.6PredN
NC(Cl)CC(O)5314109.553C3H8ClNO3-amino-3-chloropropan-1-olN146NC(Cl)CC(O)InChI=1S/C3H8ClNO/c4-3(5)1-2-6/h3,6H,1-2,5H2InChIKey=NUJBUZAHMFBGBF-UHFFFAOYSA-N184.1Ex 184.08(BP est) 1.62(MP est) ----(BP exp) ----(MP exp) NC(Cl)CC(O) 1.6PredN
NC(OCC)Cl5315109.553C3H8ClNOchloro(ethoxy)methanamineN146NC(OCC)ClInChI=1S/C3H8ClNO/c1-2-6-3(4)5/h3H,2,5H2,1H3InChIKey=VIEFFIYMQIANOD-UHFFFAOYSA-N125.0Ex 124.97(BP est) -34.94(MP est) ----(BP exp) ----(MP exp) NC(OCC)Cl -34.9PredN
CN(O)C(C)Cl5316109.553C3H8ClNON-(1-chloroethyl)-N-methylhydroxylamineN146CN(O)C(C)ClInChI=1S/C3H8ClNO/c1-3(4)5(2)6/h3,6H,1-2H3InChIKey=HZWURKZAMKWYMS-UHFFFAOYSA-N229.5Ex 229.52(BP est) 12.57(MP est) ----(BP exp) ----(MP exp) CN(O)C(C)Cl 12.6PredN
ClC(C)NOC5317109.553C3H8ClNON-(1-chloroethyl)-O-methylhydroxylamineN146ClC(C)NOCInChI=1S/C3H8ClNO/c1-3(4)5-6-2/h3,5H,1-2H3InChIKey=ALLWMHCJQDBNMC-UHFFFAOYSA-N106.7Ex 106.66(BP est) -55.58(MP est) ----(BP exp) ----(MP exp) ClC(C)NOC -55.6PredN
ClC(CC)NO5318109.553C3H8ClNON-(1-chloropropyl)hydroxylamineN146ClC(CC)NOInChI=1S/C3H8ClNO/c1-2-3(4)5-6/h3,5-6H,2H2,1H3InChIKey=KQZVZUUKPNVBAT-UHFFFAOYSA-N183.1Ex 183.12(BP est) -13.96(MP est) ----(BP exp) ----(MP exp) ClC(CC)NO -14PredN
ClCCN(O)C5319109.553C3H8ClNON-(2-chloroethyl)-N-methylhydroxylamineN146ClCCN(O)CInChI=1S/C3H8ClNO/c1-5(6)3-2-4/h6H,2-3H2,1H3InChIKey=SVNBAUZIBZZTSX-UHFFFAOYSA-N250.2Ex 250.20(BP est) 26.10(MP est) ----(BP exp) ----(MP exp) ClCCN(O)C 26.1PredN
ClCCNOC5320109.553C3H8ClNON-(2-chloroethyl)-O-methylhydroxylamineN146ClCCNOCInChI=1S/C3H8ClNO/c1-6-5-3-2-4/h5H,2-3H2,1H3InChIKey=WLJSSQCPWXVWLX-UHFFFAOYSA-N133.4Ex 133.37(BP est) -40.28(MP est) ----(BP exp) ----(MP exp) ClCCNOC -40.3PredN
ClC(C)CNO5321109.553C3H8ClNON-(2-chloropropyl)hydroxylamineN146ClC(C)CNOInChI=1S/C3H8ClNO/c1-3(4)2-5-6/h3,5-6H,2H2,1H3InChIKey=JOJIMXSDLOHMED-UHFFFAOYSA-N183.1Ex 183.12(BP est) -13.96(MP est) ----(BP exp) ----(MP exp) ClC(C)CNO -14PredN
CN(OC)CCl5322109.553C3H8ClNON-(chloromethyl)-N,O-dimethylhydroxylamineN146CN(OC)CClInChI=1S/C3H8ClNO/c1-5(3-4)6-2/h3H2,1-2H3InChIKey=SBNYWHYERICXHW-UHFFFAOYSA-N112.6Ex 112.60(BP est) -56.44(MP est) ----(BP exp) ----(MP exp) CN(OC)CCl -56.4PredN
ClCN(O)CC5323109.553C3H8ClNON-(chloromethyl)-N-ethylhydroxylamineN146ClCN(O)CCInChI=1S/C3H8ClNO/c1-2-5(6)3-4/h6H,2-3H2,1H3InChIKey=KOHMRIMYCTXDAL-UHFFFAOYSA-N250.2Ex 250.20(BP est) 26.10(MP est) ----(BP exp) ----(MP exp) ClCN(O)CC 26.1PredN
ClCNOCC5324109.553C3H8ClNON-(chloromethyl)-O-ethylhydroxylamineN146ClCNOCCInChI=1S/C3H8ClNO/c1-2-6-5-3-4/h5H,2-3H2,1H3InChIKey=MVGWQHARHMIIDI-UHFFFAOYSA-N133.4Ex 133.37(BP est) -40.28(MP est) ----(BP exp) ----(MP exp) ClCNOCC -40.3PredN
CNOC(C)Cl5325109.553C3H8ClNOO-(1-chloroethyl)-N-methylhydroxylamineN146CNOC(C)ClInChI=1S/C3H8ClNO/c1-3(4)6-5-2/h3,5H,1-2H3InChIKey=BJGWRRWXGHLNNK-UHFFFAOYSA-N106.7Ex 106.66(BP est) -55.58(MP est) ----(BP exp) ----(MP exp) CNOC(C)Cl -55.6PredN
NOC(CC)Cl5326109.553C3H8ClNOO-(1-chloropropyl)hydroxylamineN146NOC(CC)ClInChI=1S/C3H8ClNO/c1-2-3(4)6-5/h3H,2,5H2,1H3InChIKey=SSVIVQOLOWFCOJ-UHFFFAOYSA-N125.0Ex 124.97(BP est) -34.94(MP est) ----(BP exp) ----(MP exp) NOC(CC)Cl -34.9PredN
CNOCCCl5327109.553C3H8ClNOO-(2-chloroethyl)-N-methylhydroxylamineN146CNOCCClInChI=1S/C3H8ClNO/c1-5-6-3-2-4/h5H,2-3H2,1H3InChIKey=JCDZKVCENDVKLC-UHFFFAOYSA-N133.4Ex 133.37(BP est) -40.28(MP est) ----(BP exp) ----(MP exp) CNOCCCl -40.3PredN
NOCC(C)Cl5328109.553C3H8ClNOO-(2-chloropropyl)hydroxylamineN146NOCC(C)ClInChI=1S/C3H8ClNO/c1-3(4)2-6-5/h3H,2,5H2,1H3InChIKey=ZKYGUKVGOPNXLZ-UHFFFAOYSA-N125.0Ex 124.97(BP est) -34.94(MP est) ----(BP exp) ----(MP exp) NOCC(C)Cl -34.9PredN
NOCCCCl5329109.553C3H8ClNOO-(3-chloropropyl)hydroxylamineN146NOCCCClInChI=1S/C3H8ClNO/c4-2-1-3-6-5/h1-3,5H2InChIKey=BAXBNCGCWYSPDM-UHFFFAOYSA-N150.9Ex 150.87(BP est) -19.87(MP est) ----(BP exp) ----(MP exp) NOCCCCl -19.9PredN
CN(OCCl)C5330109.553C3H8ClNOO-(chloromethyl)-N,N-dimethylhydroxylamineN146CN(OCCl)CInChI=1S/C3H8ClNO/c1-5(2)6-3-4/h3H2,1-2H3InChIKey=YIHVRURYDQKBQV-UHFFFAOYSA-N112.6Ex 112.60(BP est) -56.44(MP est) ----(BP exp) ----(MP exp) CN(OCCl)C -56.4PredN
CCNOCCl5331109.553C3H8ClNOO-(chloromethyl)-N-ethylhydroxylamineN146CCNOCClInChI=1S/C3H8ClNO/c1-2-5-6-3-4/h5H,2-3H2,1H3InChIKey=SWXYAUUFYIRYBN-UHFFFAOYSA-N133.4Ex 133.37(BP est) -40.28(MP est) ----(BP exp) ----(MP exp) CCNOCCl -40.3PredN
N#CC(Cl)Cl5332109.937C2HCl2N2,2-dichloroacetonitrileN65N#CC(Cl)ClInChI=1S/C2HCl2N/c3-2(4)1-5/h2HInChIKey=STZZWJCGRKXEFF-UHFFFAOYSA-N112.5Ex 157.57(BP est) -36.34(MP est) 112.50(BP exp) ----(MP exp) N#CC(Cl)Cl -36.3PredY(Ballschmiter 2003)
ClC(N1)=C1Cl5333109.937C2HCl2N2,3-dichloro-1H-azirineN65ClC(N1)=C1ClInChI=1S/C2HCl2N/c3-1-2(4)5-1/h5HInChIKey=FFXBBMYOVRNSIV-UHFFFAOYSA-N120.6Ex 120.60(BP est) 4.37(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1Cl 4.4PredN
NCBr5335109.954CH4BrNbromomethanamineN73NCBrInChI=1S/CH4BrN/c2-1-3/h1,3H2InChIKey=QWVSXPISPLPZQU-UHFFFAOYSA-N93.6Ex 93.58(BP est) -44.05(MP est) ----(BP exp) ----(MP exp) NCBr -44.1PredN
O=PC(F)=CF5336110C2HF2OP(1,2-difluorovinyl)(oxo)phosphaneN76O=PC(F)=CFInChI=1S/C2HF2OP/c3-1-2(4)6-5/h1HInChIKey=WKGMZSMZFURUOT-UHFFFAOYSA-N90.1Ex 90.10(BP est) -86.70(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CF -86.7PredN
O=PC=C(F)F5337110C2HF2OP(2,2-difluorovinyl)(oxo)phosphaneN76O=PC=C(F)FInChI=1S/C2HF2OP/c3-2(4)1-6-5/h1HInChIKey=RIKHGXCXHGBYJX-UHFFFAOYSA-N90.1Ex 90.10(BP est) -86.70(MP est) ----(BP exp) ----(MP exp) O=PC=C(F)F -86.7PredN
O=CP(=O)(O)O5338110.005CH3O4Pformylphosphonic acidN96O=CP(=O)(O)OInChI=1S/CH3O4P/c2-1-6(3,4)5/h1H,(H2,3,4,5)InChIKey=DEBRGDVXKPMWQZ-UHFFFAOYSA-N290.1Ex 290.08(BP est) 32.78(MP est) ----(BP exp) ----(MP exp) O=CP(=O)(O)O 32.8PredN
O=P(C(F)=C)O5339110.024C2H4FO2P(1-fluorovinyl)phosphinic acidN106O=P(C(F)=C)OInChI=1S/C2H4FO2P/c1-2(3)6(4)5/h6H,1H2,(H,4,5)InChIKey=AUAARCYPWSXPFS-UHFFFAOYSA-N178.5Ex 178.52(BP est) -37.30(MP est) ----(BP exp) ----(MP exp) O=P(C(F)=C)O -37.3PredN
O=P(C=CF)O5341110.024C2H4FO2P(2-fluorovinyl)phosphinic acidN106O=P(C=CF)OInChI=1S/C2H4FO2P/c3-1-2-6(4)5/h1-2,6H,(H,4,5)InChIKey=IPGPPIIQBNRDMO-UHFFFAOYSA-N192.0Ex 192.00(BP est) -28.04(MP est) ----(BP exp) ----(MP exp) O=P(C=CF)O -28PredN
O=P1(O)C(F)C15343110.024C2H4FO2P2-fluoro-1-hydroxyphosphirane 1-oxideN106O=P1(O)C(F)C1InChI=1S/C2H4FO2P/c3-2-1-6(2,4)5/h2H,1H2,(H,4,5)InChIKey=DMQOWIVUQGQZCS-UHFFFAOYSA-N185.4Ex 185.43(BP est) -24.88(MP est) ----(BP exp) ----(MP exp) O=P1(O)C(F)C1 -24.9PredN
PC(C=C)(F)F5344110.044C3H5F2P(1,1-difluoroallyl)phosphaneN116PC(C=C)(F)FInChI=1S/C3H5F2P/c1-2-3(4,5)6/h2H,1,6H2InChIKey=DWPHNOVNGABOQT-UHFFFAOYSA-N37.0Ex 36.99(BP est) -104.22(MP est) ----(BP exp) ----(MP exp) PC(C=C)(F)F -104.2PredN
PC(F)C(F)=C5345110.044C3H5F2P(1,2-difluoroallyl)phosphaneN116PC(F)C(F)=CInChI=1S/C3H5F2P/c1-2(4)3(5)6/h3H,1,6H2InChIKey=ULAACWNYAUTATQ-UHFFFAOYSA-N40.2Ex 40.23(BP est) -118.97(MP est) ----(BP exp) ----(MP exp) PC(F)C(F)=C -119PredN
CPC(F)=CF5346110.044C3H5F2P(1,2-difluorovinyl)(methyl)phosphaneN116CPC(F)=CFInChI=1S/C3H5F2P/c1-6-3(5)2-4/h2,6H,1H3InChIKey=DODLNEXVRWTNOH-UHFFFAOYSA-N43.5Ex 43.53(BP est) -120.35(MP est) ----(BP exp) ----(MP exp) CPC(F)=CF -120.4PredN
PC(F)C=CF5347110.044C3H5F2P(1,3-difluoroallyl)phosphaneN116PC(F)C=CFInChI=1S/C3H5F2P/c4-2-1-3(5)6/h1-3H,6H2InChIKey=NQXILHFFXVABEW-UHFFFAOYSA-N57.2Ex 57.20(BP est) -108.69(MP est) ----(BP exp) ----(MP exp) PC(F)C=CF -108.7PredN
CPC=C(F)F5348110.044C3H5F2P(2,2-difluorovinyl)(methyl)phosphaneN116CPC=C(F)FInChI=1S/C3H5F2P/c1-6-2-3(4)5/h2,6H,1H3InChIKey=ZMFXFBDEIODBKT-UHFFFAOYSA-N43.5Ex 43.53(BP est) -120.35(MP est) ----(BP exp) ----(MP exp) CPC=C(F)F -120.4PredN
PCC(F)=CF5349110.044C3H5F2P(2,3-difluoroallyl)phosphaneN116PCC(F)=CFInChI=1S/C3H5F2P/c4-1-3(5)2-6/h1H,2,6H2InChIKey=FRGSFDTZIBMQLE-UHFFFAOYSA-N65.6Ex 65.59(BP est) -105.72(MP est) ----(BP exp) ----(MP exp) PCC(F)=CF -105.7PredN
PCC=C(F)F5350110.044C3H5F2P(3,3-difluoroallyl)phosphaneN116PCC=C(F)FInChI=1S/C3H5F2P/c4-3(5)1-2-6/h1H,2,6H2InChIKey=GNKKCPBOZFMKTQ-UHFFFAOYSA-N65.6Ex 65.59(BP est) -105.72(MP est) ----(BP exp) ----(MP exp) PCC=C(F)F -105.7PredN
FC(PC=C)F5351110.044C3H5F2P(difluoromethyl)(vinyl)phosphaneN116FC(PC=C)FInChI=1S/C3H5F2P/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=DMCZZOKQYHQOFX-UHFFFAOYSA-N24.7Ex 24.72(BP est) -124.70(MP est) ----(BP exp) ----(MP exp) FC(PC=C)F -124.7PredN
FCPC(F)=C5352110.044C3H5F2P(fluoromethyl)(1-fluorovinyl)phosphaneN116FCPC(F)=CInChI=1S/C3H5F2P/c1-3(5)6-2-4/h6H,1-2H2InChIKey=ANINJEQIPQTGAE-UHFFFAOYSA-N33.5Ex 33.48(BP est) -121.62(MP est) ----(BP exp) ----(MP exp) FCPC(F)=C -121.6PredN
FCPC=CF5353110.044C3H5F2P(fluoromethyl)(2-fluorovinyl)phosphaneN116FCPC=CFInChI=1S/C3H5F2P/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=YVRWWCFCWNGEEK-UHFFFAOYSA-N50.6Ex 50.61(BP est) -111.30(MP est) ----(BP exp) ----(MP exp) FCPC=CF -111.3PredN
FC(P1CC1)F5354110.044C3H5F2P1-(difluoromethyl)phosphiraneN116FC(P1CC1)FInChI=1S/C3H5F2P/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=BSEKNROGUQGEHO-UHFFFAOYSA-N37.5Ex 37.52(BP est) -107.92(MP est) ----(BP exp) ----(MP exp) FC(P1CC1)F -107.9PredN
CP1C(F)(F)C15355110.044C3H5F2P2,2-difluoro-1-methylphosphiraneN116CP1C(F)(F)C1InChI=1S/C3H5F2P/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=BWZVEDGSVHTCAJ-UHFFFAOYSA-N31.9Ex 31.86(BP est) -92.24(MP est) ----(BP exp) ----(MP exp) CP1C(F)(F)C1 -92.2PredN
FC1(F)CCP15356110.044C3H5F2P2,2-difluorophosphetaneN116FC1(F)CCP1InChI=1S/C3H5F2P/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=AHMRTAUJLUKART-UHFFFAOYSA-N33.2Ex 33.22(BP est) -92.92(MP est) ----(BP exp) ----(MP exp) FC1(F)CCP1 -92.9PredN
CP1C(F)C1F5357110.044C3H5F2P2,3-difluoro-1-methylphosphiraneN116CP1C(F)C1FInChI=1S/C3H5F2P/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=GEUJEWCXGCSRNP-UHFFFAOYSA-N38.1Ex 38.13(BP est) -104.48(MP est) ----(BP exp) ----(MP exp) CP1C(F)C1F -104.5PredN
FC1C(F)CP15358110.044C3H5F2P2,3-difluorophosphetaneN116FC1C(F)CP1InChI=1S/C3H5F2P/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=YJZXTOLTHOMOOP-UHFFFAOYSA-N39.5Ex 39.48(BP est) -105.16(MP est) ----(BP exp) ----(MP exp) FC1C(F)CP1 -105.2PredN
FC1CC(F)P15359110.044C3H5F2P2,4-difluorophosphetaneN116FC1CC(F)P1InChI=1S/C3H5F2P/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=IWMKVOIKWYXSPZ-UHFFFAOYSA-N39.5Ex 39.48(BP est) -105.16(MP est) ----(BP exp) ----(MP exp) FC1CC(F)P1 -105.2PredN
FCP1C(F)C15360110.044C3H5F2P2-fluoro-1-(fluoromethyl)phosphiraneN116FCP1C(F)C1InChI=1S/C3H5F2P/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=CQZOAYLKEZWBRI-UHFFFAOYSA-N45.7Ex 45.70(BP est) -100.15(MP est) ----(BP exp) ----(MP exp) FCP1C(F)C1 -100.2PredN
FC1(F)CPC15361110.044C3H5F2P3,3-difluorophosphetaneN116FC1(F)CPC1InChI=1S/C3H5F2P/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=LOXZHXHIUVCRLE-UHFFFAOYSA-N33.2Ex 33.22(BP est) -92.92(MP est) ----(BP exp) ----(MP exp) FC1(F)CPC1 -92.9PredN
O=P(O)(CO)C5362110.049C2H7O3P(hydroxymethyl)(methyl)phosphinic acidN136O=P(O)(CO)CInChI=1S/C2H7O3P/c1-6(4,5)2-3/h3H,2H2,1H3,(H,4,5)InChIKey=FTEDGMWBHLRLNI-UHFFFAOYSA-N253.1Ex 253.05(BP est) 14.25(MP est) ----(BP exp) ----(MP exp) O=P(O)(CO)C 14.3PredN
O=P(OC)OC5363110.049C2H7O3Pdimethyl phosphonateN136O=P(OC)OCInChI=1S/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3InChIKey=HZCDANOFLILNSA-UHFFFAOYSA-N170.0Ex 131.51(BP est) -51.64(MP est) 170.50(BP exp) -60.00(MP exp) O=P(OC)OC -60ExptN
O(P(=O)O)CC5364110.049C2H7O3Pethyl hydrogen phosphonateN136O(P(=O)O)CCInChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)InChIKey=VUERQRKTYBIULR-UHFFFAOYSA-N204.7Ex 204.65(BP est) -10.99(MP est) ----(BP exp) ----(MP exp) O(P(=O)O)CC -11PredN
O=P(O)(CC)O5365110.049C2H7O3Pethylphosphonic acidN136O=P(O)(CC)OInChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)InChIKey=GATNOFPXSDHULC-UHFFFAOYSA-N265.6Ex 265.55(BP est) 17.90(MP est) ----(BP exp) ----(MP exp) O=P(O)(CC)O 17.9PredN
O=P(OC)(C)O5366110.049C2H7O3Pmethyl hydrogen methylphosphonateN136O=P(OC)(C)OInChI=1S/C2H7O3P/c1-5-6(2,3)4/h1-2H3,(H,3,4)InChIKey=DWHMMGGJCLDORC-UHFFFAOYSA-N170.0Ex 202.83(BP est) -19.71(MP est) ----(BP exp) ----(MP exp) O=P(OC)(C)O -19.7PredN
FC(POC)C5368110.068C3H8FOP(1-fluoroethyl)(methoxy)phosphaneN146FC(POC)CInChI=1S/C3H8FOP/c1-3(4)6-5-2/h3,6H,1-2H3InChIKey=KHLWKCUCJMAMJW-UHFFFAOYSA-N51.4Ex 51.38(BP est) -105.21(MP est) ----(BP exp) ----(MP exp) FC(POC)C -105.2PredN
O=P(C)C(F)C5369110.068C3H8FOP(1-fluoroethyl)(methyl)phosphine oxideN146O=P(C)C(F)CInChI=1S/C3H8FOP/c1-3(4)6(2)5/h3,6H,1-2H3InChIKey=HVSLCFIMJLGWLX-UHFFFAOYSA-N94.3Ex 94.28(BP est) -86.31(MP est) ----(BP exp) ----(MP exp) O=P(C)C(F)C -86.3PredN
FCCPOC5372110.068C3H8FOP(2-fluoroethyl)(methoxy)phosphaneN146FCCPOCInChI=1S/C3H8FOP/c1-5-6-3-2-4/h6H,2-3H2,1H3InChIKey=OATUEDCIEANZHS-UHFFFAOYSA-N66.8Ex 66.77(BP est) -93.22(MP est) ----(BP exp) ----(MP exp) FCCPOC -93.2PredN
O=P(C)CCF5373110.068C3H8FOP(2-fluoroethyl)(methyl)phosphine oxideN146O=P(C)CCFInChI=1S/C3H8FOP/c1-6(5)3-2-4/h6H,2-3H2,1H3InChIKey=ORPZAHOQTVTPFH-UHFFFAOYSA-N108.7Ex 108.73(BP est) -74.59(MP est) ----(BP exp) ----(MP exp) O=P(C)CCF -74.6PredN
CP(CF)OC5376110.068C3H8FOP(fluoromethyl)(methoxy)(methyl)phosphaneN146CP(CF)OCInChI=1S/C3H8FOP/c1-5-6(2)3-4/h3H2,1-2H3InChIKey=KTFNBZDPXLAIJL-UHFFFAOYSA-N67.8Ex 67.78(BP est) -93.61(MP est) ----(BP exp) ----(MP exp) CP(CF)OC -93.6PredN
O=P(CF)(C)C5377110.068C3H8FOP(fluoromethyl)dimethylphosphine oxideN146O=P(CF)(C)CInChI=1S/C3H8FOP/c1-6(2,5)3-4/h3H2,1-2H3InChIKey=YWJXDPMONPBKKI-UHFFFAOYSA-N106.5Ex 106.53(BP est) -83.41(MP est) ----(BP exp) ----(MP exp) O=P(CF)(C)C -83.4PredN
O=P(CF)CC5379110.068C3H8FOPethyl(fluoromethyl)phosphine oxideN146O=P(CF)CCInChI=1S/C3H8FOP/c1-2-6(5)3-4/h6H,2-3H2,1H3InChIKey=PKFSFSQAEUIEHN-UHFFFAOYSA-N108.7Ex 108.73(BP est) -74.59(MP est) ----(BP exp) ----(MP exp) O=P(CF)CC -74.6PredN
F[Si](F)(C#C)F5380110.11C2HF3SiethynyltrifluorosilaneN76F[Si](F)(C#C)FInChI=1S/C2HF3Si/c1-2-6(3,4)5/h1HInChIKey=JDWNFSGEDNRLQD-UHFFFAOYSA-N-18.3Ex -18.34(BP est) -114.31(MP est) ----(BP exp) ----(MP exp) F[Si](F)(C#C)F -114.3PredN
CP(C)(O)=S5381110.111C2H7OPSdimethylphosphinothioic O-acidN125CP(C)(O)=SInChI=1S/C2H7OPS/c1-4(2,3)5/h1-2H3,(H,3,5)InChIKey=DQIMSUZRBYLFOT-UHFFFAOYSA-N175.6Ex 175.56(BP est) -98.78(MP est) ----(BP exp) ----(MP exp) CP(C)(O)=S -98.8PredN
CSC(F)=C(F)5382110.122C3H4F2S(1,2-difluorovinyl)(methyl)sulfaneN106CSC(F)=C(F)InChI=1S/C3H4F2S/c1-6-3(5)2-4/h2H,1H3InChIKey=UCPHQZSFDYZCKG-UHFFFAOYSA-N74.0Ex 73.96(BP est) -101.76(MP est) ----(BP exp) ----(MP exp) CSC(F)=C(F) -101.8PredN
CSC=C(F)(F)5383110.122C3H4F2S(2,2-difluorovinyl)(methyl)sulfaneN106CSC=C(F)(F)InChI=1S/C3H4F2S/c1-6-2-3(4)5/h2H,1H3InChIKey=DOFNABJIHKKGNE-UHFFFAOYSA-N74.0Ex 73.96(BP est) -101.76(MP est) ----(BP exp) ----(MP exp) CSC=C(F)(F) -101.8PredN
C(F)(F)SC=C5384110.122C3H4F2S(difluoromethyl)(vinyl)sulfaneN106C(F)(F)SC=CInChI=1S/C3H4F2S/c1-2-6-3(4)5/h2-3H,1H2InChIKey=YRAMLMANZBZBOB-UHFFFAOYSA-N55.9Ex 55.93(BP est) -105.89(MP est) ----(BP exp) ----(MP exp) C(F)(F)SC=C -105.9PredN
C(F)SC(F)=C5385110.122C3H4F2S(fluoromethyl)(1-fluorovinyl)sulfaneN106C(F)SC(F)=CInChI=1S/C3H4F2S/c1-3(5)6-2-4/h1-2H2InChIKey=MQCLQARJVQHUGR-UHFFFAOYSA-N64.3Ex 64.33(BP est) -102.91(MP est) ----(BP exp) ----(MP exp) C(F)SC(F)=C -102.9PredN
C(F)SC=C(F)5386110.122C3H4F2S(fluoromethyl)(2-fluorovinyl)sulfaneN106C(F)SC=C(F)InChI=1S/C3H4F2S/c4-1-2-6-3-5/h1-2H,3H2InChIKey=UQPMCRUBEFQANQ-UHFFFAOYSA-N80.8Ex 80.75(BP est) -92.80(MP est) ----(BP exp) ----(MP exp) C(F)SC=C(F) -92.8PredN
SC(F)(F)(C=C)5387110.122C3H4F2S1,1-difluoroprop-2-ene-1-thiolN106SC(F)(F)(C=C)InChI=1S/C3H4F2S/c1-2-3(4,5)6/h2,6H,1H2InChIKey=SJYCJIAIXMCKAP-UHFFFAOYSA-N61.1Ex 61.13(BP est) -94.63(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(C=C) -94.6PredN
SC(F)(C1)(C1F)5388110.122C3H4F2S1,2-difluorocyclopropane-1-thiolN106SC(F)(C1)(C1F)InChI=1S/C3H4F2S/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=DIYUIOCAFUANOW-UHFFFAOYSA-N71.9Ex 71.90(BP est) -73.02(MP est) ----(BP exp) ----(MP exp) SC(F)(C1)(C1F) -73PredN
SC(F)(C(F)=C)5389110.122C3H4F2S1,2-difluoroprop-2-ene-1-thiolN106SC(F)(C(F)=C)InChI=1S/C3H4F2S/c1-2(4)3(5)6/h3,6H,1H2InChIKey=ZZPUQQDSKOQHRA-UHFFFAOYSA-N64.3Ex 64.26(BP est) -109.41(MP est) ----(BP exp) ----(MP exp) SC(F)(C(F)=C) -109.4PredN
SC(F)(C=CF)5390110.122C3H4F2S1,3-difluoroprop-2-ene-1-thiolN106SC(F)(C=CF)InChI=1S/C3H4F2S/c4-2-1-3(5)6/h1-3,6HInChIKey=AJZWCCBVZUBLLC-UHFFFAOYSA-N80.7Ex 80.68(BP est) -99.29(MP est) ----(BP exp) ----(MP exp) SC(F)(C=CF) -99.3PredN
FC(F)C1CS15391110.122C3H4F2S2-(difluoromethyl)thiiraneN106FC(F)C1CS1InChI=1S/C3H4F2S/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=GWRSEUPETLQDRK-UHFFFAOYSA-N59.4Ex 59.40(BP est) -73.50(MP est) ----(BP exp) ----(MP exp) FC(F)C1CS1 -73.5PredN
FC1(F)C(C)S15392110.122C3H4F2S2,2-difluoro-3-methylthiiraneN106FC1(F)C(C)S1InChI=1S/C3H4F2S/c1-2-3(4,5)6-2/h2H,1H3InChIKey=DHCCKCNOFNRCRD-UHFFFAOYSA-N53.9Ex 53.90(BP est) -57.77(MP est) ----(BP exp) ----(MP exp) FC1(F)C(C)S1 -57.8PredN
SC(C1)(C1(F)F)5393110.122C3H4F2S2,2-difluorocyclopropane-1-thiolN106SC(C1)(C1(F)F)InChI=1S/C3H4F2S/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=USVVXCMPWKTAMC-UHFFFAOYSA-N71.9Ex 71.90(BP est) -73.02(MP est) ----(BP exp) ----(MP exp) SC(C1)(C1(F)F) -73PredN
FC1(F)SCC15394110.122C3H4F2S2,2-difluorothietaneN106FC1(F)SCC1InChI=1S/C3H4F2S/c4-3(5)1-2-6-3/h1-2H2InChIKey=RWUSRIIUOUMIHN-UHFFFAOYSA-N63.6Ex 63.64(BP est) -54.57(MP est) ----(BP exp) ----(MP exp) FC1(F)SCC1 -54.6PredN
FC1C(F)(C)S15395110.122C3H4F2S2,3-difluoro-2-methylthiiraneN106FC1C(F)(C)S1InChI=1S/C3H4F2S/c1-3(5)2(4)6-3/h2H,1H3InChIKey=UDJMDZABNNNRMW-UHFFFAOYSA-N53.9Ex 53.90(BP est) -57.77(MP est) ----(BP exp) ----(MP exp) FC1C(F)(C)S1 -57.8PredN
SC(C1F)(C1F)5396110.122C3H4F2S2,3-difluorocyclopropane-1-thiolN106SC(C1F)(C1F)InChI=1S/C3H4F2S/c4-1-2(5)3(1)6/h1-3,6HInChIKey=IYXJDDFHRSBPNB-UHFFFAOYSA-N77.8Ex 77.83(BP est) -85.35(MP est) ----(BP exp) ----(MP exp) SC(C1F)(C1F) -85.4PredN
SC(C(F)=CF)5397110.122C3H4F2S2,3-difluoroprop-2-ene-1-thiolN106SC(C(F)=CF)InChI=1S/C3H4F2S/c4-1-3(5)2-6/h1,6H,2H2InChIKey=AOTAZFKHVJJKPR-UHFFFAOYSA-N88.8Ex 88.79(BP est) -96.40(MP est) ----(BP exp) ----(MP exp) SC(C(F)=CF) -96.4PredN
FC1SCC1F5398110.122C3H4F2S2,3-difluorothietaneN106FC1SCC1FInChI=1S/C3H4F2S/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=NQDOJCBWFAVZQZ-UHFFFAOYSA-N69.7Ex 69.65(BP est) -66.89(MP est) ----(BP exp) ----(MP exp) FC1SCC1F -66.9PredN
FC1CC(F)S15399110.122C3H4F2S2,4-difluorothietaneN106FC1CC(F)S1InChI=1S/C3H4F2S/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=RHUJCKOLMPEIBH-UHFFFAOYSA-N69.7Ex 69.65(BP est) -66.89(MP est) ----(BP exp) ----(MP exp) FC1CC(F)S1 -66.9PredN
FC1(CF)CS15400110.122C3H4F2S2-fluoro-2-(fluoromethyl)thiiraneN106FC1(CF)CS1InChI=1S/C3H4F2S/c4-1-3(5)2-6-3/h1-2H2InChIKey=TVZQTMQNBCDIKU-UHFFFAOYSA-N61.3Ex 61.31(BP est) -53.49(MP est) ----(BP exp) ----(MP exp) FC1(CF)CS1 -53.5PredN
FC1C(CF)S15401110.122C3H4F2S2-fluoro-3-(fluoromethyl)thiiraneN106FC1C(CF)S1InChI=1S/C3H4F2S/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=PGIYTKZUHGFXHK-UHFFFAOYSA-N67.3Ex 67.34(BP est) -65.80(MP est) ----(BP exp) ----(MP exp) FC1C(CF)S1 -65.8PredN
SC(C=C(F)F)5402110.122C3H4F2S3,3-difluoroprop-2-ene-1-thiolN106SC(C=C(F)F)InChI=1S/C3H4F2S/c4-3(5)1-2-6/h1,6H,2H2InChIKey=POVBEFSJKGLAJN-UHFFFAOYSA-N88.8Ex 88.79(BP est) -96.40(MP est) ----(BP exp) ----(MP exp) SC(C=C(F)F) -96.4PredN
FC1(F)CSC15403110.122C3H4F2S3,3-difluorothietaneN106FC1(F)CSC1InChI=1S/C3H4F2S/c4-3(5)1-6-2-3/h1-2H2InChIKey=MKQCPHAHAKMUMA-UHFFFAOYSA-N63.6Ex 63.64(BP est) -54.57(MP est) ----(BP exp) ----(MP exp) FC1(F)CSC1 -54.6PredN
CS(=O)(=O)CO5404110.127C2H6O3S(methylsulfonyl)methanolN126CS(=O)(=O)COInChI=1S/C2H6O3S/c1-6(4,5)2-3/h3H,2H2,1H3InChIKey=ICHBUPLXTAHKLA-UHFFFAOYSA-N221.7Ex 221.69(BP est) 32.87(MP est) ----(BP exp) ----(MP exp) CS(=O)(=O)CO 32.9PredN
O=S(O)C(O)C5405110.127C2H6O3S1-hydroxyethane-1-sulfinic acidN126O=S(O)C(O)CInChI=1S/C2H6O3S/c1-2(3)6(4)5/h2-3H,1H3,(H,4,5)InChIKey=MNPWBESCUAMGHN-UHFFFAOYSA-N271.9Ex 271.87(BP est) 45.43(MP est) ----(BP exp) ----(MP exp) O=S(O)C(O)C 45.4PredN
O=S(O)CCO5406110.127C2H6O3S2-hydroxyethane-1-sulfinic acidN126O=S(O)CCOInChI=1S/C2H6O3S/c3-1-2-6(4)5/h3H,1-2H2,(H,4,5)InChIKey=KBINHYOGLICIMS-UHFFFAOYSA-N286.6Ex 286.60(BP est) 57.23(MP est) ----(BP exp) ----(MP exp) O=S(O)CCO 57.2PredY(Dupre et al. 1978)
O=S(OC)OC5407110.127C2H6O3Sdimethyl sulfiteN126O=S(OC)OCInChI=1S/C2H6O3S/c1-4-6(3)5-2/h1-2H3InChIKey=BDUPRNVPXOHWIL-UHFFFAOYSA-N126.0Ex 174.30(BP est) -14.14(MP est) 126.00(BP exp) ----(MP exp) O=S(OC)OC -14.1PredN
O=S(O)(CC)=O5408110.127C2H6O3Sethanesulfonic acidN126O=S(O)(CC)=OInChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)InChIKey=CCIVGXIOQKPBKL-UHFFFAOYSA-N235.3Ex 235.34(BP est) 36.86(MP est) ----(BP exp) -17.00(MP exp) O=S(O)(CC)=O -17ExptN
O=S(O)OCC5409110.127C2H6O3Sethyl hydrogen sulfiteN126O=S(O)OCCInChI=1S/C2H6O3S/c1-2-5-6(3)4/h2H2,1H3,(H,3,4)InChIKey=VOTNXLNTNMCSTJ-UHFFFAOYSA-N241.4Ex 241.38(BP est) 24.73(MP est) ----(BP exp) ----(MP exp) O=S(O)OCC 24.7PredN
CS(=O)(OC)=O5410110.127C2H6O3Smethyl methanesulfonateN126CS(=O)(OC)=OInChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3InChIKey=MBABOKRGFJTBAE-UHFFFAOYSA-N202.0Ex 167.23(BP est) -2.32(MP est) 203.00(BP exp) 20.00(MP exp) CS(=O)(OC)=O 20ExptN
O=S(NN)(C)=O5411110.131CH6N2O2SmethanesulfonohydrazideN126O=S(NN)(C)=OInChI=1S/CH6N2O2S/c1-6(4,5)3-2/h3H,2H2,1H3InChIKey=VKHZYWVEBNIRLX-UHFFFAOYSA-N217.4Ex 217.44(BP est) 38.42(MP est) ----(BP exp) ----(MP exp) O=S(NN)(C)=O 38.4PredN
F[Si]1(O)CC1F5412110.135C2H4F2OSi1,2-difluorosiliran-1-olN106F[Si]1(O)CC1FInChI=1S/C2H4F2OSi/c3-2-1-6(2,4)5/h2,5H,1H2InChIKey=KINDRFVOEPMZIQ-UHFFFAOYSA-N75.2Ex 75.24(BP est) -29.14(MP est) ----(BP exp) ----(MP exp) F[Si]1(O)CC1F -29.1PredN
F[Si](C=C)(O)F5413110.135C2H4F2OSidifluoro(vinyl)silanolN106F[Si](C=C)(O)FInChI=1S/C2H4F2OSi/c1-2-6(3,4)5/h2,5H,1H2InChIKey=XCZCAZAGJZLKEO-UHFFFAOYSA-N85.9Ex 85.88(BP est) -78.14(MP est) ----(BP exp) ----(MP exp) F[Si](C=C)(O)F -78.1PredN
F[Si](O)(OC)C5414110.159C2H7FO2Sifluoro(methoxy)(methyl)silanolN136F[Si](O)(OC)CInChI=1S/C2H7FO2Si/c1-5-6(2,3)4/h4H,1-2H3InChIKey=RDUAJNDBHACKQF-UHFFFAOYSA-N110.4Ex 110.35(BP est) -59.29(MP est) ----(BP exp) ----(MP exp) F[Si](O)(OC)C -59.3PredN
F[Si](C)(CC)F5415110.179C3H8F2Siethyldifluoro(methyl)silaneN146F[Si](C)(CC)FInChI=1S/C3H8F2Si/c1-3-6(2,4)5/h3H2,1-2H3InChIKey=UPSARTIWFRNYEP-UHFFFAOYSA-N-3.0Ex -2.97(BP est) -127.97(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CC)F -128PredN
F[Si](C)(CF)C5416110.179C3H8F2Sifluoro(fluoromethyl)dimethylsilaneN146F[Si](C)(CF)CInChI=1S/C3H8F2Si/c1-6(2,5)3-4/h3H2,1-2H3InChIKey=UCDNNZSKBBILOY-UHFFFAOYSA-N-3.0Ex -2.97(BP est) -127.97(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CF)C -128PredN
CSS(C)=O5417110.189C2H6OS2S-methyl methanesulfinothioateN115CSS(C)=OInChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3InChIKey=RRGUMJYEQDVBFP-UHFFFAOYSA-N56.3Ex 190.62(BP est) -14.41(MP est) ----(BP exp) ----(MP exp) CSS(C)=O -14.4PredY(Schulz and Dickschat 2007, DNP 2017)
O=PC(Cl)C5419110.477C2H4ClOP(1-chloroethyl)(oxo)phosphaneN95O=PC(Cl)CInChI=1S/C2H4ClOP/c1-2(3)5-4/h2H,1H3InChIKey=BFXJFBNFXFFVOD-UHFFFAOYSA-N121.0Ex 121.03(BP est) -61.28(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)C -61.3PredN
O=PCCCl5421110.477C2H4ClOP(2-chloroethyl)(oxo)phosphaneN95O=PCCClInChI=1S/C2H4ClOP/c3-1-2-5-4/h1-2H2InChIKey=ORLNWNBHBDCKNS-UHFFFAOYSA-N147.1Ex 147.10(BP est) -46.17(MP est) ----(BP exp) ----(MP exp) O=PCCCl -46.2PredN
O=P1C(Cl)C15424110.477C2H4ClOP2-chlorophosphirane 1-oxideN95O=P1C(Cl)C1InChI=1S/C2H4ClOP/c3-2-1-5(2)4/h2,5H,1H2InChIKey=UUJPMKRGTPYBJG-UHFFFAOYSA-N134.5Ex 134.54(BP est) -47.29(MP est) ----(BP exp) ----(MP exp) O=P1C(Cl)C1 -47.3PredN
ClC(C1F)=C1F5425110.488C3HClF21-chloro-2,3-difluorocycloprop-1-eneN76ClC(C1F)=C1FInChI=1S/C3HClF2/c4-1-2(5)3(1)6/h2HInChIKey=RLIGMJGCGXCOTI-UHFFFAOYSA-N41.5Ex 41.45(BP est) -82.11(MP est) ----(BP exp) ----(MP exp) ClC(C1F)=C1F -82.1PredN
ClC1=CC1(F)F5426110.488C3HClF21-chloro-3,3-difluorocycloprop-1-eneN76ClC1=CC1(F)FInChI=1S/C3HClF2/c4-2-1-3(2,5)6/h1HInChIKey=PILQXZMLVKHZSC-UHFFFAOYSA-N29.8Ex 29.81(BP est) -79.81(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(F)F -79.8PredN
C(F)(F)(C#CCl)5427110.488C3HClF21-chloro-3,3-difluoroprop-1-yneN76C(F)(F)(C#CCl)InChI=1S/C3HClF2/c4-2-1-3(5)6/h3HInChIKey=MTVIIZLKVURCHQ-UHFFFAOYSA-N41.2Ex 41.23(BP est) -58.49(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C#CCl) -58.5PredN
FC(C1Cl)=C1F5428110.488C3HClF23-chloro-1,2-difluorocycloprop-1-eneN76FC(C1Cl)=C1FInChI=1S/C3HClF2/c4-1-2(5)3(1)6/h1HInChIKey=UBLRZGSRQXMRAP-UHFFFAOYSA-N57.8Ex 57.81(BP est) -77.33(MP est) ----(BP exp) ----(MP exp) FC(C1Cl)=C1F -77.3PredN
FC1=CC1(F)Cl5429110.488C3HClF23-chloro-1,3-difluorocycloprop-1-eneN76FC1=CC1(F)ClInChI=1S/C3HClF2/c4-3(6)1-2(3)5/h1HInChIKey=NXGGBEWVYCMROG-UHFFFAOYSA-N32.2Ex 32.16(BP est) -79.13(MP est) ----(BP exp) ----(MP exp) FC1=CC1(F)Cl -79.1PredN
C(Cl)(F)(C#CF)5430110.488C3HClF23-chloro-1,3-difluoroprop-1-yneN76C(Cl)(F)(C#CF)InChI=1S/C3HClF2/c4-3(6)1-2-5/h3HInChIKey=IDJBCMQEDWSAPF-UHFFFAOYSA-N57.6Ex 57.60(BP est) -53.71(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C#CF) -53.7PredN
C(Cl)(F)(F)(C#C)5431110.488C3HClF23-chloro-3,3-difluoroprop-1-yneN76C(Cl)(F)(F)(C#C)InChI=1S/C3HClF2/c1-2-3(4,5)6/h1HInChIKey=CUPUEOAOSJRVQX-UHFFFAOYSA-N23.2Ex 23.22(BP est) -84.60(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(F)(C#C) -84.6PredN
C(Cl)(F)OC=C5432110.512C3H4ClFO(chlorofluoromethoxy)etheneN106C(Cl)(F)OC=CInChI=1S/C3H4ClFO/c1-2-6-3(4)5/h2-3H,1H2InChIKey=JRVIXOBFENHAHR-UHFFFAOYSA-N61.2Ex 61.22(BP est) -95.76(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)OC=C -95.8PredN
C(Cl)OC(F)=C5433110.512C3H4ClFO1-(chloromethoxy)-1-fluoroetheneN106C(Cl)OC(F)=CInChI=1S/C3H4ClFO/c1-3(5)6-2-4/h1-2H2InChIKey=NBBAGLSXWKUJEN-UHFFFAOYSA-N83.2Ex 83.15(BP est) -88.84(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(F)=C -88.8PredN
C(Cl)OC=C(F)5434110.512C3H4ClFO1-(chloromethoxy)-2-fluoroetheneN106C(Cl)OC=C(F)InChI=1S/C3H4ClFO/c4-3-6-2-1-5/h1-2H,3H2InChIKey=OZASTQMCBSWMSM-UHFFFAOYSA-N99.1Ex 99.12(BP est) -78.86(MP est) ----(BP exp) ----(MP exp) C(Cl)OC=C(F) -78.9PredN
C(F)OC(Cl)=C5435110.512C3H4ClFO1-chloro-1-(fluoromethoxy)etheneN106C(F)OC(Cl)=CInChI=1S/C3H4ClFO/c1-3(4)6-2-5/h1-2H2InChIKey=HXMMCASRGUWVIU-UHFFFAOYSA-N53.5Ex 53.47(BP est) -97.51(MP est) ----(BP exp) ----(MP exp) C(F)OC(Cl)=C -97.5PredN
COC=C(Cl)(F)5436110.512C3H4ClFO1-chloro-1-fluoro-2-methoxyetheneN106COC=C(Cl)(F)InChI=1S/C3H4ClFO/c1-6-2-3(4)5/h2H,1H3InChIKey=KAAUUNNMNOPREM-UHFFFAOYSA-N63.2Ex 63.24(BP est) -96.31(MP est) ----(BP exp) ----(MP exp) COC=C(Cl)(F) -96.3PredN
OC(Cl)(F)(C=C)5437110.512C3H4ClFO1-chloro-1-fluoroprop-2-en-1-olN106OC(Cl)(F)(C=C)InChI=1S/C3H4ClFO/c1-2-3(4,5)6/h2,6H,1H2InChIKey=ILMVUWLZEJDOAJ-UHFFFAOYSA-N85.6Ex 85.60(BP est) -60.64(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(C=C) -60.6PredN
CC(=O)C(Cl)(F)5438110.512C3H4ClFO1-chloro-1-fluoropropan-2-oneN106CC(=O)C(Cl)(F)InChI=1S/C3H4ClFO/c1-2(6)3(4)5/h3H,1H3InChIKey=JTTZMEPSGTVDLS-UHFFFAOYSA-N86.0Ex 85.95(BP est) -73.81(MP est) ----(BP exp) ----(MP exp) CC(=O)C(Cl)(F) -73.8PredN
C(F)OC=C(Cl)5439110.512C3H4ClFO1-chloro-2-(fluoromethoxy)etheneN106C(F)OC=C(Cl)InChI=1S/C3H4ClFO/c4-1-2-6-3-5/h1-2H,3H2InChIKey=IFNLTIABVJIDEB-UHFFFAOYSA-N70.1Ex 70.14(BP est) -87.32(MP est) ----(BP exp) ----(MP exp) C(F)OC=C(Cl) -87.3PredN
COC(Cl)=C(F)5440110.512C3H4ClFO1-chloro-2-fluoro-1-methoxyetheneN106COC(Cl)=C(F)InChI=1S/C3H4ClFO/c1-6-3(4)2-5/h2H,1H3InChIKey=XBTZRGAFYUAYLN-UHFFFAOYSA-N63.2Ex 63.24(BP est) -96.31(MP est) ----(BP exp) ----(MP exp) COC(Cl)=C(F) -96.3PredN
OC(Cl)(C1)(C1F)5441110.512C3H4ClFO1-chloro-2-fluorocyclopropan-1-olN106OC(Cl)(C1)(C1F)InChI=1S/C3H4ClFO/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=YZUSTIREGQULMA-UHFFFAOYSA-N96.0Ex 96.00(BP est) -39.13(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C1)(C1F) -39.1PredN
OC(Cl)(C(F)=C)5442110.512C3H4ClFO1-chloro-2-fluoroprop-2-en-1-olN106OC(Cl)(C(F)=C)InChI=1S/C3H4ClFO/c1-2(5)3(4)6/h3,6H,1H2InChIKey=IWGRASFSOITJKB-UHFFFAOYSA-N112.9Ex 112.89(BP est) -68.36(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(F)=C) -68.4PredN
OC(Cl)(C=CF)5443110.512C3H4ClFO1-chloro-3-fluoroprop-2-en-1-olN106OC(Cl)(C=CF)InChI=1S/C3H4ClFO/c4-3(6)1-2-5/h1-3,6HInChIKey=LCMMYWVHTCWZMC-UHFFFAOYSA-N128.1Ex 128.13(BP est) -58.59(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C=CF) -58.6PredN
C(Cl)C(=O)C(F)5444110.512C3H4ClFO1-chloro-3-fluoropropan-2-oneN106C(Cl)C(=O)C(F)InChI=1S/C3H4ClFO/c4-1-3(6)2-5/h1-2H2InChIKey=MAQXAAMLWBWVEE-UHFFFAOYSA-N113.6Ex 113.55(BP est) -58.26(MP est) ----(BP exp) ----(MP exp) C(Cl)C(=O)C(F) -58.3PredN
ClC(F)C1CO15445110.512C3H4ClFO2-(chlorofluoromethyl)oxiraneN106ClC(F)C1CO1InChI=1S/C3H4ClFO/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=LCTOVRPQHDZKTR-UHFFFAOYSA-N73.2Ex 73.23(BP est) -80.24(MP est) ----(BP exp) ----(MP exp) ClC(F)C1CO1 -80.2PredN
FC1(CCl)CO15446110.512C3H4ClFO2-(chloromethyl)-2-fluorooxiraneN106FC1(CCl)CO1InChI=1S/C3H4ClFO/c4-1-3(5)2-6-3/h1-2H2InChIKey=TVFMTUJMJFUJLW-UHFFFAOYSA-N88.6Ex 88.59(BP est) -56.30(MP est) ----(BP exp) ----(MP exp) FC1(CCl)CO1 -56.3PredN
FC1C(CCl)O15447110.512C3H4ClFO2-(chloromethyl)-3-fluorooxiraneN106FC1C(CCl)O1InChI=1S/C3H4ClFO/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=MTVUKQSTHGLVKP-UHFFFAOYSA-N94.4Ex 94.38(BP est) -68.68(MP est) ----(BP exp) ----(MP exp) FC1C(CCl)O1 -68.7PredN
COC(F)=C(Cl)5448110.512C3H4ClFO2-chloro-1-fluoro-1-methoxyetheneN106COC(F)=C(Cl)InChI=1S/C3H4ClFO/c1-6-3(5)2-4/h2H,1H3InChIKey=LFEKRYVVMLSKNM-UHFFFAOYSA-N63.2Ex 63.24(BP est) -96.31(MP est) ----(BP exp) ----(MP exp) COC(F)=C(Cl) -96.3PredN
OC(F)(C1)(C1Cl)5449110.512C3H4ClFO2-chloro-1-fluorocyclopropan-1-olN106OC(F)(C1)(C1Cl)InChI=1S/C3H4ClFO/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=IUMUKCMJFOBLBM-UHFFFAOYSA-N109.0Ex 109.02(BP est) -35.33(MP est) ----(BP exp) ----(MP exp) OC(F)(C1)(C1Cl) -35.3PredN
OC(F)(C(Cl)=C)5450110.512C3H4ClFO2-chloro-1-fluoroprop-2-en-1-olN106OC(F)(C(Cl)=C)InChI=1S/C3H4ClFO/c1-2(4)3(5)6/h3,6H,1H2InChIKey=RXUGJUKWXCDCJC-UHFFFAOYSA-N97.8Ex 97.81(BP est) -72.76(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Cl)=C) -72.8PredN
ClC1(CF)CO15451110.512C3H4ClFO2-chloro-2-(fluoromethyl)oxiraneN106ClC1(CF)CO1InChI=1S/C3H4ClFO/c4-3(1-5)2-6-3/h1-2H2InChIKey=IJUPFZRUHURMGV-UHFFFAOYSA-N61.4Ex 61.40(BP est) -64.24(MP est) ----(BP exp) ----(MP exp) ClC1(CF)CO1 -64.2PredN
ClC1(F)C(C)O15452110.512C3H4ClFO2-chloro-2-fluoro-3-methyloxiraneN106ClC1(F)C(C)O1InChI=1S/C3H4ClFO/c1-2-3(4,5)6-2/h2H,1H3InChIKey=XWBZAEFMNIIYHM-UHFFFAOYSA-N54.0Ex 53.99(BP est) -68.52(MP est) ----(BP exp) ----(MP exp) ClC1(F)C(C)O1 -68.5PredN
OC(C1)(C1(Cl)F)5453110.512C3H4ClFO2-chloro-2-fluorocyclopropan-1-olN106OC(C1)(C1(Cl)F)InChI=1S/C3H4ClFO/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=OMRLOMBFPWQNKQ-UHFFFAOYSA-N107.2Ex 107.19(BP est) -35.87(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1(Cl)F) -35.9PredN
ClC1(F)OCC15454110.512C3H4ClFO2-chloro-2-fluorooxetaneN106ClC1(F)OCC1InChI=1S/C3H4ClFO/c4-3(5)1-2-6-3/h1-2H2InChIKey=HXAYEUAQIDNGSC-UHFFFAOYSA-N63.7Ex 63.73(BP est) -65.32(MP est) ----(BP exp) ----(MP exp) ClC1(F)OCC1 -65.3PredN
C(=O)C(Cl)(F)(C)5455110.512C3H4ClFO2-chloro-2-fluoropropanalN106C(=O)C(Cl)(F)(C)InChI=1S/C3H4ClFO/c1-3(4,5)2-6/h2H,1H3InChIKey=CTSUSQGFWHHGFP-UHFFFAOYSA-N77.1Ex 77.08(BP est) -71.66(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(F)(C) -71.7PredN
ClC1C(CF)O15456110.512C3H4ClFO2-chloro-3-(fluoromethyl)oxiraneN106ClC1C(CF)O1InChI=1S/C3H4ClFO/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=BTBPLFPYBKYADT-UHFFFAOYSA-N81.0Ex 81.01(BP est) -72.58(MP est) ----(BP exp) ----(MP exp) ClC1C(CF)O1 -72.6PredN
FC1C(Cl)(C)O15457110.512C3H4ClFO2-chloro-3-fluoro-2-methyloxiraneN106FC1C(Cl)(C)O1InChI=1S/C3H4ClFO/c1-3(4)2(5)6-3/h2H,1H3InChIKey=WJKLWHLMTUTQTO-UHFFFAOYSA-N54.0Ex 53.99(BP est) -68.52(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(C)O1 -68.5PredN
OC(C1Cl)(C1F)5458110.512C3H4ClFO2-chloro-3-fluorocyclopropan-1-olN106OC(C1Cl)(C1F)InChI=1S/C3H4ClFO/c4-1-2(5)3(1)6/h1-3,6HInChIKey=XWPHEKVRLBWALL-UHFFFAOYSA-N125.5Ex 125.49(BP est) -44.59(MP est) ----(BP exp) ----(MP exp) OC(C1Cl)(C1F) -44.6PredN
ClC1OCC1F5459110.512C3H4ClFO2-chloro-3-fluorooxetaneN106ClC1OCC1FInChI=1S/C3H4ClFO/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=FPIFYRBPPWLRPZ-UHFFFAOYSA-N83.3Ex 83.28(BP est) -73.68(MP est) ----(BP exp) ----(MP exp) ClC1OCC1F -73.7PredN
OC(C(Cl)=CF)5460110.512C3H4ClFO2-chloro-3-fluoroprop-2-en-1-olN106OC(C(Cl)=CF)InChI=1S/C3H4ClFO/c4-3(1-5)2-6/h1,6H,2H2InChIKey=FWUASQUDOBOJMT-UHFFFAOYSA-N128.6Ex 128.59(BP est) -57.94(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)=CF) -57.9PredN
C(=O)C(Cl)(CF)5461110.512C3H4ClFO2-chloro-3-fluoropropanalN106C(=O)C(Cl)(CF)InChI=1S/C3H4ClFO/c4-3(1-5)2-6/h2-3H,1H2InChIKey=YWXPKWNSWPQENV-UHFFFAOYSA-N100.1Ex 100.08(BP est) -73.65(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(CF) -73.7PredN
ClC1CC(F)O15462110.512C3H4ClFO2-chloro-4-fluorooxetaneN106ClC1CC(F)O1InChI=1S/C3H4ClFO/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=AEYWZKQBFJCQRW-UHFFFAOYSA-N83.3Ex 83.28(BP est) -73.68(MP est) ----(BP exp) ----(MP exp) ClC1CC(F)O1 -73.7PredN
OC(F)(C=CCl)5463110.512C3H4ClFO3-chloro-1-fluoroprop-2-en-1-olN106OC(F)(C=CCl)InChI=1S/C3H4ClFO/c4-2-1-3(5)6/h1-3,6HInChIKey=MUZUXAGAVHNQND-UHFFFAOYSA-N113.4Ex 113.42(BP est) -62.89(MP est) ----(BP exp) ----(MP exp) OC(F)(C=CCl) -62.9PredN
ClC1C(F)(C)O15464110.512C3H4ClFO3-chloro-2-fluoro-2-methyloxiraneN106ClC1C(F)(C)O1InChI=1S/C3H4ClFO/c1-3(5)2(4)6-3/h2H,1H3InChIKey=WPHXQFYZRPPQNY-UHFFFAOYSA-N67.8Ex 67.84(BP est) -64.48(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(C)O1 -64.5PredN
FC1OCC1Cl5465110.512C3H4ClFO3-chloro-2-fluorooxetaneN106FC1OCC1ClInChI=1S/C3H4ClFO/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=DSBYMGXKEBWMSC-UHFFFAOYSA-N83.3Ex 83.28(BP est) -73.68(MP est) ----(BP exp) ----(MP exp) FC1OCC1Cl -73.7PredN
OC(C(F)=CCl)5466110.512C3H4ClFO3-chloro-2-fluoroprop-2-en-1-olN106OC(C(F)=CCl)InChI=1S/C3H4ClFO/c4-1-3(5)2-6/h1,6H,2H2InChIKey=IJSJSUCUHRELHM-UHFFFAOYSA-N128.6Ex 128.59(BP est) -57.94(MP est) ----(BP exp) ----(MP exp) OC(C(F)=CCl) -57.9PredN
C(=O)C(F)(CCl)5467110.512C3H4ClFO3-chloro-2-fluoropropanalN106C(=O)C(F)(CCl)InChI=1S/C3H4ClFO/c4-1-3(5)2-6/h2-3H,1H2InChIKey=WZPXJIDJQITJHR-UHFFFAOYSA-N113.1Ex 113.05(BP est) -69.86(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(CCl) -69.9PredN
ClC1(F)COC15468110.512C3H4ClFO3-chloro-3-fluorooxetaneN106ClC1(F)COC1InChI=1S/C3H4ClFO/c4-3(5)1-6-2-3/h1-2H2InChIKey=VCBHVHIHSAYGEL-UHFFFAOYSA-N63.7Ex 63.73(BP est) -65.32(MP est) ----(BP exp) ----(MP exp) ClC1(F)COC1 -65.3PredN
OC(C=C(Cl)F)5469110.512C3H4ClFO3-chloro-3-fluoroprop-2-en-1-olN106OC(C=C(Cl)F)InChI=1S/C3H4ClFO/c4-3(5)1-2-6/h1,6H,2H2InChIKey=DATKDQVAWVWIAE-UHFFFAOYSA-N128.6Ex 128.59(BP est) -57.94(MP est) ----(BP exp) ----(MP exp) OC(C=C(Cl)F) -57.9PredN
C(=O)C(C(Cl)F)5470110.512C3H4ClFO3-chloro-3-fluoropropanalN106C(=O)C(C(Cl)F)InChI=1S/C3H4ClFO/c4-3(5)1-2-6/h2-3H,1H2InChIKey=LCFSSGLKMVPILV-UHFFFAOYSA-N100.1Ex 100.08(BP est) -73.65(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(Cl)F) -73.7PredN
CPC(C)Cl5471110.521C3H8ClP(1-chloroethyl)(methyl)phosphaneN135CPC(C)ClInChI=1S/C3H8ClP/c1-3(4)5-2/h3,5H,1-2H3InChIKey=OLQGSNKNSFXXBX-UHFFFAOYSA-N76.6Ex 76.62(BP est) -94.30(MP est) ----(BP exp) ----(MP exp) CPC(C)Cl -94.3PredN
CC(P)CCl5472110.521C3H8ClP(1-chloropropan-2-yl)phosphaneN135CC(P)CClInChI=1S/C3H8ClP/c1-3(5)2-4/h3H,2,5H2,1H3InChIKey=IZDRZPGGUYBPMT-UHFFFAOYSA-N110.7Ex 110.70(BP est) -76.16(MP est) ----(BP exp) ----(MP exp) CC(P)CCl -76.2PredN
ClC(P)CC5473110.521C3H8ClP(1-chloropropyl)phosphaneN135ClC(P)CCInChI=1S/C3H8ClP/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=DRNQIDNYXOXDKF-UHFFFAOYSA-N97.7Ex 97.67(BP est) -79.97(MP est) ----(BP exp) ----(MP exp) ClC(P)CC -80PredN
CPCCCl5474110.521C3H8ClP(2-chloroethyl)(methyl)phosphaneN135CPCCClInChI=1S/C3H8ClP/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=LVUMYGLFKSJUEH-UHFFFAOYSA-N104.6Ex 104.61(BP est) -78.62(MP est) ----(BP exp) ----(MP exp) CPCCCl -78.6PredN
ClC(C)(P)C5475110.521C3H8ClP(2-chloropropan-2-yl)phosphaneN135ClC(C)(P)CInChI=1S/C3H8ClP/c1-3(2,4)5/h5H2,1-2H3InChIKey=NLUNRAJTDUAGTM-UHFFFAOYSA-N74.6Ex 74.59(BP est) -77.99(MP est) ----(BP exp) ----(MP exp) ClC(C)(P)C -78PredN
ClC(C)CP5476110.521C3H8ClP(2-chloropropyl)phosphaneN135ClC(C)CPInChI=1S/C3H8ClP/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=NXUHFQBFEYFKII-UHFFFAOYSA-N97.7Ex 97.67(BP est) -79.97(MP est) ----(BP exp) ----(MP exp) ClC(C)CP -80PredN
ClCCCP5477110.521C3H8ClP(3-chloropropyl)phosphaneN135ClCCCPInChI=1S/C3H8ClP/c4-2-1-3-5/h1-3,5H2InChIKey=PTKUMHCGCMXGAD-UHFFFAOYSA-N124.8Ex 124.77(BP est) -64.55(MP est) ----(BP exp) ----(MP exp) ClCCCP -64.6PredN
ClCPCC5478110.521C3H8ClP(chloromethyl)(ethyl)phosphaneN135ClCPCCInChI=1S/C3H8ClP/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=KTEDSZVHEOJQOR-UHFFFAOYSA-N104.6Ex 104.61(BP est) -78.62(MP est) ----(BP exp) ----(MP exp) ClCPCC -78.6PredN
CP(CCl)C5479110.521C3H8ClP(chloromethyl)dimethylphosphaneN135CP(CCl)CInChI=1S/C3H8ClP/c1-5(2)3-4/h3H2,1-2H3InChIKey=JWVKOMNJXQMOFH-UHFFFAOYSA-N105.6Ex 105.57(BP est) -79.03(MP est) ----(BP exp) ----(MP exp) CP(CCl)C -79PredN
ClC(S1)=C1F5480110.53C2ClFS2-chloro-3-fluorothiireneN55ClC(S1)=C1FInChI=1S/C2ClFS/c3-1-2(4)5-1InChIKey=KCOKATBZVKCPKN-UHFFFAOYSA-N90.7Ex 90.67(BP est) -32.82(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1F -32.8PredN
OCOC(C)Cl5481110.537C3H7ClO2(1-chloroethoxy)methanolN136OCOC(C)ClInChI=1S/C3H7ClO2/c1-3(4)6-2-5/h3,5H,2H2,1H3InChIKey=HJTBJGUGWRNCKJ-UHFFFAOYSA-N149.7Ex 149.65(BP est) -38.95(MP est) ----(BP exp) ----(MP exp) OCOC(C)Cl -39PredN
OCOC(CCl)5482110.537C3H7ClO2(2-chloroethoxy)methanolN136OCOC(CCl)InChI=1S/C3H7ClO2/c4-1-2-6-3-5/h5H,1-3H2InChIKey=CULXSDBOILDMGI-UHFFFAOYSA-N174.4Ex 174.42(BP est) -24.22(MP est) ----(BP exp) ----(MP exp) OCOC(CCl) -24.2PredN
OC(OCCl)C5483110.537C3H7ClO21-(chloromethoxy)ethan-1-olN136OC(OCCl)CInChI=1S/C3H7ClO2/c1-3(5)6-2-4/h3,5H,2H2,1H3InChIKey=WQAJWQPAWMPAPT-UHFFFAOYSA-N154.5Ex 154.54(BP est) -37.52(MP est) ----(BP exp) ----(MP exp) OC(OCCl)C -37.5PredN
OC(C)(OC)Cl5484110.537C3H7ClO21-chloro-1-methoxyethan-1-olN136OC(C)(OC)ClInChI=1S/C3H7ClO2/c1-3(4,5)6-2/h5H,1-2H3InChIKey=RBBKNWIXUUMVNB-UHFFFAOYSA-N110.1Ex 110.08(BP est) -41.79(MP est) ----(BP exp) ----(MP exp) OC(C)(OC)Cl -41.8PredN
OC(COC)Cl5485110.537C3H7ClO21-chloro-2-methoxyethan-1-olN136OC(COC)ClInChI=1S/C3H7ClO2/c1-6-2-3(4)5/h3,5H,2H2,1H3InChIKey=AHEUBEATDZOZRO-UHFFFAOYSA-N142.5Ex 142.47(BP est) -41.05(MP est) ----(BP exp) ----(MP exp) OC(COC)Cl -41.1PredN
OC(C)C(O)(Cl)5486110.537C3H7ClO21-chloropropane-1,2-diolN136OC(C)C(O)(Cl)InChI=1S/C3H7ClO2/c1-2(5)3(4)6/h2-3,5-6H,1H3InChIKey=XFGDAPQOKJYPQP-UHFFFAOYSA-N180.9Ex 180.86(BP est) -18.05(MP est) ----(BP exp) ----(MP exp) OC(C)C(O)(Cl) -18.1PredN
OCCOC(Cl)5487110.537C3H7ClO22-(chloromethoxy)ethan-1-olN136OCCOC(Cl)InChI=1S/C3H7ClO2/c4-3-6-2-1-5/h5H,1-3H2InChIKey=OIYXJHJNPWEKRB-UHFFFAOYSA-N174.4Ex 174.42(BP est) -24.22(MP est) ----(BP exp) ----(MP exp) OCCOC(Cl) -24.2PredN
OC(OC)CCl5488110.537C3H7ClO22-chloro-1-methoxyethan-1-olN136OC(OC)CClInChI=1S/C3H7ClO2/c1-6-3(5)2-4/h3,5H,2H2,1H3InChIKey=WDKOEMMQZYRXJH-UHFFFAOYSA-N154.5Ex 154.54(BP est) -37.52(MP est) ----(BP exp) ----(MP exp) OC(OC)CCl -37.5PredN
OCC(OC)Cl5489110.537C3H7ClO22-chloro-2-methoxyethan-1-olN136OCC(OC)ClInChI=1S/C3H7ClO2/c1-6-3(4)2-5/h3,5H,2H2,1H3InChIKey=SCKLRAVSMCUYQE-UHFFFAOYSA-N149.7Ex 149.65(BP est) -38.95(MP est) ----(BP exp) ----(MP exp) OCC(OC)Cl -39PredN
OC(C)(Cl)C(O)5490110.537C3H7ClO22-chloropropane-1,2-diolN136OC(C)(Cl)C(O)InChI=1S/C3H7ClO2/c1-3(4,6)2-5/h5-6H,2H2,1H3InChIKey=HTTUMRADGWHWMV-UHFFFAOYSA-N170.8Ex 170.75(BP est) -4.78(MP est) ----(BP exp) ----(MP exp) OC(C)(Cl)C(O) -4.8PredN
OC(OCC)Cl5491110.537C3H7ClO2chloro(ethoxy)methanolN136OC(OCC)ClInChI=1S/C3H7ClO2/c1-2-6-3(4)5/h3,5H,2H2,1H3InChIKey=KCJSYFUFIIEWMR-UHFFFAOYSA-N142.5Ex 142.47(BP est) -41.05(MP est) ----(BP exp) ----(MP exp) OC(OCC)Cl -41.1PredN
COCOCCl5492110.537C3H7ClO2chloro(methoxymethoxy)methaneN136COCOCClInChI=1S/C3H7ClO2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=XPISZHSXDFTLCV-UHFFFAOYSA-N114.2Ex 114.17(BP est) -61.10(MP est) ----(BP exp) ----(MP exp) COCOCCl -61.1PredN
COC(OC)Cl5493110.537C3H7ClO2chlorodimethoxymethaneN136COC(OC)ClInChI=1S/C3H7ClO2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=PYBVFEDDPMPBRS-UHFFFAOYSA-N86.6Ex 86.60(BP est) -76.65(MP est) ----(BP exp) ----(MP exp) COC(OC)Cl -76.7PredN
C(C)(C)(C(Cl)F)5494110.556C4H8ClF1-chloro-1-fluoro-2-methylpropaneN146C(C)(C)(C(Cl)F)InChI=1S/C4H8ClF/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=AKKBTPGUYADKNC-UHFFFAOYSA-N46.7Ex 46.65(BP est) -112.12(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C(Cl)F) -112.1PredN
C(CCC(Cl)F)5495110.556C4H8ClF1-chloro-1-fluorobutaneN146C(CCC(Cl)F)InChI=1S/C4H8ClF/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=DUPQXMJUMBAVMO-UHFFFAOYSA-N62.1Ex 62.13(BP est) -100.10(MP est) ----(BP exp) ----(MP exp) C(CCC(Cl)F) -100.1PredN
C(F)(C)(C)(CCl)5496110.556C4H8ClF1-chloro-2-fluoro-2-methylpropaneN146C(F)(C)(C)(CCl)InChI=1S/C4H8ClF/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=HEGWXSWSSOONRC-UHFFFAOYSA-N72.0Ex 65.92(BP est) -90.28(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(CCl) -90.3PredN
C(CC(F)CCl)5497110.556C4H8ClF1-chloro-2-fluorobutaneN146C(CC(F)CCl)InChI=1S/C4H8ClF/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=PVVCDEHQXAQQDX-UHFFFAOYSA-N47.5Ex 75.87(BP est) -96.09(MP est) ----(BP exp) ----(MP exp) C(CC(F)CCl) -96.1PredN
C(C)(CCl)(CF)5498110.556C4H8ClF1-chloro-3-fluoro-2-methylpropaneN146C(C)(CCl)(CF)InChI=1S/C4H8ClF/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=SBYUDVOGIOKBKA-UHFFFAOYSA-N75.9Ex 75.87(BP est) -96.09(MP est) ----(BP exp) ----(MP exp) C(C)(CCl)(CF) -96.1PredN
C(C(F)CCCl)5499110.556C4H8ClF1-chloro-3-fluorobutaneN146C(C(F)CCCl)InChI=1S/C4H8ClF/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=KZSXOWCEZWZDDI-UHFFFAOYSA-N75.9Ex 75.87(BP est) -96.09(MP est) ----(BP exp) ----(MP exp) C(C(F)CCCl) -96.1PredN
C(Cl)(CCCF)5500110.556C4H8ClF1-chloro-4-fluorobutaneN146C(Cl)(CCCF)InChI=1S/C4H8ClF/c5-3-1-2-4-6/h1-4H2InChIKey=RYKUJAHSVIVAQV-UHFFFAOYSA-N55.0Ex 90.73(BP est) -84.25(MP est) 114.70(BP exp) ----(MP exp) C(Cl)(CCCF) -84.3PredN
C(Cl)(C)(C)(CF)5501110.556C4H8ClF2-chloro-1-fluoro-2-methylpropaneN146C(Cl)(C)(C)(CF)InChI=1S/C4H8ClF/c1-4(2,5)3-6/h3H2,1-2H3InChIKey=JGRMDWGYNRZRKD-UHFFFAOYSA-N37.8Ex 37.83(BP est) -98.48(MP est) ----(BP exp) ----(MP exp) C(Cl)(C)(C)(CF) -98.5PredN
C(CC(Cl)CF)5502110.556C4H8ClF2-chloro-1-fluorobutaneN146C(CC(Cl)CF)InChI=1S/C4H8ClF/c1-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=ATKDJEMIEAQYQI-UHFFFAOYSA-N62.1Ex 62.13(BP est) -100.10(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)CF) -100.1PredN
C(CC(Cl)(F)C)5503110.556C4H8ClF2-chloro-2-fluorobutaneN146C(CC(Cl)(F)C)InChI=1S/C4H8ClF/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=PCUALIMWIOEIPJ-UHFFFAOYSA-N67.7Ex 37.83(BP est) -98.48(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)(F)C) -98.5PredN
C(C(Cl)C(F)C)5504110.556C4H8ClF2-chloro-3-fluorobutaneN146C(C(Cl)C(F)C)InChI=1S/C4H8ClF/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=UZCSZAFBHDEEHP-UHFFFAOYSA-N46.7Ex 46.65(BP est) -112.12(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(F)C) -112.1PredN
C(C(Cl)CCF)5505110.556C4H8ClF3-chloro-1-fluorobutaneN146C(C(Cl)CCF)InChI=1S/C4H8ClF/c1-4(5)2-3-6/h4H,2-3H2,1H3InChIKey=CWYHXBVQVWTSBD-UHFFFAOYSA-N62.1Ex 62.13(BP est) -100.10(MP est) ----(BP exp) ----(MP exp) C(C(Cl)CCF) -100.1PredN
CSC(C)Cl5506110.599C3H7ClS(1-chloroethyl)(methyl)sulfaneN125CSC(C)ClInChI=1S/C3H7ClS/c1-3(4)5-2/h3H,1-2H3InChIKey=XFVMALALJWFNST-UHFFFAOYSA-N105.7Ex 105.66(BP est) -76.12(MP est) ----(BP exp) ----(MP exp) CSC(C)Cl -76.1PredN
CSCCCl5507110.599C3H7ClS(2-chloroethyl)(methyl)sulfaneN125CSCCClInChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3InChIKey=MYFKLQFBFSHBPA-UHFFFAOYSA-N132.4Ex 132.41(BP est) -60.81(MP est) ----(BP exp) ----(MP exp) CSCCCl -60.8PredN
ClCSCC5508110.599C3H7ClS(chloromethyl)(ethyl)sulfaneN125ClCSCCInChI=1S/C3H7ClS/c1-2-5-3-4/h2-3H2,1H3InChIKey=XZCHJYXUPALGHH-UHFFFAOYSA-N128.0Ex 132.41(BP est) -60.81(MP est) ----(BP exp) ----(MP exp) ClCSCC -60.8PredN
SC(CC)Cl5509110.599C3H7ClS1-chloropropane-1-thiolN125SC(CC)ClInChI=1S/C3H7ClS/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=AABRDTBRQHKNGS-UHFFFAOYSA-N119.8Ex 119.78(BP est) -70.97(MP est) ----(BP exp) ----(MP exp) SC(CC)Cl -71PredN
SC(CCl)C5510110.599C3H7ClS1-chloropropane-2-thiolN125SC(CCl)CInChI=1S/C3H7ClS/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=MFBBDMRTISGAGR-UHFFFAOYSA-N132.4Ex 132.35(BP est) -67.30(MP est) ----(BP exp) ----(MP exp) SC(CCl)C -67.3PredN
SCC(C)Cl5511110.599C3H7ClS2-chloropropane-1-thiolN125SCC(C)ClInChI=1S/C3H7ClS/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=JZJUNNIAEYQQRK-UHFFFAOYSA-N119.8Ex 119.78(BP est) -70.97(MP est) ----(BP exp) ----(MP exp) SCC(C)Cl -71PredN
SC(C)(C)Cl5512110.599C3H7ClS2-chloropropane-2-thiolN125SC(C)(C)ClInChI=1S/C3H7ClS/c1-3(2,4)5/h5H,1-2H3InChIKey=TXNKBEDPUAVRLH-UHFFFAOYSA-N97.5Ex 97.49(BP est) -68.76(MP est) ----(BP exp) ----(MP exp) SC(C)(C)Cl -68.8PredN
SCCCCl5513110.599C3H7ClS3-chloropropane-1-thiolN125SCCCClInChI=1S/C3H7ClS/c4-2-1-3-5/h5H,1-3H2InChIKey=TZCFWOHAWRIQGF-UHFFFAOYSA-N145.4Ex 145.91(BP est) -55.84(MP est) ----(BP exp) ----(MP exp) SCCCCl -55.8PredN
ClC(O1)=C1Cl5515110.921C2Cl2O2,3-dichlorooxireneN55ClC(O1)=C1ClInChI=1S/C2Cl2O/c3-1-2(4)5-1InChIKey=GCYHHUAXGQOXPH-UHFFFAOYSA-N88.6Ex 88.59(BP est) -44.20(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1Cl -44.2PredN
OCBr5516110.938CH3BrObromomethanolN63OCBrInChI=1S/CH3BrO/c2-1-3/h3H,1H2InChIKey=OEDMOCYNWLHUDP-UHFFFAOYSA-N119.6Ex 119.57(BP est) -47.68(MP est) ----(BP exp) ----(MP exp) OCBr -47.7PredN
ClC1(Cl)CC15517110.965C3H4Cl21,1-dichlorocyclopropaneN95ClC1(Cl)CC1InChI=1S/C3H4Cl2/c4-3(5)1-2-3/h1-2H2InChIKey=MZJYQXPULRLGCA-UHFFFAOYSA-N75.3Ex 66.99(BP est) -61.23(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CC1 -61.2PredN
CC=C(Cl)Cl5518110.965C3H4Cl21,1-dichloroprop-1-eneN95CC=C(Cl)ClInChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3InChIKey=ZAIDIVBQUMFXEC-UHFFFAOYSA-N76.0Ex 72.39(BP est) -90.09(MP est) 76.50(BP exp) ----(MP exp) CC=C(Cl)Cl -90.1PredN
ClC1CC1Cl5519110.965C3H4Cl21,2-dichlorocyclopropaneN95ClC1CC1ClInChI=1S/C3H4Cl2/c4-2-1-3(2)5/h2-3H,1H2InChIKey=YYQKBUMQNFGUGI-UHFFFAOYSA-N87.1Ex 99.66(BP est) -65.76(MP est) ----(BP exp) ----(MP exp) ClC1CC1Cl -65.8PredN
CC(Cl)=CCl5520110.965C3H4Cl21,2-dichloroprop-1-eneN95CC(Cl)=CClInChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3InChIKey=PPKPKFIWDXDAGC-UHFFFAOYSA-N84.5Ex 72.39(BP est) -90.09(MP est) ----(BP exp) ----(MP exp) CC(Cl)=CCl -90.1PredN
ClCC=CCl5521110.965C3H4Cl21,3-dichloroprop-1-eneN95ClCC=CClInChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2InChIKey=UOORRWUZONOOLO-UHFFFAOYSA-N106.1Ex 107.80(BP est) -72.77(MP est) 112.00(BP exp) -50.00(MP exp) ClCC=CCl -50ExptN
ClCC(Cl)=C5522110.965C3H4Cl22,3-dichloroprop-1-eneN95ClCC(Cl)=CInChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2InChIKey=FALCMQXTWHPRIH-UHFFFAOYSA-N93.1Ex 92.04(BP est) -82.69(MP est) 94.00(BP exp) 10.00(MP exp) ClCC(Cl)=C 10ExptN
ClC(C=C)Cl5523110.965C3H4Cl23,3-dichloroprop-1-eneN95ClC(C=C)ClInChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2InChIKey=VRTNIWBNFSHDEB-UHFFFAOYSA-N84.4Ex 86.11(BP est) -84.95(MP est) 84.40(BP exp) ----(MP exp) ClC(C=C)Cl -85PredN
O=P(O)(CN)O5525111.037CH6NO3P(aminomethyl)phosphonic acidN126O=P(O)(CN)OInChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)InChIKey=MGRVRXRGTBOSHW-UHFFFAOYSA-N291.9Ex 291.85(BP est) 61.58(MP est) ----(BP exp) ----(MP exp) O=P(O)(CN)O 61.6PredN
NP(N)(N)=S5526111.103H6N3PSphosphorothioic triamideN115NP(N)(N)=SInChI=1S/H6N3PS/c1-4(2,3)5/h(H6,1,2,3,5)InChIKey=JLYVRXJEQTZZBE-UHFFFAOYSA-N209.1Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) NP(N)(N)=S 90.3PredN
O=S(O)(CN)=O5527111.115CH5NO3Saminomethanesulfonic acidN116O=S(O)(CN)=OInChI=1S/CH5NO3S/c2-1-6(3,4)5/h1-2H2,(H,3,4,5)InChIKey=OBESRABRARNZJB-UHFFFAOYSA-N264.2Ex 264.23(BP est) 60.95(MP est) ----(BP exp) ----(MP exp) O=S(O)(CN)=O 61PredN
COS(=O)(=O)N5528111.115CH5NO3Smethyl sulfamateN116COS(=O)(=O)NInChI=1S/CH5NO3S/c1-5-6(2,3)4/h1H3,(H2,2,3,4)InChIKey=FIYXUOWXHWJDAM-UHFFFAOYSA-N201.3Ex 201.26(BP est) 30.35(MP est) ----(BP exp) ----(MP exp) COS(=O)(=O)N 30.4PredN
O=S(NC)(O)=O5529111.115CH5NO3Smethylsulfamic acidN116O=S(NC)(O)=OInChI=1S/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)InChIKey=MYMDOKBFMTVEGE-UHFFFAOYSA-N250.9Ex 250.86(BP est) 52.33(MP est) ----(BP exp) ----(MP exp) O=S(NC)(O)=O 52.3PredN
O=S(NO)(C)=O5530111.115CH5NO3SN-hydroxymethanesulfonamideN116O=S(NO)(C)=OInChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3InChIKey=YKSVNSKYIUPAKW-UHFFFAOYSA-N250.9Ex 250.86(BP est) 52.33(MP est) ----(BP exp) ----(MP exp) O=S(NO)(C)=O 52.3PredN
O=S(=O)(ON)C5531111.115CH5NO3SO-(methylsulfonyl)hydroxylamineN116O=S(=O)(ON)CInChI=1S/CH5NO3S/c1-6(3,4)5-2/h2H2,1H3InChIKey=NHCGQXPQGHFCPN-UHFFFAOYSA-N201.3Ex 201.26(BP est) 30.35(MP est) ----(BP exp) ----(MP exp) O=S(=O)(ON)C 30.4PredN
ClC(C(N)=O)F5532111.5C2H3ClFNO2-chloro-2-fluoroacetamideN96ClC(C(N)=O)FInChI=1S/C2H3ClFNO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=BUIKMFCMUJNGDU-UHFFFAOYSA-N210.3Ex 210.25(BP est) 29.27(MP est) ----(BP exp) ----(MP exp) ClC(C(N)=O)F 29.3PredN
ClC1(F)N(O)C15533111.5C2H3ClFNO2-chloro-2-fluoroaziridin-1-olN96ClC1(F)N(O)C1InChI=1S/C2H3ClFNO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=LKKNBOMPRBNFBY-UHFFFAOYSA-N204.8Ex 204.82(BP est) 22.11(MP est) ----(BP exp) ----(MP exp) ClC1(F)N(O)C1 22.1PredN
ClC1(F)NOC15534111.5C2H3ClFNO3-chloro-3-fluoro-1,2-oxazetidineN96ClC1(F)NOC1InChI=1S/C2H3ClFNO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=BYDSKTWJDKCTOW-UHFFFAOYSA-N103.4Ex 103.44(BP est) -6.85(MP est) ----(BP exp) ----(MP exp) ClC1(F)NOC1 -6.9PredN
ClC1NOC1F5535111.5C2H3ClFNO3-chloro-4-fluoro-1,2-oxazetidineN96ClC1NOC1FInChI=1S/C2H3ClFNO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=NAQFJVVZVGBILC-UHFFFAOYSA-N121.9Ex 121.85(BP est) -15.54(MP est) ----(BP exp) ----(MP exp) ClC1NOC1F -15.5PredN
FC1NOC1Cl5536111.5C2H3ClFNO4-chloro-3-fluoro-1,2-oxazetidineN96FC1NOC1ClInChI=1S/C2H3ClFNO/c3-1-2(4)5-6-1/h1-2,5HInChIKey=CTTNLGQQDSYHGZ-UHFFFAOYSA-N121.9Ex 121.85(BP est) -15.54(MP est) ----(BP exp) ----(MP exp) FC1NOC1Cl -15.5PredN
ClC1(F)CNO15537111.5C2H3ClFNO4-chloro-4-fluoro-1,2-oxazetidineN96ClC1(F)CNO1InChI=1S/C2H3ClFNO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=JFZBOULCJZAUDX-UHFFFAOYSA-N103.4Ex 103.44(BP est) -6.85(MP est) ----(BP exp) ----(MP exp) ClC1(F)CNO1 -6.9PredN
NOC(Cl)=CF5538111.5C2H3ClFNOO-(1-chloro-2-fluorovinyl)hydroxylamineN96NOC(Cl)=CFInChI=1S/C2H3ClFNO/c3-2(1-4)6-5/h1H,5H2InChIKey=PGTIKXALRGGNHH-UHFFFAOYSA-N103.9Ex 103.91(BP est) -48.44(MP est) ----(BP exp) ----(MP exp) NOC(Cl)=CF -48.4PredN
NOC(F)=CCl5539111.5C2H3ClFNOO-(2-chloro-1-fluorovinyl)hydroxylamineN96NOC(F)=CClInChI=1S/C2H3ClFNO/c3-1-2(4)6-5/h1H,5H2InChIKey=AVKNYKFYOXJCSW-UHFFFAOYSA-N103.9Ex 103.91(BP est) -48.44(MP est) ----(BP exp) ----(MP exp) NOC(F)=CCl -48.4PredN
NOC=C(F)Cl5540111.5C2H3ClFNOO-(2-chloro-2-fluorovinyl)hydroxylamineN96NOC=C(F)ClInChI=1S/C2H3ClFNO/c3-2(4)1-6-5/h1H,5H2InChIKey=RBSFHASTPNYISZ-UHFFFAOYSA-N103.9Ex 103.91(BP est) -48.44(MP est) ----(BP exp) ----(MP exp) NOC=C(F)Cl -48.4PredN
CN(C)C(Cl)(F)5541111.544C3H7ClFN1-chloro-1-fluoro-N,N-dimethylmethanamineN136CN(C)C(Cl)(F)InChI=1S/C3H7ClFN/c1-6(2)3(4)5/h3H,1-2H3InChIKey=PEWMPWMABDGRSB-UHFFFAOYSA-N61.4Ex 61.42(BP est) -89.70(MP est) ----(BP exp) ----(MP exp) CN(C)C(Cl)(F) -89.7PredN
CNC(Cl)(F)(C)5542111.544C3H7ClFN1-chloro-1-fluoro-N-methylethan-1-amineN136CNC(Cl)(F)(C)InChI=1S/C3H7ClFN/c1-3(4,5)6-2/h6H,1-2H3InChIKey=BIUUZTZBRLUSHK-UHFFFAOYSA-N60.3Ex 60.33(BP est) -71.22(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(F)(C) -71.2PredN
NC(Cl)(F)(CC)5543111.544C3H7ClFN1-chloro-1-fluoropropan-1-amineN136NC(Cl)(F)(CC)InChI=1S/C3H7ClFN/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=UYKQMMMKIYONEW-UHFFFAOYSA-N80.0Ex 79.97(BP est) -50.18(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(CC) -50.2PredN
NC(C)(C(Cl)F)5544111.544C3H7ClFN1-chloro-1-fluoropropan-2-amineN136NC(C)(C(Cl)F)InChI=1S/C3H7ClFN/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=CFTGPKSJFSRNPZ-UHFFFAOYSA-N88.3Ex 88.29(BP est) -63.97(MP est) ----(BP exp) ----(MP exp) NC(C)(C(Cl)F) -64PredN
CNC(Cl)(CF)5545111.544C3H7ClFN1-chloro-2-fluoro-N-methylethan-1-amineN136CNC(Cl)(CF)InChI=1S/C3H7ClFN/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=JNANMWNDOIRBAT-UHFFFAOYSA-N83.9Ex 83.89(BP est) -73.05(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(CF) -73.1PredN
NC(Cl)(C(F)C)5546111.544C3H7ClFN1-chloro-2-fluoropropan-1-amineN136NC(Cl)(C(F)C)InChI=1S/C3H7ClFN/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=LBLMPGRVYQUBEJ-UHFFFAOYSA-N88.3Ex 88.29(BP est) -63.97(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(F)C) -64PredN
NC(F)(C)(CCl)5547111.544C3H7ClFN1-chloro-2-fluoropropan-2-amineN136NC(F)(C)(CCl)InChI=1S/C3H7ClFN/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=ZMFBRNKVRWXNFF-UHFFFAOYSA-N106.4Ex 106.43(BP est) -42.46(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(CCl) -42.5PredN
NC(Cl)(CCF)5548111.544C3H7ClFN1-chloro-3-fluoropropan-1-amineN136NC(Cl)(CCF)InChI=1S/C3H7ClFN/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=IYSGDHOSWWTTSQ-UHFFFAOYSA-N102.9Ex 102.87(BP est) -52.21(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CCF) -52.2PredN
NC(CCl)(CF)5549111.544C3H7ClFN1-chloro-3-fluoropropan-2-amineN136NC(CCl)(CF)InChI=1S/C3H7ClFN/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=PNZPXJKUBLTROV-UHFFFAOYSA-N115.8Ex 115.79(BP est) -48.44(MP est) ----(BP exp) ----(MP exp) NC(CCl)(CF) -48.4PredN
C(F)NC(Cl)(C)5550111.544C3H7ClFN1-chloro-N-(fluoromethyl)ethan-1-amineN136C(F)NC(Cl)(C)InChI=1S/C3H7ClFN/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=NJSJFTHPELFLJN-UHFFFAOYSA-N83.9Ex 83.89(BP est) -73.05(MP est) ----(BP exp) ----(MP exp) C(F)NC(Cl)(C) -73.1PredN
CN(C(Cl))C(F)5551111.544C3H7ClFN1-chloro-N-(fluoromethyl)-N-methylmethanamineN136CN(C(Cl))C(F)InChI=1S/C3H7ClFN/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=VYBOKFVWYFRGBQ-UHFFFAOYSA-N90.0Ex 90.04(BP est) -73.85(MP est) ----(BP exp) ----(MP exp) CN(C(Cl))C(F) -73.9PredN
CNC(F)(CCl)5552111.544C3H7ClFN2-chloro-1-fluoro-N-methylethan-1-amineN136CNC(F)(CCl)InChI=1S/C3H7ClFN/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=OXFKEELJYBZIHM-UHFFFAOYSA-N97.2Ex 97.19(BP est) -69.17(MP est) ----(BP exp) ----(MP exp) CNC(F)(CCl) -69.2PredN
NC(F)(C(Cl)C)5553111.544C3H7ClFN2-chloro-1-fluoropropan-1-amineN136NC(F)(C(Cl)C)InChI=1S/C3H7ClFN/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=DRBRNMOXJCJQPS-UHFFFAOYSA-N88.3Ex 88.29(BP est) -63.97(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Cl)C) -64PredN
NC(Cl)(C)(CF)5554111.544C3H7ClFN2-chloro-1-fluoropropan-2-amineN136NC(Cl)(C)(CF)InChI=1S/C3H7ClFN/c1-3(4,6)2-5/h2,6H2,1H3InChIKey=CAKGBSSDHIIJHN-UHFFFAOYSA-N80.0Ex 79.97(BP est) -50.18(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C)(CF) -50.2PredN
CNC(C(Cl)F)5555111.544C3H7ClFN2-chloro-2-fluoro-N-methylethan-1-amineN136CNC(C(Cl)F)InChI=1S/C3H7ClFN/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=ZBFUELRLFNFTDT-UHFFFAOYSA-N83.9Ex 83.89(BP est) -73.05(MP est) ----(BP exp) ----(MP exp) CNC(C(Cl)F) -73.1PredN
NC(C(Cl)(F)C)5556111.544C3H7ClFN2-chloro-2-fluoropropan-1-amineN136NC(C(Cl)(F)C)InChI=1S/C3H7ClFN/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=JGZXKCLQZTXVLP-UHFFFAOYSA-N80.0Ex 79.97(BP est) -50.18(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)(F)C) -50.2PredN
NC(C(Cl)CF)5557111.544C3H7ClFN2-chloro-3-fluoropropan-1-amineN136NC(C(Cl)CF)InChI=1S/C3H7ClFN/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=VDFOXUCOTTVDII-UHFFFAOYSA-N102.9Ex 102.87(BP est) -52.21(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)CF) -52.2PredN
C(F)NC(CCl)5558111.544C3H7ClFN2-chloro-N-(fluoromethyl)ethan-1-amineN136C(F)NC(CCl)InChI=1S/C3H7ClFN/c4-1-2-6-3-5/h6H,1-3H2InChIKey=PEOSCDJRUOIWNC-UHFFFAOYSA-N111.6Ex 111.58(BP est) -57.47(MP est) ----(BP exp) ----(MP exp) C(F)NC(CCl) -57.5PredN
NC(F)(CCCl)5559111.544C3H7ClFN3-chloro-1-fluoropropan-1-amineN136NC(F)(CCCl)InChI=1S/C3H7ClFN/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=DEPZXQHBEJXDPX-UHFFFAOYSA-N115.8Ex 115.79(BP est) -48.44(MP est) ----(BP exp) ----(MP exp) NC(F)(CCCl) -48.4PredN
NC(C(F)CCl)5560111.544C3H7ClFN3-chloro-2-fluoropropan-1-amineN136NC(C(F)CCl)InChI=1S/C3H7ClFN/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=ZAUJXWZMAWANLQ-UHFFFAOYSA-N115.8Ex 115.79(BP est) -48.44(MP est) ----(BP exp) ----(MP exp) NC(C(F)CCl) -48.4PredN
NC(CC(Cl)F)5561111.544C3H7ClFN3-chloro-3-fluoropropan-1-amineN136NC(CC(Cl)F)InChI=1S/C3H7ClFN/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=MWGJTIPGYLMGBY-UHFFFAOYSA-N102.9Ex 102.87(BP est) -52.21(MP est) ----(BP exp) ----(MP exp) NC(CC(Cl)F) -52.2PredN
C(Cl)(F)NC(C)5562111.544C3H7ClFNN-(chlorofluoromethyl)ethanamineN136C(Cl)(F)NC(C)InChI=1S/C3H7ClFN/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=VZQZPVTWCVQXGG-UHFFFAOYSA-N83.9Ex 83.89(BP est) -73.05(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)NC(C) -73.1PredN
C(Cl)NC(F)(C)5563111.544C3H7ClFNN-(chloromethyl)-1-fluoroethan-1-amineN136C(Cl)NC(F)(C)InChI=1S/C3H7ClFN/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=PWJBERUTMFGCBQ-UHFFFAOYSA-N97.2Ex 97.19(BP est) -69.17(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(F)(C) -69.2PredN
C(Cl)NC(CF)5564111.544C3H7ClFNN-(chloromethyl)-2-fluoroethan-1-amineN136C(Cl)NC(CF)InChI=1S/C3H7ClFN/c4-3-6-2-1-5/h6H,1-3H2InChIKey=OAJSCUICYORKAB-UHFFFAOYSA-N111.6Ex 111.58(BP est) -57.47(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(CF) -57.5PredN
ClC1(Cl)CN15565111.953C2H3Cl2N2,2-dichloroaziridineN85ClC1(Cl)CN1InChI=1S/C2H3Cl2N/c3-2(4)1-5-2/h5H,1H2InChIKey=JMUSVIKQIVQSPX-UHFFFAOYSA-N106.5Ex 106.51(BP est) -2.81(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CN1 -2.8PredN
ClC1C(Cl)N15566111.953C2H3Cl2N2,3-dichloroaziridineN85ClC1C(Cl)N1InChI=1S/C2H3Cl2N/c3-1-2(4)5-1/h1-2,5HInChIKey=CJRZKSZFBIYQNU-UHFFFAOYSA-N137.3Ex 137.25(BP est) -7.91(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)N1 -7.9PredN
O=PC(C)(F)F5567112.016C2H3F2OP(1,1-difluoroethyl)(oxo)phosphaneN96O=PC(C)(F)FInChI=1S/C2H3F2OP/c1-2(3,4)6-5/h1H3InChIKey=WDMIVHDVEVENDP-UHFFFAOYSA-N64.4Ex 64.39(BP est) -83.48(MP est) ----(BP exp) ----(MP exp) O=PC(C)(F)F -83.5PredN
O=PC(F)CF5568112.016C2H3F2OP(1,2-difluoroethyl)(oxo)phosphaneN96O=PC(F)CFInChI=1S/C2H3F2OP/c3-1-2(4)6-5/h2H,1H2InChIKey=BTSQYPBYXNWXBA-UHFFFAOYSA-N74.4Ex 74.35(BP est) -89.28(MP est) ----(BP exp) ----(MP exp) O=PC(F)CF -89.3PredN
O=PCC(F)F5570112.016C2H3F2OP(2,2-difluoroethyl)(oxo)phosphaneN96O=PCC(F)FInChI=1S/C2H3F2OP/c3-2(4)1-6-5/h2H,1H2InChIKey=TYTUACPNTKVJRM-UHFFFAOYSA-N74.4Ex 74.35(BP est) -89.28(MP est) ----(BP exp) ----(MP exp) O=PCC(F)F -89.3PredN
O=P1C(F)(F)C15573112.016C2H3F2OP2,2-difluorophosphirane 1-oxideN96O=P1C(F)(F)C1InChI=1S/C2H3F2OP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=YMCFNZRFHAIFQK-UHFFFAOYSA-N75.9Ex 75.88(BP est) -66.84(MP est) ----(BP exp) ----(MP exp) O=P1C(F)(F)C1 -66.8PredN
O=P1C(F)C1F5575112.016C2H3F2OP2,3-difluorophosphirane 1-oxideN96O=P1C(F)C1FInChI=1S/C2H3F2OP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=PPOKFBQOKMSKTN-UHFFFAOYSA-N81.8Ex 81.78(BP est) -79.19(MP est) ----(BP exp) ----(MP exp) O=P1C(F)C1F -79.2PredN
O=P(O)(CO)O5576112.021CH5O4P(hydroxymethyl)phosphonic acidN116O=P(O)(CO)OInChI=1S/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)InChIKey=GTTBQSNGUYHPNK-UHFFFAOYSA-N307.9Ex 307.91(BP est) 55.04(MP est) ----(BP exp) ----(MP exp) O=P(O)(CO)O 55PredY(Metcalf and van der Donk 2009)
O=P(O)(O)OC5577112.021CH5O4Pmethyl dihydrogen phosphateN116O=P(O)(O)OCInChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)InChIKey=CAAULPUQFIIOTL-UHFFFAOYSA-N266.2Ex 266.20(BP est) 23.57(MP est) ----(BP exp) ----(MP exp) O=P(O)(O)OC 23.6PredY(Schomburg et al. 2002)
O=P(C(F)C)O5578112.04C2H6FO2P(1-fluoroethyl)phosphinic acidN126O=P(C(F)C)OInChI=1S/C2H6FO2P/c1-2(3)6(4)5/h2,6H,1H3,(H,4,5)InChIKey=HEXLVWOPBZDZKE-UHFFFAOYSA-N173.2Ex 173.16(BP est) -38.50(MP est) ----(BP exp) ----(MP exp) O=P(C(F)C)O -38.5PredN
O=P(CCF)O5580112.04C2H6FO2P(2-fluoroethyl)phosphinic acidN126O=P(CCF)OInChI=1S/C2H6FO2P/c3-1-2-6(4)5/h6H,1-2H2,(H,4,5)InChIKey=OKGIDAYTCRVLDG-UHFFFAOYSA-N185.7Ex 185.72(BP est) -27.34(MP est) ----(BP exp) ----(MP exp) O=P(CCF)O -27.3PredN
O=P(O)(C)CF5582112.04C2H6FO2P(fluoromethyl)(methyl)phosphinic acidN126O=P(O)(C)CFInChI=1S/C2H6FO2P/c1-6(4,5)2-3/h2H2,1H3,(H,4,5)InChIKey=MFDVGAQYLCQFSB-UHFFFAOYSA-N183.8Ex 183.81(BP est) -36.08(MP est) ----(BP exp) ----(MP exp) O=P(O)(C)CF -36.1PredN
O=P(CF)OC5583112.04C2H6FO2Pmethyl (fluoromethyl)phosphinateN126O=P(CF)OCInChI=1S/C2H6FO2P/c1-5-6(4)2-3/h6H,2H2,1H3InChIKey=AVSQJKXOPNIOIJ-UHFFFAOYSA-N109.6Ex 109.64(BP est) -68.84(MP est) ----(BP exp) ----(MP exp) O=P(CF)OC -68.8PredN
CPC(C)(F)F5585112.06C3H7F2P(1,1-difluoroethyl)(methyl)phosphaneN136CPC(C)(F)FInChI=1S/C3H7F2P/c1-3(4,5)6-2/h6H,1-2H3InChIKey=ZMAWAGZFRNNQLV-UHFFFAOYSA-N16.1Ex 16.09(BP est) -117.63(MP est) ----(BP exp) ----(MP exp) CPC(C)(F)F -117.6PredN
PC(CC)(F)F5586112.06C3H7F2P(1,1-difluoropropyl)phosphaneN136PC(CC)(F)FInChI=1S/C3H7F2P/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=LYGBOYKHRIVYSP-UHFFFAOYSA-N39.0Ex 38.95(BP est) -102.77(MP est) ----(BP exp) ----(MP exp) PC(CC)(F)F -102.8PredN
CPC(F)CF5587112.06C3H7F2P(1,2-difluoroethyl)(methyl)phosphaneN136CPC(F)CFInChI=1S/C3H7F2P/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=ONUDSVMMWSRKDK-UHFFFAOYSA-N26.7Ex 26.72(BP est) -123.24(MP est) ----(BP exp) ----(MP exp) CPC(F)CF -123.2PredN
PC(F)C(F)C5588112.06C3H7F2P(1,2-difluoropropyl)phosphaneN136PC(F)C(F)CInChI=1S/C3H7F2P/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=CJQSRASWUHGGDC-UHFFFAOYSA-N33.5Ex 33.52(BP est) -120.57(MP est) ----(BP exp) ----(MP exp) PC(F)C(F)C -120.6PredN
PC(F)CCF5589112.06C3H7F2P(1,3-difluoropropyl)phosphaneN136PC(F)CCFInChI=1S/C3H7F2P/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=SYLUOVSVDQTYLE-UHFFFAOYSA-N49.3Ex 49.27(BP est) -108.47(MP est) ----(BP exp) ----(MP exp) PC(F)CCF -108.5PredN
FCPC(F)C5590112.06C3H7F2P(1-fluoroethyl)(fluoromethyl)phosphaneN136FCPC(F)CInChI=1S/C3H7F2P/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=SVMZPDUMBXMIRM-UHFFFAOYSA-N26.7Ex 26.72(BP est) -123.24(MP est) ----(BP exp) ----(MP exp) FCPC(F)C -123.2PredN
CPCC(F)F5591112.06C3H7F2P(2,2-difluoroethyl)(methyl)phosphaneN136CPCC(F)FInChI=1S/C3H7F2P/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=BKQWJMOBCONDHU-UHFFFAOYSA-N26.7Ex 26.72(BP est) -123.24(MP est) ----(BP exp) ----(MP exp) CPCC(F)F -123.2PredN
PCC(C)(F)F5592112.06C3H7F2P(2,2-difluoropropyl)phosphaneN136PCC(C)(F)FInChI=1S/C3H7F2P/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=UYRKFACUNYANPO-UHFFFAOYSA-N39.0Ex 38.95(BP est) -102.77(MP est) ----(BP exp) ----(MP exp) PCC(C)(F)F -102.8PredN
PCC(F)CF5593112.06C3H7F2P(2,3-difluoropropyl)phosphaneN136PCC(F)CFInChI=1S/C3H7F2P/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=MRZGGRIKFKTMLD-UHFFFAOYSA-N49.3Ex 49.27(BP est) -108.47(MP est) ----(BP exp) ----(MP exp) PCC(F)CF -108.5PredN
FCPCCF5594112.06C3H7F2P(2-fluoroethyl)(fluoromethyl)phosphaneN136FCPCCFInChI=1S/C3H7F2P/c4-1-2-6-3-5/h6H,1-3H2InChIKey=JTJNZJFDMKLZCU-UHFFFAOYSA-N42.6Ex 42.61(BP est) -111.10(MP est) ----(BP exp) ----(MP exp) FCPCCF -111.1PredN
PCCC(F)F5595112.06C3H7F2P(3,3-difluoropropyl)phosphaneN136PCCC(F)FInChI=1S/C3H7F2P/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=MZKQVHWMAGCULT-UHFFFAOYSA-N49.3Ex 49.27(BP est) -108.47(MP est) ----(BP exp) ----(MP exp) PCCC(F)F -108.5PredN
FC(PCC)F5596112.06C3H7F2P(difluoromethyl)(ethyl)phosphaneN136FC(PCC)FInChI=1S/C3H7F2P/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=QVTZKRNJPIBPNY-UHFFFAOYSA-N26.7Ex 26.72(BP est) -123.24(MP est) ----(BP exp) ----(MP exp) FC(PCC)F -123.2PredN
CP(C)C(F)F5597112.06C3H7F2P(difluoromethyl)dimethylphosphaneN136CP(C)C(F)FInChI=1S/C3H7F2P/c1-6(2)3(4)5/h3H,1-2H3InChIKey=SUMRIRQPDHTSAF-UHFFFAOYSA-N27.8Ex 27.78(BP est) -123.61(MP est) ----(BP exp) ----(MP exp) CP(C)C(F)F -123.6PredN
CP(CF)CF5598112.06C3H7F2Pbis(fluoromethyl)(methyl)phosphaneN136CP(CF)CFInChI=1S/C3H7F2P/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=QOAXOMNJYFFZKA-UHFFFAOYSA-N43.7Ex 43.66(BP est) -111.48(MP est) ----(BP exp) ----(MP exp) CP(CF)CF -111.5PredN
CP(=S)(O)O5599112.083CH5O2PSmethylphosphonothioic O,O-acidN105CP(=S)(O)OInChI=1S/CH5O2PS/c1-4(2,3)5/h1H3,(H2,2,3,5)InChIKey=WXJXBKBJAKPJRN-UHFFFAOYSA-N243.1Ex 243.14(BP est) -54.28(MP est) ----(BP exp) ----(MP exp) CP(=S)(O)O -54.3PredN
NP(N)(O)=S5600112.087H5N2OPSphosphorodiamidothioic O-acidN105NP(N)(O)=SInChI=1S/H5N2OPS/c1-4(2,3)5/h(H5,1,2,3,5)InChIKey=JADWVLYMWVNVAN-UHFFFAOYSA-N185.6Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) NP(N)(O)=S 90.3PredN
NC(N(F)F)=S5601112.098CH2F2N2S1,1-difluorothioureaN86NC(N(F)F)=SInChI=1S/CH2F2N2S/c2-5(3)1(4)6/h(H2,4,6)InChIKey=WDCBSEJHEYXQFV-UHFFFAOYSA-N124.6Ex 124.60(BP est) -8.70(MP est) ----(BP exp) ----(MP exp) NC(N(F)F)=S -8.7PredN
FNC(NF)=S5602112.098CH2F2N2S1,3-difluorothioureaN86FNC(NF)=SInChI=1S/CH2F2N2S/c2-4-1(6)5-3/h(H2,4,5,6)InChIKey=MOAWPRIJVOYOFD-UHFFFAOYSA-N127.3Ex 127.26(BP est) -13.13(MP est) ----(BP exp) ----(MP exp) FNC(NF)=S -13.1PredN
O=S(=O)(O)CO5603112.099CH4O4Shydroxymethanesulfonic acidN106O=S(=O)(O)COInChI=1S/CH4O4S/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)InChIKey=DETXZQGDWUJKMO-UHFFFAOYSA-N282.0Ex 281.99(BP est) 67.17(MP est) ----(BP exp) ----(MP exp) O=S(=O)(O)CO 67.2PredN
O=S(OC)(O)=O5604112.099CH4O4Smethyl hydrogen sulfateN106O=S(OC)(O)=OInChI=1S/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)InChIKey=JZMJDSHXVKJFKW-UHFFFAOYSA-N188.0Ex 236.05(BP est) 42.54(MP est) ----(BP exp) ----(MP exp) O=S(OC)(O)=O 42.5PredN
O=S(=O)(O)NN5605112.103H4N2O3Shydrazinesulfonic acidN106O=S(=O)(O)NNInChI=1S/H4N2O3S/c1-2-6(3,4)5/h2H,1H2,(H,3,4,5)InChIKey=ZMJZYXKPJWGDGR-UHFFFAOYSA-N190.1Ex 624.36(BP est) 270.69(MP est) ----(BP exp) ----(MP exp) O=S(=O)(O)NN 270.7PredN
F[Si]1(CC1F)F5606112.126C2H3F3Si1,1,2-trifluorosiliraneN96F[Si]1(CC1F)FInChI=1S/C2H3F3Si/c3-2-1-6(2,4)5/h2H,1H2InChIKey=BKCMQWPPSWYBIS-UHFFFAOYSA-N-42.7Ex -42.74(BP est) -93.70(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1F)F -93.7PredN
F[Si](F)(C=C)F5607112.126C2H3F3Sitrifluoro(vinyl)silaneN96F[Si](F)(C=C)FInChI=1S/C2H3F3Si/c1-2-6(3,4)5/h2H,1H2InChIKey=WACOZNZTFMHMOG-UHFFFAOYSA-N-25.0Ex -30.39(BP est) -142.20(MP est) ----(BP exp) ----(MP exp) F[Si](F)(C=C)F -142.2PredN
CSC(F)(F)(C)5608112.138C3H6F2S(1,1-difluoroethyl)(methyl)sulfaneN126CSC(F)(F)(C)InChI=1S/C3H6F2S/c1-3(4,5)6-2/h1-2H3InChIKey=HEZYCIIMFGZBFJ-UHFFFAOYSA-N47.6Ex 47.64(BP est) -98.72(MP est) ----(BP exp) ----(MP exp) CSC(F)(F)(C) -98.7PredN
CSC(F)(CF)5609112.138C3H6F2S(1,2-difluoroethyl)(methyl)sulfaneN126CSC(F)(CF)InChI=1S/C3H6F2S/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=HTQJIOVZXSBUKK-UHFFFAOYSA-N57.8Ex 57.84(BP est) -104.45(MP est) ----(BP exp) ----(MP exp) CSC(F)(CF) -104.5PredN
C(F)SC(F)(C)5610112.138C3H6F2S(1-fluoroethyl)(fluoromethyl)sulfaneN126C(F)SC(F)(C)InChI=1S/C3H6F2S/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=AOQXLMKVXAKKDV-UHFFFAOYSA-N57.8Ex 57.84(BP est) -104.45(MP est) ----(BP exp) ----(MP exp) C(F)SC(F)(C) -104.5PredN
CSC(C(F)F)5611112.138C3H6F2S(2,2-difluoroethyl)(methyl)sulfaneN126CSC(C(F)F)InChI=1S/C3H6F2S/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=JTEIQJJFYNIISQ-UHFFFAOYSA-N57.8Ex 57.84(BP est) -104.45(MP est) ----(BP exp) ----(MP exp) CSC(C(F)F) -104.5PredN
C(F)SC(CF)5612112.138C3H6F2S(2-fluoroethyl)(fluoromethyl)sulfaneN126C(F)SC(CF)InChI=1S/C3H6F2S/c4-1-2-6-3-5/h1-3H2InChIKey=BUZAHPSMMBLAED-UHFFFAOYSA-N73.1Ex 73.09(BP est) -92.50(MP est) ----(BP exp) ----(MP exp) C(F)SC(CF) -92.5PredN
C(F)(F)SC(C)5613112.138C3H6F2S(difluoromethyl)(ethyl)sulfaneN126C(F)(F)SC(C)InChI=1S/C3H6F2S/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=JQQAYWSREAMVNR-UHFFFAOYSA-N57.8Ex 57.84(BP est) -104.45(MP est) ----(BP exp) ----(MP exp) C(F)(F)SC(C) -104.5PredN
SC(F)(F)(CC)5614112.138C3H6F2S1,1-difluoropropane-1-thiolN126SC(F)(F)(CC)InChI=1S/C3H6F2S/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=BKHBYUOWLDMJBL-UHFFFAOYSA-N63.0Ex 63.02(BP est) -93.20(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(CC) -93.2PredN
SC(C)(C(F)F)5615112.138C3H6F2S1,1-difluoropropane-2-thiolN126SC(C)(C(F)F)InChI=1S/C3H6F2S/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=ZEVJEHMNGXIGQR-UHFFFAOYSA-N57.8Ex 57.77(BP est) -110.94(MP est) ----(BP exp) ----(MP exp) SC(C)(C(F)F) -110.9PredN
SC(F)(C(F)C)5616112.138C3H6F2S1,2-difluoropropane-1-thiolN126SC(F)(C(F)C)InChI=1S/C3H6F2S/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=HZVMCNIANLVBDF-UHFFFAOYSA-N57.8Ex 57.77(BP est) -110.94(MP est) ----(BP exp) ----(MP exp) SC(F)(C(F)C) -110.9PredN
SC(F)(C)(CF)5617112.138C3H6F2S1,2-difluoropropane-2-thiolN126SC(F)(C)(CF)InChI=1S/C3H6F2S/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=JDOQUCDYVHCBOV-UHFFFAOYSA-N63.0Ex 63.02(BP est) -93.20(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(CF) -93.2PredN
SC(F)(CCF)5618112.138C3H6F2S1,3-difluoropropane-1-thiolN126SC(F)(CCF)InChI=1S/C3H6F2S/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=MHSAHVXOGNCFDN-UHFFFAOYSA-N73.0Ex 73.01(BP est) -98.99(MP est) ----(BP exp) ----(MP exp) SC(F)(CCF) -99PredN
SC(CF)(CF)5619112.138C3H6F2S1,3-difluoropropane-2-thiolN126SC(CF)(CF)InChI=1S/C3H6F2S/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=KMKIDADZWCVAJY-UHFFFAOYSA-N73.0Ex 73.01(BP est) -98.99(MP est) ----(BP exp) ----(MP exp) SC(CF)(CF) -99PredN
SC(C(F)(F)C)5620112.138C3H6F2S2,2-difluoropropane-1-thiolN126SC(C(F)(F)C)InChI=1S/C3H6F2S/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=YABGGQNTQOYTLM-UHFFFAOYSA-N63.0Ex 63.02(BP est) -93.20(MP est) ----(BP exp) ----(MP exp) SC(C(F)(F)C) -93.2PredN
SC(C(F)CF)5621112.138C3H6F2S2,3-difluoropropane-1-thiolN126SC(C(F)CF)InChI=1S/C3H6F2S/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=SYSVPOKBBAUFOR-UHFFFAOYSA-N73.0Ex 73.01(BP est) -98.99(MP est) ----(BP exp) ----(MP exp) SC(C(F)CF) -99PredN
SC(CC(F)F)5622112.138C3H6F2S3,3-difluoropropane-1-thiolN126SC(CC(F)F)InChI=1S/C3H6F2S/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=UGUNOLQZVPBIBJ-UHFFFAOYSA-N73.0Ex 73.01(BP est) -98.99(MP est) ----(BP exp) ----(MP exp) SC(CC(F)F) -99PredN
F[Si](C)(OC)F5623112.151C2H6F2OSidifluoro(methoxy)(methyl)silaneN126F[Si](C)(OC)FInChI=1S/C2H6F2OSi/c1-5-6(2,3)4/h1-2H3InChIKey=QTQFBMUWVWVFAY-UHFFFAOYSA-N-1.9Ex -1.90(BP est) -122.18(MP est) ----(BP exp) ----(MP exp) F[Si](C)(OC)F -122.2PredN
F[Si](CC)(O)F5624112.151C2H6F2OSiethyldifluorosilanolN126F[Si](CC)(O)FInChI=1S/C2H6F2OSi/c1-2-6(3,4)5/h5H,2H2,1H3InChIKey=BJBMVEBGZQHYRV-UHFFFAOYSA-N87.7Ex 87.71(BP est) -76.72(MP est) ----(BP exp) ----(MP exp) F[Si](CC)(O)F -76.7PredN
F[Si](CF)(O)C5625112.151C2H6F2OSifluoro(fluoromethyl)(methyl)silanolN126F[Si](CF)(O)CInChI=1S/C2H6F2OSi/c1-6(4,5)2-3/h5H,2H2,1H3InChIKey=HYDKIXZQJANOMG-UHFFFAOYSA-N87.7Ex 87.71(BP est) -76.72(MP est) ----(BP exp) ----(MP exp) F[Si](CF)(O)C -76.7PredN
O=S(=S)(O)C5626112.161CH4O2S2methanesulfonothioic O-acidN95O=S(=S)(O)CInChI=1S/CH4O2S2/c1-5(2,3)4/h1H3,(H,2,3,4)InChIKey=FHBSGPWHCCIQPG-UHFFFAOYSA-N202.9Ex 202.93(BP est) -3.24(MP est) ----(BP exp) ----(MP exp) O=S(=S)(O)C -3.2PredN
C(=C=C=S)=C=S5627112.164C4S2buta-1,2,3-triene-1,4-dithioneN66C(=C=C=S)=C=SInChI=1S/C4S2/c5-3-1-2-4-6InChIKey=GTENBEPVRLKZBR-UHFFFAOYSA-N16.6Ex 16.63(BP est) -109.44(MP est) ----(BP exp) ----(MP exp) C(=C=C=S)=C=S -109.4PredN
CSSC(F)5628112.18C2H5FS21-(fluoromethyl)-2-methyldisulfaneN105CSSC(F)InChI=1S/C2H5FS2/c1-4-5-2-3/h2H2,1H3InChIKey=XZROFZQMUJTJEH-UHFFFAOYSA-N115.9Ex 115.91(BP est) -68.72(MP est) ----(BP exp) ----(MP exp) CSSC(F) -68.7PredN
PC(Cl)=CF5629112.468C2H3ClFP(1-chloro-2-fluorovinyl)phosphaneN85PC(Cl)=CFInChI=1S/C2H3ClFP/c3-2(5)1-4/h1H,5H2InChIKey=HFMVGYLMPSLGGI-UHFFFAOYSA-N75.7Ex 75.67(BP est) -93.75(MP est) ----(BP exp) ----(MP exp) PC(Cl)=CF -93.8PredN
PC(F)=CCl5630112.468C2H3ClFP(2-chloro-1-fluorovinyl)phosphaneN85PC(F)=CClInChI=1S/C2H3ClFP/c3-1-2(4)5/h1H,5H2InChIKey=FJOCGLPQFIAQIL-UHFFFAOYSA-N75.7Ex 75.67(BP est) -93.75(MP est) ----(BP exp) ----(MP exp) PC(F)=CCl -93.8PredN
PC=C(Cl)F5631112.468C2H3ClFP(2-chloro-2-fluorovinyl)phosphaneN85PC=C(Cl)FInChI=1S/C2H3ClFP/c3-2(4)1-5/h1H,5H2InChIKey=LPGNYKMMYIPINH-UHFFFAOYSA-N75.7Ex 75.67(BP est) -93.75(MP est) ----(BP exp) ----(MP exp) PC=C(Cl)F -93.8PredN
ClC1(F)CP15632112.468C2H3ClFP2-chloro-2-fluorophosphiraneN85ClC1(F)CP1InChI=1S/C2H3ClFP/c3-2(4)1-5-2/h5H,1H2InChIKey=KYEUBUYIUMIDMY-UHFFFAOYSA-N43.7Ex 43.69(BP est) -79.07(MP est) ----(BP exp) ----(MP exp) ClC1(F)CP1 -79.1PredN
ClC1C(F)P15633112.468C2H3ClFP2-chloro-3-fluorophosphiraneN85ClC1C(F)P1InChI=1S/C2H3ClFP/c3-1-2(4)5-1/h1-2,5HInChIKey=SCMWMTAELJAZHS-UHFFFAOYSA-N63.8Ex 63.79(BP est) -87.27(MP est) ----(BP exp) ----(MP exp) ClC1C(F)P1 -87.3PredN
OC(=O)C(Cl)(F)5634112.484C2H2ClFO22-chloro-2-fluoroacetic acidN86OC(=O)C(Cl)(F)InChI=1S/C2H2ClFO2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=JBIKZDFUXGHTHD-UHFFFAOYSA-N162.0Ex 158.82(BP est) -2.84(MP est) 162.00(BP exp) ----(MP exp) OC(=O)C(Cl)(F) -2.8PredN
ClCPOC5638112.493C2H6ClOP(chloromethyl)(methoxy)phosphaneN115ClCPOCInChI=1S/C2H6ClOP/c1-4-5-2-3/h5H,2H2,1H3InChIKey=DRYKZAMXDMOSMS-UHFFFAOYSA-N105.5Ex 105.54(BP est) -72.87(MP est) ----(BP exp) ----(MP exp) ClCPOC -72.9PredN
O=P(C)CCl5639112.493C2H6ClOP(chloromethyl)(methyl)phosphine oxideN115O=P(C)CClInChI=1S/C2H6ClOP/c1-5(4)2-3/h5H,2H2,1H3InChIKey=ITGQBFSVHUKNGC-UHFFFAOYSA-N145.1Ex 145.05(BP est) -54.95(MP est) ----(BP exp) ----(MP exp) O=P(C)CCl -55PredN
C(C1F)(C1(Cl)F)5640112.504C3H3ClF21-chloro-1,2-difluorocyclopropaneN96C(C1F)(C1(Cl)F)InChI=1S/C3H3ClF2/c4-3(6)1-2(3)5/h2H,1H2InChIKey=FUUWRHUTCRXJPN-UHFFFAOYSA-N23.2Ex 23.24(BP est) -90.49(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(Cl)F) -90.5PredN
C(C(F)=C(Cl)F)5641112.504C3H3ClF21-chloro-1,2-difluoroprop-1-eneN96C(C(F)=C(Cl)F)InChI=1S/C3H3ClF2/c1-2(5)3(4)6/h1H3InChIKey=IKHWCJFUHPAVDV-UHFFFAOYSA-N31.8Ex 31.78(BP est) -123.30(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(Cl)F) -123.3PredN
C(F)(C=C(Cl)F)5642112.504C3H3ClF21-chloro-1,3-difluoroprop-1-eneN96C(F)(C=C(Cl)F)InChI=1S/C3H3ClF2/c4-3(6)1-2-5/h1H,2H2InChIKey=WHBAONZNUYNUFS-UHFFFAOYSA-N39.0Ex 38.97(BP est) -114.22(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(Cl)F) -114.2PredN
C(Cl)(C1F)(C1F)5643112.504C3H3ClF21-chloro-2,3-difluorocyclopropaneN96C(Cl)(C1F)(C1F)InChI=1S/C3H3ClF2/c4-1-2(5)3(1)6/h1-3HInChIKey=SZOILKKTPFZLTR-UHFFFAOYSA-N43.9Ex 43.89(BP est) -98.53(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1F)(C1F) -98.5PredN
C(F)(C(F)=CCl)5644112.504C3H3ClF21-chloro-2,3-difluoroprop-1-eneN96C(F)(C(F)=CCl)InChI=1S/C3H3ClF2/c4-1-3(6)2-5/h1H,2H2InChIKey=INBOOORXHXIKSR-UHFFFAOYSA-N39.0Ex 38.97(BP est) -114.22(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)=CCl) -114.2PredN
C(F)(F)(C=CCl)5645112.504C3H3ClF21-chloro-3,3-difluoroprop-1-eneN96C(F)(F)(C=CCl)InChI=1S/C3H3ClF2/c4-2-1-3(5)6/h1-3HInChIKey=ILJQUKRTBVYTFL-UHFFFAOYSA-N30.3Ex 30.27(BP est) -117.28(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C=CCl) -117.3PredN
C(C1Cl)(C1(F)F)5646112.504C3H3ClF22-chloro-1,1-difluorocyclopropaneN96C(C1Cl)(C1(F)F)InChI=1S/C3H3ClF2/c4-2-1-3(2,5)6/h2H,1H2InChIKey=REZKQUKIBQAICX-UHFFFAOYSA-N37.7Ex 37.67(BP est) -86.28(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1(F)F) -86.3PredN
C(C(Cl)=C(F)F)5647112.504C3H3ClF22-chloro-1,1-difluoroprop-1-eneN96C(C(Cl)=C(F)F)InChI=1S/C3H3ClF2/c1-2(4)3(5)6/h1H3InChIKey=SBICOSJPCBAFED-UHFFFAOYSA-N31.8Ex 31.78(BP est) -123.30(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=C(F)F) -123.3PredN
C(F)(C(Cl)=CF)5648112.504C3H3ClF22-chloro-1,3-difluoroprop-1-eneN96C(F)(C(Cl)=CF)InChI=1S/C3H3ClF2/c4-3(1-5)2-6/h1H,2H2InChIKey=ZISJGBXFFJMBEA-UHFFFAOYSA-N39.0Ex 38.97(BP est) -114.22(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)=CF) -114.2PredN
C(F)(F)(C(Cl)=C)5649112.504C3H3ClF22-chloro-3,3-difluoroprop-1-eneN96C(F)(F)(C(Cl)=C)InChI=1S/C3H3ClF2/c1-2(4)3(5)6/h3H,1H2InChIKey=IAHIYIXAPBXQBL-UHFFFAOYSA-N12.7Ex 12.69(BP est) -127.73(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C(Cl)=C) -127.7PredN
C(Cl)(C=C(F)F)5650112.504C3H3ClF23-chloro-1,1-difluoroprop-1-eneN96C(Cl)(C=C(F)F)InChI=1S/C3H3ClF2/c4-2-1-3(5)6/h1H,2H2InChIKey=DHOJPULKJOMHDQ-UHFFFAOYSA-N69.3Ex 69.25(BP est) -105.38(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(F)F) -105.4PredN
C(Cl)(C(F)=CF)5651112.504C3H3ClF23-chloro-1,2-difluoroprop-1-eneN96C(Cl)(C(F)=CF)InChI=1S/C3H3ClF2/c4-1-3(6)2-5/h2H,1H2InChIKey=DPCCJAXLIOFIFF-UHFFFAOYSA-N69.3Ex 69.25(BP est) -105.38(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)=CF) -105.4PredN
C(Cl)(F)(C=CF)5652112.504C3H3ClF23-chloro-1,3-difluoroprop-1-eneN96C(Cl)(F)(C=CF)InChI=1S/C3H3ClF2/c4-3(6)1-2-5/h1-3HInChIKey=ARNCZNGVHUUPIX-UHFFFAOYSA-N46.9Ex 46.88(BP est) -112.43(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C=CF) -112.4PredN
C(Cl)(F)(C(F)=C)5653112.504C3H3ClF23-chloro-2,3-difluoroprop-1-eneN96C(Cl)(F)(C(F)=C)InChI=1S/C3H3ClF2/c1-2(5)3(4)6/h3H,1H2InChIKey=UWZSCAKKXYDSJZ-UHFFFAOYSA-N29.7Ex 29.67(BP est) -122.77(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(F)=C) -122.8PredN
C(Cl)(F)(F)(C=C)5654112.504C3H3ClF23-chloro-3,3-difluoroprop-1-eneN96C(Cl)(F)(F)(C=C)InChI=1S/C3H3ClF2/c1-2-3(4,5)6/h2H,1H2InChIKey=AQBMNBSTXOCKKZ-UHFFFAOYSA-N11.8Ex 11.75(BP est) -112.32(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(F)(C=C) -112.3PredN
C(Cl)(F)OC(C)5655112.528C3H6ClFO(chlorofluoromethoxy)ethaneN126C(Cl)(F)OC(C)InChI=1S/C3H6ClFO/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=BTABWYVGNRXDRB-UHFFFAOYSA-N63.1Ex 63.12(BP est) -94.33(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)OC(C) -94.3PredN
C(Cl)OC(F)(C)5656112.528C3H6ClFO1-(chloromethoxy)-1-fluoroethaneN126C(Cl)OC(F)(C)InChI=1S/C3H6ClFO/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=FGKYOCSGZUBHKX-UHFFFAOYSA-N76.8Ex 76.84(BP est) -90.32(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(F)(C) -90.3PredN
C(Cl)OC(CF)5657112.528C3H6ClFO1-(chloromethoxy)-2-fluoroethaneN126C(Cl)OC(CF)InChI=1S/C3H6ClFO/c4-3-6-2-1-5/h1-3H2InChIKey=BBSUPBKSOHRTES-UHFFFAOYSA-N91.7Ex 91.67(BP est) -78.49(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(CF) -78.5PredN
C(F)OC(Cl)(C)5658112.528C3H6ClFO1-chloro-1-(fluoromethoxy)ethaneN126C(F)OC(Cl)(C)InChI=1S/C3H6ClFO/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=FCIKGXGFFCUKJY-UHFFFAOYSA-N63.1Ex 63.12(BP est) -94.33(MP est) ----(BP exp) ----(MP exp) C(F)OC(Cl)(C) -94.3PredN
COC(Cl)(F)(C)5659112.528C3H6ClFO1-chloro-1-fluoro-1-methoxyethaneN126COC(Cl)(F)(C)InChI=1S/C3H6ClFO/c1-3(4,5)6-2/h1-2H3InChIKey=YUXMOFOUHVCRLG-UHFFFAOYSA-N38.9Ex 38.85(BP est) -92.70(MP est) ----(BP exp) ----(MP exp) COC(Cl)(F)(C) -92.7PredN
COC(C(Cl)F)5660112.528C3H6ClFO1-chloro-1-fluoro-2-methoxyethaneN126COC(C(Cl)F)InChI=1S/C3H6ClFO/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=OWZCVMICKTVMKN-UHFFFAOYSA-N63.1Ex 63.12(BP est) -94.33(MP est) ----(BP exp) ----(MP exp) COC(C(Cl)F) -94.3PredN
OC(Cl)(F)(CC)5661112.528C3H6ClFO1-chloro-1-fluoropropan-1-olN126OC(Cl)(F)(CC)InChI=1S/C3H6ClFO/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=WILKXRUKQRGBPZ-UHFFFAOYSA-N87.4Ex 87.44(BP est) -59.22(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(CC) -59.2PredN
OC(C)(C(Cl)F)5662112.528C3H6ClFO1-chloro-1-fluoropropan-2-olN126OC(C)(C(Cl)F)InChI=1S/C3H6ClFO/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=FAVUBRDADNUXAN-UHFFFAOYSA-N106.9Ex 106.85(BP est) -69.76(MP est) ----(BP exp) ----(MP exp) OC(C)(C(Cl)F) -69.8PredN
C(F)OC(CCl)5663112.528C3H6ClFO1-chloro-2-(fluoromethoxy)ethaneN126C(F)OC(CCl)InChI=1S/C3H6ClFO/c4-1-2-6-3-5/h1-3H2InChIKey=ZSSZMXTYPOVUPO-UHFFFAOYSA-N91.7Ex 91.67(BP est) -78.49(MP est) ----(BP exp) ----(MP exp) C(F)OC(CCl) -78.5PredN
COC(Cl)(CF)5664112.528C3H6ClFO1-chloro-2-fluoro-1-methoxyethaneN126COC(Cl)(CF)InChI=1S/C3H6ClFO/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=SHWMUMLOGGTHEE-UHFFFAOYSA-N63.1Ex 63.12(BP est) -94.33(MP est) ----(BP exp) ----(MP exp) COC(Cl)(CF) -94.3PredN
OC(Cl)(C(F)C)5665112.528C3H6ClFO1-chloro-2-fluoropropan-1-olN126OC(Cl)(C(F)C)InChI=1S/C3H6ClFO/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=WLGPUNFAGHAGJQ-UHFFFAOYSA-N106.9Ex 106.85(BP est) -69.76(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(F)C) -69.8PredN
OC(F)(C)(CCl)5666112.528C3H6ClFO1-chloro-2-fluoropropan-2-olN126OC(F)(C)(CCl)InChI=1S/C3H6ClFO/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=XDTYMAACVJDKEO-UHFFFAOYSA-N113.6Ex 113.60(BP est) -51.59(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(CCl) -51.6PredN
OC(Cl)(CCF)5667112.528C3H6ClFO1-chloro-3-fluoropropan-1-olN126OC(Cl)(CCF)InChI=1S/C3H6ClFO/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=KDJKVRNWEMLYRS-UHFFFAOYSA-N121.0Ex 121.02(BP est) -58.13(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CCF) -58.1PredN
OC(CCl)(CF)5668112.528C3H6ClFO1-chloro-3-fluoropropan-2-olN126OC(CCl)(CF)InChI=1S/C3H6ClFO/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=ZNKJYZHZWALQNX-UHFFFAOYSA-N136.0Ex 133.56(BP est) -54.47(MP est) ----(BP exp) ----(MP exp) OC(CCl)(CF) -54.5PredN
COC(F)(CCl)5669112.528C3H6ClFO2-chloro-1-fluoro-1-methoxyethaneN126COC(F)(CCl)InChI=1S/C3H6ClFO/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=LKEDVTRZDMEQKI-UHFFFAOYSA-N76.8Ex 76.84(BP est) -90.32(MP est) ----(BP exp) ----(MP exp) COC(F)(CCl) -90.3PredN
OC(F)(C(Cl)C)5670112.528C3H6ClFO2-chloro-1-fluoropropan-1-olN126OC(F)(C(Cl)C)InChI=1S/C3H6ClFO/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=URHOZPGJLBEKBI-UHFFFAOYSA-N106.9Ex 106.85(BP est) -69.76(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Cl)C) -69.8PredN
OC(Cl)(C)(CF)5671112.528C3H6ClFO2-chloro-1-fluoropropan-2-olN126OC(Cl)(C)(CF)InChI=1S/C3H6ClFO/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=CJGWTOCGYWDMTC-UHFFFAOYSA-N87.4Ex 87.44(BP est) -59.22(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C)(CF) -59.2PredN
OC(C(Cl)(F)C)5672112.528C3H6ClFO2-chloro-2-fluoropropan-1-olN126OC(C(Cl)(F)C)InChI=1S/C3H6ClFO/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=GNFKVCWFCVTUPP-UHFFFAOYSA-N106.5Ex 106.51(BP est) -53.66(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)(F)C) -53.7PredN
OC(C(Cl)CF)5673112.528C3H6ClFO2-chloro-3-fluoropropan-1-olN126OC(C(Cl)CF)InChI=1S/C3H6ClFO/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=LTCGVFYSBYYWLO-UHFFFAOYSA-N128.5Ex 128.48(BP est) -55.95(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)CF) -56PredN
OC(F)(CCCl)5674112.528C3H6ClFO3-chloro-1-fluoropropan-1-olN126OC(F)(CCCl)InChI=1S/C3H6ClFO/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=NVDCMJREDAYLMP-UHFFFAOYSA-N133.6Ex 133.56(BP est) -54.47(MP est) ----(BP exp) ----(MP exp) OC(F)(CCCl) -54.5PredN
OC(C(F)CCl)5675112.528C3H6ClFO3-chloro-2-fluoropropan-1-olN126OC(C(F)CCl)InChI=1S/C3H6ClFO/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=DBYUKQUPBGKQQH-UHFFFAOYSA-N140.9Ex 140.86(BP est) -52.34(MP est) ----(BP exp) ----(MP exp) OC(C(F)CCl) -52.3PredN
OC(CC(Cl)F)5676112.528C3H6ClFO3-chloro-3-fluoropropan-1-olN126OC(CC(Cl)F)InChI=1S/C3H6ClFO/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=MZZKLLLPLKAZLE-UHFFFAOYSA-N128.5Ex 128.48(BP est) -55.95(MP est) ----(BP exp) ----(MP exp) OC(CC(Cl)F) -56PredN
NNC(Cl)(F)(C)5677112.532C2H6ClFN2(1-chloro-1-fluoroethyl)hydrazineN126NNC(Cl)(F)(C)InChI=1S/C2H6ClFN2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=QPBWQGYTFUZRHI-UHFFFAOYSA-N101.2Ex 101.17(BP est) -23.30(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(F)(C) -23.3PredN
NNC(Cl)(CF)5678112.532C2H6ClFN2(1-chloro-2-fluoroethyl)hydrazineN126NNC(Cl)(CF)InChI=1S/C2H6ClFN2/c3-2(1-4)6-5/h2,6H,1,5H2InChIKey=CAVFDYWBSLKUGG-UHFFFAOYSA-N123.3Ex 123.32(BP est) -25.54(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(CF) -25.5PredN
NNC(F)(CCl)5679112.532C2H6ClFN2(2-chloro-1-fluoroethyl)hydrazineN126NNC(F)(CCl)InChI=1S/C2H6ClFN2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=VRZNJXFRZVBEMP-UHFFFAOYSA-N135.8Ex 135.81(BP est) -21.89(MP est) ----(BP exp) ----(MP exp) NNC(F)(CCl) -21.9PredN
NNC(C(Cl)F)5680112.532C2H6ClFN2(2-chloro-2-fluoroethyl)hydrazineN126NNC(C(Cl)F)InChI=1S/C2H6ClFN2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=IGGGCALLPSZPSG-UHFFFAOYSA-N123.3Ex 123.32(BP est) -25.54(MP est) ----(BP exp) ----(MP exp) NNC(C(Cl)F) -25.5PredN
CN(C(Cl)(F))N5681112.532C2H6ClFN21-(chlorofluoromethyl)-1-methylhydrazineN126CN(C(Cl)(F))NInChI=1S/C2H6ClFN2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=ZLQPDYRHCSPBLV-UHFFFAOYSA-N102.2Ex 102.20(BP est) -41.80(MP est) ----(BP exp) ----(MP exp) CN(C(Cl)(F))N -41.8PredN
CNNC(Cl)(F)5682112.532C2H6ClFN21-(chlorofluoromethyl)-2-methylhydrazineN126CNNC(Cl)(F)InChI=1S/C2H6ClFN2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=ZYXYIWUAKPIAJB-UHFFFAOYSA-N105.0Ex 104.96(BP est) -46.20(MP est) ----(BP exp) ----(MP exp) CNNC(Cl)(F) -46.2PredN
C(Cl)N(C(F))N5683112.532C2H6ClFN21-(chloromethyl)-1-(fluoromethyl)hydrazineN126C(Cl)N(C(F))NInChI=1S/C2H6ClFN2/c3-1-6(5)2-4/h1-2,5H2InChIKey=ZYSXUQQBHFOPBZ-UHFFFAOYSA-N129.1Ex 129.10(BP est) -26.45(MP est) ----(BP exp) ----(MP exp) C(Cl)N(C(F))N -26.5PredN
C(Cl)NNC(F)5684112.532C2H6ClFN21-(chloromethyl)-2-(fluoromethyl)hydrazineN126C(Cl)NNC(F)InChI=1S/C2H6ClFN2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=OORFZXXQAGKUIN-UHFFFAOYSA-N131.7Ex 131.74(BP est) -30.88(MP est) ----(BP exp) ----(MP exp) C(Cl)NNC(F) -30.9PredN
ClC1(F)CS15685112.546C2H2ClFS2-chloro-2-fluorothiiraneN75ClC1(F)CS1InChI=1S/C2H2ClFS/c3-2(4)1-5-2/h1H2InChIKey=XMJRIATUUKSSNU-UHFFFAOYSA-N73.7Ex 73.68(BP est) -40.85(MP est) ----(BP exp) ----(MP exp) ClC1(F)CS1 -40.9PredN
ClC1C(F)S15686112.546C2H2ClFS2-chloro-3-fluorothiiraneN75ClC1C(F)S1InChI=1S/C2H2ClFS/c3-1-2(4)5-1/h1-2HInChIKey=RFQNJPKTIDKUER-UHFFFAOYSA-N93.0Ex 92.96(BP est) -49.29(MP est) ----(BP exp) ----(MP exp) ClC1C(F)S1 -49.3PredN
C(Br)(F)5690112.929CH2BrFbromofluoromethaneN53C(Br)(F)InChI=1S/CH2BrF/c2-1-3/h1H2InChIKey=LHMHCLYDBQOYTO-UHFFFAOYSA-N19.0Ex 28.66(BP est) -104.33(MP est) 19.00(BP exp) ----(MP exp) C(Br)(F) -104.3PredN
O=CC(Cl)Cl5691112.937C2H2Cl2O2,2-dichloroacetaldehydeN75O=CC(Cl)ClInChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2HInChIKey=NWQWQKUXRJYXFH-UHFFFAOYSA-N88.3Ex 124.45(BP est) -57.51(MP est) 89.20(BP exp) -37.50(MP exp) O=CC(Cl)Cl -37.5ExptY(Ballschmiter 2003)
ClC1(Cl)CO15692112.937C2H2Cl2O2,2-dichlorooxiraneN75ClC1(Cl)CO1InChI=1S/C2H2Cl2O/c3-2(4)1-5-2/h1H2InChIKey=DPVAHOUXGQHEOI-UHFFFAOYSA-N73.8Ex 73.77(BP est) -51.60(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CO1 -51.6PredN
ClC1C(Cl)O15693112.937C2H2Cl2O2,3-dichlorooxiraneN75ClC1C(Cl)O1InChI=1S/C2H2Cl2O/c3-1-2(4)5-1/h1-2HInChIKey=BLJBBKAZKREJGI-UHFFFAOYSA-N106.1Ex 106.12(BP est) -56.22(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)O1 -56.2PredN
CCC(Cl)Cl5694112.981C3H6Cl21,1-dichloropropaneN115CCC(Cl)ClInChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3InChIKey=WIHMGGWNMISDNJ-UHFFFAOYSA-N87.9Ex 87.94(BP est) -83.53(MP est) 88.10(BP exp) ----(MP exp) CCC(Cl)Cl -83.5PredN
CC(CCl)Cl5695112.981C3H6Cl21,2-dichloropropaneN115CC(CCl)ClInChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3InChIKey=KNKRKFALVUDBJE-UHFFFAOYSA-N97.0Ex 101.17(BP est) -79.67(MP est) 95.50(BP exp) -100.00(MP exp) CC(CCl)Cl -100ExptN
ClCCCCl5696112.981C3H6Cl21,3-dichloropropaneN115ClCCCClInChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2InChIKey=YHRUOJUYPBUZOS-UHFFFAOYSA-N122.6Ex 128.12(BP est) -64.30(MP est) 120.90(BP exp) -99.50(MP exp) ClCCCCl -99.5ExptN
CC(Cl)(C)Cl5697112.981C3H6Cl22,2-dichloropropaneN115CC(Cl)(C)ClInChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3InChIKey=ZEOVXNVKXIPWMS-UHFFFAOYSA-N69.3Ex 50.61(BP est) -85.72(MP est) 69.30(BP exp) -33.80(MP exp) CC(Cl)(C)Cl -33.8ExptN
S=P(O)(O)N5698113.071H4NO2PSphosphoramidothioic O,O-acidN95S=P(O)(O)NInChI=1S/H4NO2PS/c1-4(2,3)5/h(H4,1,2,3,5)InChIKey=RJBIAAZJODIFHR-UHFFFAOYSA-N214.9Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) S=P(O)(O)N 90.3PredN
O=S(ON)(O)=O5699113.087H3NO4S(aminooxy)sulfonic acidN96O=S(ON)(O)=OInChI=1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)InChIKey=DQPBABKTKYNPMH-UHFFFAOYSA-N162.8Ex 614.72(BP est) 266.19(MP est) ----(BP exp) ----(MP exp) O=S(ON)(O)=O 266.2PredN
FC1C(Cl)(F)N15700113.492C2H2ClF2N2-chloro-2,3-difluoroaziridineN86FC1C(Cl)(F)N1InChI=1S/C2H2ClF2N/c3-2(5)1(4)6-2/h1,6HInChIKey=CGTQKSCXJCLYNZ-UHFFFAOYSA-N65.2Ex 65.22(BP est) -31.35(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(F)N1 -31.4PredN
ClC1C(F)(F)N15701113.492C2H2ClF2N3-chloro-2,2-difluoroaziridineN86ClC1C(F)(F)N1InChI=1S/C2H2ClF2N/c3-1-2(4,5)6-1/h1,6HInChIKey=UDIBUZCFFRUBGM-UHFFFAOYSA-N78.9Ex 78.86(BP est) -27.37(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(F)N1 -27.4PredN
NCOC(Cl)(F)5702113.516C2H5ClFNO(chlorofluoromethoxy)methanamineN116NCOC(Cl)(F)InChI=1S/C2H5ClFNO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=JCJKRLFYPGBMKV-UHFFFAOYSA-N103.8Ex 103.80(BP est) -46.46(MP est) ----(BP exp) ----(MP exp) NCOC(Cl)(F) -46.5PredN
NC(F)OC(Cl)5703113.516C2H5ClFNO(chloromethoxy)fluoromethanamineN116NC(F)OC(Cl)InChI=1S/C2H5ClFNO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=MEQIEQFYYDEVQL-UHFFFAOYSA-N116.7Ex 116.70(BP est) -42.69(MP est) ----(BP exp) ----(MP exp) NC(F)OC(Cl) -42.7PredN
NCC(O)(Cl)(F)5704113.516C2H5ClFNO2-amino-1-chloro-1-fluoroethan-1-olN116NCC(O)(Cl)(F)InChI=1S/C2H5ClFNO/c3-2(4,6)1-5/h6H,1,5H2InChIKey=FFUNBIGWWOFWGK-UHFFFAOYSA-N126.7Ex 126.66(BP est) -11.78(MP est) ----(BP exp) ----(MP exp) NCC(O)(Cl)(F) -11.8PredN
NC(F)C(O)(Cl)5705113.516C2H5ClFNO2-amino-1-chloro-2-fluoroethan-1-olN116NC(F)C(O)(Cl)InChI=1S/C2H5ClFNO/c3-1(6)2(4)5/h1-2,6H,5H2InChIKey=UNHAERQROSIZAB-UHFFFAOYSA-N144.9Ex 144.87(BP est) -22.67(MP est) ----(BP exp) ----(MP exp) NC(F)C(O)(Cl) -22.7PredN
NC(Cl)C(O)(F)5706113.516C2H5ClFNO2-amino-2-chloro-1-fluoroethan-1-olN116NC(Cl)C(O)(F)InChI=1S/C2H5ClFNO/c3-1(5)2(4)6/h1-2,6H,5H2InChIKey=PFTXCWIZGCWHRA-UHFFFAOYSA-N144.9Ex 144.87(BP est) -22.67(MP est) ----(BP exp) ----(MP exp) NC(Cl)C(O)(F) -22.7PredN
NC(Cl)(F)C(O)5707113.516C2H5ClFNO2-amino-2-chloro-2-fluoroethan-1-olN116NC(Cl)(F)C(O)InChI=1S/C2H5ClFNO/c3-2(4,5)1-6/h6H,1,5H2InChIKey=BEAHKDSYAMNZKM-UHFFFAOYSA-N144.6Ex 144.55(BP est) -6.55(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)C(O) -6.6PredN
NC(Cl)OC(F)5708113.516C2H5ClFNOchloro(fluoromethoxy)methanamineN116NC(Cl)OC(F)InChI=1S/C2H5ClFNO/c3-2(5)6-1-4/h2H,1,5H2InChIKey=UVYULEYBDFAPMB-UHFFFAOYSA-N103.8Ex 103.80(BP est) -46.46(MP est) ----(BP exp) ----(MP exp) NC(Cl)OC(F) -46.5PredN
NC(Cl)(F)OC5709113.516C2H5ClFNOchlorofluoro(methoxy)methanamineN116NC(Cl)(F)OCInChI=1S/C2H5ClFNO/c1-6-2(3,4)5/h5H2,1H3InChIKey=ZTUFDIYWRLKOSG-UHFFFAOYSA-N80.9Ex 80.93(BP est) -44.42(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)OC -44.4PredN
ClC(F)(C)NO5710113.516C2H5ClFNON-(1-chloro-1-fluoroethyl)hydroxylamineN116ClC(F)(C)NOInChI=1S/C2H5ClFNO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=VTHCBNBHWZFCQW-UHFFFAOYSA-N143.5Ex 143.51(BP est) -22.16(MP est) ----(BP exp) ----(MP exp) ClC(F)(C)NO -22.2PredN
ClC(F)N(O)C5711113.516C2H5ClFNON-(chlorofluoromethyl)-N-methylhydroxylamineN116ClC(F)N(O)CInChI=1S/C2H5ClFNO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=ZGTDWEPCFGSROE-UHFFFAOYSA-N212.4Ex 212.44(BP est) 2.24(MP est) ----(BP exp) ----(MP exp) ClC(F)N(O)C 2.2PredN
ClC(F)NOC5712113.516C2H5ClFNON-(chlorofluoromethyl)-O-methylhydroxylamineN116ClC(F)NOCInChI=1S/C2H5ClFNO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=AMXIGXRZGSUNJT-UHFFFAOYSA-N84.8Ex 84.84(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) ClC(F)NOC -67.3PredN
ClCNOCF5713113.516C2H5ClFNON-(chloromethyl)-O-(fluoromethyl)hydroxylamineN116ClCNOCFInChI=1S/C2H5ClFNO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=GHUVPJVEBNPVPJ-UHFFFAOYSA-N112.5Ex 112.49(BP est) -51.72(MP est) ----(BP exp) ----(MP exp) ClCNOCF -51.7PredN
NOC(F)(C)Cl5714113.516C2H5ClFNOO-(1-chloro-1-fluoroethyl)hydroxylamineN116NOC(F)(C)ClInChI=1S/C2H5ClFNO/c1-2(3,4)6-5/h5H2,1H3InChIKey=DZWMRQMVWVOXKC-UHFFFAOYSA-N80.9Ex 80.93(BP est) -44.42(MP est) ----(BP exp) ----(MP exp) NOC(F)(C)Cl -44.4PredN
NOC(CF)Cl5715113.516C2H5ClFNOO-(1-chloro-2-fluoroethyl)hydroxylamineN116NOC(CF)ClInChI=1S/C2H5ClFNO/c3-2(1-4)6-5/h2H,1,5H2InChIKey=ZWAHVCZZPMGSCC-UHFFFAOYSA-N103.8Ex 103.80(BP est) -46.46(MP est) ----(BP exp) ----(MP exp) NOC(CF)Cl -46.5PredN
NOC(CCl)F5716113.516C2H5ClFNOO-(2-chloro-1-fluoroethyl)hydroxylamineN116NOC(CCl)FInChI=1S/C2H5ClFNO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=IMUTXVHIHOAFNK-UHFFFAOYSA-N116.7Ex 116.70(BP est) -42.69(MP est) ----(BP exp) ----(MP exp) NOC(CCl)F -42.7PredN
NOCC(F)Cl5717113.516C2H5ClFNOO-(2-chloro-2-fluoroethyl)hydroxylamineN116NOCC(F)ClInChI=1S/C2H5ClFNO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=OZFUYYIIOJNXBZ-UHFFFAOYSA-N103.8Ex 103.80(BP est) -46.46(MP est) ----(BP exp) ----(MP exp) NOCC(F)Cl -46.5PredN
CNOC(F)Cl5718113.516C2H5ClFNOO-(chlorofluoromethyl)-N-methylhydroxylamineN116CNOC(F)ClInChI=1S/C2H5ClFNO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=HJPIQARFDUOAIW-UHFFFAOYSA-N84.8Ex 84.84(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) CNOC(F)Cl -67.3PredN
FCNOCCl5719113.516C2H5ClFNOO-(chloromethyl)-N-(fluoromethyl)hydroxylamineN116FCNOCClInChI=1S/C2H5ClFNO/c3-1-6-5-2-4/h5H,1-2H2InChIKey=MVENCQYWFDEGKW-UHFFFAOYSA-N112.5Ex 112.49(BP est) -51.72(MP est) ----(BP exp) ----(MP exp) FCNOCCl -51.7PredN
NC(Cl)(C)Cl5720113.969C2H5Cl2N1,1-dichloroethan-1-amineN105NC(Cl)(C)ClInChI=1S/C2H5Cl2N/c1-2(3,4)5/h5H2,1H3InChIKey=NQNPZOLLLVTCHD-UHFFFAOYSA-N92.0Ex 92.01(BP est) -37.64(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C)Cl -37.6PredN
CNC(Cl)Cl5721113.969C2H5Cl2N1,1-dichloro-N-methylmethanamineN105CNC(Cl)ClInChI=1S/C2H5Cl2N/c1-5-2(3)4/h2,5H,1H3InChIKey=QCQVGSKHVKNPIG-UHFFFAOYSA-N108.9Ex 108.88(BP est) -56.72(MP est) ----(BP exp) ----(MP exp) CNC(Cl)Cl -56.7PredN
NC(CCl)Cl5722113.969C2H5Cl2N1,2-dichloroethan-1-amineN105NC(CCl)ClInChI=1S/C2H5Cl2N/c3-1-2(4)5/h2H,1,5H2InChIKey=CWQHRDXBTCNJTQ-UHFFFAOYSA-N139.5Ex 139.54(BP est) -32.47(MP est) ----(BP exp) ----(MP exp) NC(CCl)Cl -32.5PredN
NCC(Cl)Cl5723113.969C2H5Cl2N2,2-dichloroethan-1-amineN105NCC(Cl)ClInChI=1S/C2H5Cl2N/c3-2(4)1-5/h2H,1,5H2InChIKey=XEIHTUKQICDYLA-UHFFFAOYSA-N127.1Ex 127.13(BP est) -36.10(MP est) ----(BP exp) ----(MP exp) NCC(Cl)Cl -36.1PredN
C(Cl)NC(Cl)5724113.969C2H5Cl2Nbis(chloromethyl)amineN105C(Cl)NC(Cl)InChI=1S/C2H5Cl2N/c3-1-5-2-4/h5H,1-2H2InChIKey=SMPFSSJVRBYQHV-UHFFFAOYSA-N147.7Ex 147.73(BP est) -37.88(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Cl) -37.9PredN
PC(F)=C(F)F5725114.007C2H2F3P(1,2,2-trifluorovinyl)phosphaneN86PC(F)=C(F)FInChI=1S/C2H2F3P/c3-1(4)2(5)6/h6H2InChIKey=IQYPAFIAXVGVQY-UHFFFAOYSA-N35.3Ex 35.25(BP est) -126.90(MP est) ----(BP exp) ----(MP exp) PC(F)=C(F)F -126.9PredN
FC1C(F)(F)P15726114.007C2H2F3P2,2,3-trifluorophosphiraneN86FC1C(F)(F)P1InChI=1S/C2H2F3P/c3-1-2(4,5)6-1/h1,6HInChIKey=LNQSPBVMGGBTIG-UHFFFAOYSA-N-1.4Ex -1.44(BP est) -108.74(MP est) ----(BP exp) ----(MP exp) FC1C(F)(F)P1 -108.7PredN
O=P(O)(CF)O5727114.012CH4FO3P(fluoromethyl)phosphonic acidN106O=P(O)(CF)OInChI=1S/CH4FO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)InChIKey=RQGDWPPNBGCVKN-UHFFFAOYSA-N250.1Ex 250.14(BP est) 8.06(MP est) ----(BP exp) ----(MP exp) O=P(O)(CF)O 8.1PredN
FC(POC)F5733114.032C2H5F2OP(difluoromethyl)(methoxy)phosphaneN116FC(POC)FInChI=1S/C2H5F2OP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=VKNIDRPBGDZREV-UHFFFAOYSA-N27.8Ex 27.75(BP est) -117.45(MP est) ----(BP exp) ----(MP exp) FC(POC)F -117.5PredN
O=P(C)C(F)F5734114.032C2H5F2OP(difluoromethyl)(methyl)phosphine oxideN116O=P(C)C(F)FInChI=1S/C2H5F2OP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=QXIYMICIFVGMPI-UHFFFAOYSA-N72.0Ex 72.04(BP est) -98.14(MP est) ----(BP exp) ----(MP exp) O=P(C)C(F)F -98.1PredN
O=P(CF)CF5736114.032C2H5F2OPbis(fluoromethyl)phosphine oxideN116O=P(CF)CFInChI=1S/C2H5F2OP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=OGUJXXKBTDLYIB-UHFFFAOYSA-N87.0Ex 86.98(BP est) -86.28(MP est) ----(BP exp) ----(MP exp) O=P(CF)CF -86.3PredN
S=P(O)(O)O5737114.055H3O3PSphosphorothioic O,O,O-acidN85S=P(O)(O)OInChI=1S/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)InChIKey=RYYWUUFWQRZTIU-UHFFFAOYSA-N217.2Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) S=P(O)(O)O 90.3PredN
OOS(=O)(=O)O5738114.071H2O5Ssulfuroperoxoic acidN86OOS(=O)(=O)OInChI=1S/H2O5S/c1-5-6(2,3)4/h1H,(H,2,3,4)InChIKey=FHHJDRFHHWUPDG-UHFFFAOYSA-N156.9Ex 619.97(BP est) 268.64(MP est) ----(BP exp) ----(MP exp) OOS(=O)(=O)O 268.6PredN
FC1C(F)(F)S15739114.085C2HF3S2,2,3-trifluorothiiraneN76FC1C(F)(F)S1InChI=1S/C2HF3S/c3-1-2(4,5)6-1/h1HInChIKey=STVSMGCWYMNSME-UHFFFAOYSA-N30.4Ex 30.35(BP est) -69.99(MP est) ----(BP exp) ----(MP exp) FC1C(F)(F)S1 -70PredN
F[Si](O)(OC)F5741114.123CH4F2O2Sidifluoro(methoxy)silanolN106F[Si](O)(OC)FInChI=1S/CH4F2O2Si/c1-5-6(2,3)4/h4H,1H3InChIKey=VUAJCCUOOXLIPC-UHFFFAOYSA-N88.7Ex 88.66(BP est) -70.96(MP est) ----(BP exp) ----(MP exp) F[Si](O)(OC)F -71PredN
F[Si](O)(O)CF5742114.123CH4F2O2Sifluoro(fluoromethyl)silanediolN106F[Si](O)(O)CFInChI=1S/CH4F2O2Si/c2-1-6(3,4)5/h4-5H,1H2InChIKey=CYJLHXRIWCXCJE-UHFFFAOYSA-N167.5Ex 167.45(BP est) -28.67(MP est) ----(BP exp) ----(MP exp) F[Si](O)(O)CF -28.7PredN
OS(=O)(=S)O5743114.133H2O3S2sulfurothioic O,O-acidN75OS(=O)(=S)OInChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)InChIKey=DHCDFWKWKRSZHF-UHFFFAOYSA-N180.2Ex 615.71(BP est) 264.33(MP est) ----(BP exp) ----(MP exp) OS(=O)(=S)O 264.3PredY(Wishart et al. 2013)
F[Si](C)(CF)F5744114.142C2H5F3Sidifluoro(fluoromethyl)(methyl)silaneN116F[Si](C)(CF)FInChI=1S/C2H5F3Si/c1-6(4,5)2-3/h2H2,1H3InChIKey=RWPNIHCWRUCTKC-UHFFFAOYSA-N-28.3Ex -28.26(BP est) -140.70(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CF)F -140.7PredN
F[Si](F)(CC)F5745114.142C2H5F3SiethyltrifluorosilaneN116F[Si](F)(CC)FInChI=1S/C2H5F3Si/c1-2-6(3,4)5/h2H2,1H3InChIKey=NHOREJPMXSLGGR-UHFFFAOYSA-N-2.8Ex -28.26(BP est) -140.70(MP est) ----(BP exp) ----(MP exp) F[Si](F)(CC)F -140.7PredN
O=PC(Cl)F5746114.44CHClFOP(chlorofluoromethyl)(oxo)phosphaneN65O=PC(Cl)FInChI=1S/CHClFOP/c2-1(3)5-4/h1HInChIKey=ZYWUFDSEZQMHLH-UHFFFAOYSA-N99.7Ex 99.71(BP est) -72.85(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)F -72.9PredN
O=P(CCl)O5747114.465CH4ClO2P(chloromethyl)phosphinic acidN95O=P(CCl)OInChI=1S/CH4ClO2P/c2-1-5(3)4/h5H,1H2,(H,3,4)InChIKey=AOASVTBKGBXGTN-UHFFFAOYSA-N217.1Ex 217.07(BP est) -9.15(MP est) ----(BP exp) ----(MP exp) O=P(CCl)O -9.2PredN
C(=O)C(Cl)(F)(F)5749114.476C2HClF2O2-chloro-2,2-difluoroacetaldehydeN76C(=O)C(Cl)(F)(F)InChI=1S/C2HClF2O/c3-2(4,5)1-6/h1HInChIKey=PRGCVNDIGVIGBQ-UHFFFAOYSA-N54.3Ex 54.27(BP est) -83.66(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(F)(F) -83.7PredN
FC1C(Cl)(F)O15750114.476C2HClF2O2-chloro-2,3-difluorooxiraneN76FC1C(Cl)(F)O1InChI=1S/C2HClF2O/c3-2(5)1(4)6-2/h1HInChIKey=PLMLPTZIWJBQRT-UHFFFAOYSA-N30.4Ex 30.44(BP est) -80.74(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(F)O1 -80.7PredN
ClC1C(F)(F)O15751114.476C2HClF2O3-chloro-2,2-difluorooxiraneN76ClC1C(F)(F)O1InChI=1S/C2HClF2O/c3-1-2(4,5)6-1/h1HInChIKey=RVXNEMGXHQPWEU-UHFFFAOYSA-N44.7Ex 44.73(BP est) -76.57(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(F)O1 -76.6PredN
PC(C)(Cl)F5752114.484C2H5ClFP(1-chloro-1-fluoroethyl)phosphaneN105PC(C)(Cl)FInChI=1S/C2H5ClFP/c1-2(3,4)5/h5H2,1H3InChIKey=AYVXKKLBWCYLBI-UHFFFAOYSA-N51.7Ex 51.70(BP est) -90.02(MP est) ----(BP exp) ----(MP exp) PC(C)(Cl)F -90PredN
PC(Cl)CF5753114.484C2H5ClFP(1-chloro-2-fluoroethyl)phosphaneN105PC(Cl)CFInChI=1S/C2H5ClFP/c3-2(5)1-4/h2H,1,5H2InChIKey=ODKNYJGYYWQYHO-UHFFFAOYSA-N75.6Ex 75.55(BP est) -91.76(MP est) ----(BP exp) ----(MP exp) PC(Cl)CF -91.8PredN
PC(F)CCl5754114.484C2H5ClFP(2-chloro-1-fluoroethyl)phosphaneN105PC(F)CClInChI=1S/C2H5ClFP/c3-1-2(4)5/h2H,1,5H2InChIKey=WZOZJFAQWBPDBF-UHFFFAOYSA-N89.0Ex 89.02(BP est) -87.83(MP est) ----(BP exp) ----(MP exp) PC(F)CCl -87.8PredN
PCC(Cl)F5755114.484C2H5ClFP(2-chloro-2-fluoroethyl)phosphaneN105PCC(Cl)FInChI=1S/C2H5ClFP/c3-2(4)1-5/h2H,1,5H2InChIKey=JFMQPEOIKGFDEN-UHFFFAOYSA-N75.6Ex 75.55(BP est) -91.76(MP est) ----(BP exp) ----(MP exp) PCC(Cl)F -91.8PredN
CPC(Cl)F5756114.484C2H5ClFP(chlorofluoromethyl)(methyl)phosphaneN105CPC(Cl)FInChI=1S/C2H5ClFP/c1-5-2(3)4/h2,5H,1H3InChIKey=UAOQVCZZXLJZQD-UHFFFAOYSA-N53.8Ex 53.80(BP est) -106.30(MP est) ----(BP exp) ----(MP exp) CPC(Cl)F -106.3PredN
ClCPCF5757114.484C2H5ClFP(chloromethyl)(fluoromethyl)phosphaneN105ClCPCFInChI=1S/C2H5ClFP/c3-1-5-2-4/h5H,1-2H2InChIKey=QQYXJOSXEDCOCQ-UHFFFAOYSA-N82.7Ex 82.73(BP est) -90.35(MP est) ----(BP exp) ----(MP exp) ClCPCF -90.4PredN
OCOC(Cl)(F)5758114.5C2H4ClFO2(chlorofluoromethoxy)methanolN106OCOC(Cl)(F)InChI=1S/C2H4ClFO2/c3-2(4)6-1-5/h2,5H,1H2InChIKey=WDXDWDXAEIMVIK-UHFFFAOYSA-N129.4Ex 129.37(BP est) -50.21(MP est) ----(BP exp) ----(MP exp) OCOC(Cl)(F) -50.2PredN
OC(F)OC(Cl)5759114.5C2H4ClFO2(chloromethoxy)fluoromethanolN106OC(F)OC(Cl)InChI=1S/C2H4ClFO2/c3-1-6-2(4)5/h2,5H,1H2InChIKey=NUIMIOPQIVJELM-UHFFFAOYSA-N134.4Ex 134.44(BP est) -48.73(MP est) ----(BP exp) ----(MP exp) OC(F)OC(Cl) -48.7PredN
OCC(O)(Cl)(F)5760114.5C2H4ClFO21-chloro-1-fluoroethane-1,2-diolN106OCC(O)(Cl)(F)InChI=1S/C2H4ClFO2/c3-2(4,6)1-5/h5-6H,1H2InChIKey=JKDTXUDWZDGHOE-UHFFFAOYSA-N151.3Ex 151.26(BP est) -15.81(MP est) ----(BP exp) ----(MP exp) OCC(O)(Cl)(F) -15.8PredN
OC(Cl)C(O)(F)5761114.5C2H4ClFO21-chloro-2-fluoroethane-1,2-diolN106OC(Cl)C(O)(F)InChI=1S/C2H4ClFO2/c3-1(5)2(4)6/h1-2,5-6HInChIKey=ZWIXARMXCVCVBR-UHFFFAOYSA-N161.8Ex 161.76(BP est) -28.96(MP est) ----(BP exp) ----(MP exp) OC(Cl)C(O)(F) -29PredN
OC(Cl)OC(F)5762114.5C2H4ClFO2chloro(fluoromethoxy)methanolN106OC(Cl)OC(F)InChI=1S/C2H4ClFO2/c3-2(5)6-1-4/h2,5H,1H2InChIKey=QNBRHUVGHAVWPN-UHFFFAOYSA-N121.9Ex 121.92(BP est) -52.39(MP est) ----(BP exp) ----(MP exp) OC(Cl)OC(F) -52.4PredN
OC(Cl)(F)OC5763114.5C2H4ClFO2chlorofluoro(methoxy)methanolN106OC(Cl)(F)OCInChI=1S/C2H4ClFO2/c1-6-2(3,4)5/h5H,1H3InChIKey=PABCABZMEUJKJH-UHFFFAOYSA-N88.4Ex 88.39(BP est) -53.47(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)OC -53.5PredN
C(CC(Cl)(F)F)5764114.52C3H5ClF21-chloro-1,1-difluoropropaneN116C(CC(Cl)(F)F)InChI=1S/C3H5ClF2/c1-2-3(4,5)6/h2H2,1H3InChIKey=ATJSHGXKPLTCEG-UHFFFAOYSA-N13.8Ex 13.77(BP est) -110.84(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)(F)F) -110.8PredN
C(C(F)C(Cl)F)5765114.52C3H5ClF21-chloro-1,2-difluoropropaneN116C(C(F)C(Cl)F)InChI=1S/C3H5ClF2/c1-2(5)3(4)6/h2-3H,1H3InChIKey=NCBHZPYEURSCDF-UHFFFAOYSA-N22.9Ex 22.87(BP est) -124.40(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Cl)F) -124.4PredN
C(F)(CC(Cl)F)5766114.52C3H5ClF21-chloro-1,3-difluoropropaneN116C(F)(CC(Cl)F)InChI=1S/C3H5ClF2/c4-3(6)1-2-5/h3H,1-2H2InChIKey=LNZUTFXDIIHSBH-UHFFFAOYSA-N38.8Ex 38.84(BP est) -112.24(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Cl)F) -112.2PredN
C(C(F)(F)CCl)5767114.52C3H5ClF21-chloro-2,2-difluoropropaneN116C(C(F)(F)CCl)InChI=1S/C3H5ClF2/c1-3(5,6)2-4/h2H2,1H3InChIKey=OOXYGJSMTMPTFW-UHFFFAOYSA-N55.1Ex 42.75(BP est) -102.38(MP est) 55.00(BP exp) -56.20(MP exp) C(C(F)(F)CCl) -56.2ExptN
C(Cl)(C(F)CF)5768114.52C3H5ClF21-chloro-2,3-difluoropropaneN116C(Cl)(C(F)CF)InChI=1S/C3H5ClF2/c4-1-3(6)2-5/h3H,1-2H2InChIKey=DYSDJMJINZRFLN-UHFFFAOYSA-N53.0Ex 53.02(BP est) -108.10(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)CF) -108.1PredN
C(C(Cl)C(F)F)5769114.52C3H5ClF22-chloro-1,1-difluoropropaneN116C(C(Cl)C(F)F)InChI=1S/C3H5ClF2/c1-2(4)3(5)6/h2-3H,1H3InChIKey=JYFZWZHSYZSPLO-UHFFFAOYSA-N22.9Ex 22.87(BP est) -124.40(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(F)F) -124.4PredN
C(C(Cl)(F)CF)5770114.52C3H5ClF22-chloro-1,2-difluoropropaneN116C(C(Cl)(F)CF)InChI=1S/C3H5ClF2/c1-3(4,6)2-5/h2H2,1H3InChIKey=JIVCNMKGQWHRGL-UHFFFAOYSA-N13.8Ex 13.77(BP est) -110.84(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(F)CF) -110.8PredN
C(F)(C(Cl)CF)5771114.52C3H5ClF22-chloro-1,3-difluoropropaneN116C(F)(C(Cl)CF)InChI=1S/C3H5ClF2/c4-3(1-5)2-6/h3H,1-2H2InChIKey=PDMNHCOWNZISJG-UHFFFAOYSA-N38.8Ex 38.84(BP est) -112.24(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)CF) -112.2PredN
C(Cl)(CC(F)F)5772114.52C3H5ClF23-chloro-1,1-difluoropropaneN116C(Cl)(CC(F)F)InChI=1S/C3H5ClF2/c4-2-1-3(5)6/h3H,1-2H2InChIKey=IOJZXSJSULVCME-UHFFFAOYSA-N73.0Ex 53.02(BP est) -108.10(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(F)F) -108.1PredN
CSC(Cl)(F)5773114.562C2H4ClFS(chlorofluoromethyl)(methyl)sulfaneN95CSC(Cl)(F)InChI=1S/C2H4ClFS/c1-5-2(3)4/h2H,1H3InChIKey=WCUMJUPRYKPARL-UHFFFAOYSA-N83.8Ex 83.81(BP est) -87.84(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(F) -87.8PredN
C(Cl)SC(F)5774114.562C2H4ClFS(chloromethyl)(fluoromethyl)sulfaneN95C(Cl)SC(F)InChI=1S/C2H4ClFS/c3-1-5-2-4/h1-2H2InChIKey=QUIZKRPYSRASBU-UHFFFAOYSA-N111.5Ex 111.50(BP est) -72.25(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(F) -72.3PredN
SC(Cl)(F)(C)5775114.562C2H4ClFS1-chloro-1-fluoroethane-1-thiolN95SC(Cl)(F)(C)InChI=1S/C2H4ClFS/c1-2(3,4)5/h5H,1H3InChIKey=SRQZSSBWMMACRG-UHFFFAOYSA-N75.4Ex 75.36(BP est) -80.56(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(C) -80.6PredN
SC(Cl)(CF)5776114.562C2H4ClFS1-chloro-2-fluoroethane-1-thiolN95SC(Cl)(CF)InChI=1S/C2H4ClFS/c3-2(5)1-4/h2,5H,1H2InChIKey=YBYPIUUQCNQACS-UHFFFAOYSA-N98.4Ex 98.42(BP est) -82.54(MP est) ----(BP exp) ----(MP exp) SC(Cl)(CF) -82.5PredN
SC(F)(CCl)5777114.562C2H4ClFS2-chloro-1-fluoroethane-1-thiolN95SC(F)(CCl)InChI=1S/C2H4ClFS/c3-1-2(4)5/h2,5H,1H2InChIKey=DVTYXUOFVZELAS-UHFFFAOYSA-N111.4Ex 111.43(BP est) -78.74(MP est) ----(BP exp) ----(MP exp) SC(F)(CCl) -78.7PredN
SC(C(Cl)F)5778114.562C2H4ClFS2-chloro-2-fluoroethane-1-thiolN95SC(C(Cl)F)InChI=1S/C2H4ClFS/c3-2(4)1-5/h2,5H,1H2InChIKey=VPBUXPKKCOWKDP-UHFFFAOYSA-N98.4Ex 98.42(BP est) -82.54(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)F) -82.5PredN
C(F)=C(Cl)(Cl)5782114.928C2HCl2F1,1-dichloro-2-fluoroetheneN65C(F)=C(Cl)(Cl)InChI=1S/C2HCl2F/c3-2(4)1-5/h1HInChIKey=MSHXSYMNYJAOSS-UHFFFAOYSA-N49.4Ex 49.43(BP est) -102.13(MP est) ----(BP exp) ----(MP exp) C(F)=C(Cl)(Cl) -102.1PredN
C(Cl)=C(Cl)(F)5783114.928C2HCl2F1,2-dichloro-1-fluoroetheneN65C(Cl)=C(Cl)(F)InChI=1S/C2HCl2F/c3-1-2(4)5/h1HInChIKey=LWDGFGTYBDRKHU-UHFFFAOYSA-N49.4Ex 49.43(BP est) -102.13(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(Cl)(F) -102.1PredN
OC(Cl)(C)Cl5784114.953C2H4Cl2O1,1-dichloroethan-1-olN95OC(Cl)(C)ClInChI=1S/C2H4Cl2O/c1-2(3,4)5/h5H,1H3InChIKey=DNBABSPIEDTPHK-UHFFFAOYSA-N99.3Ex 99.34(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C)Cl -46.7PredN
OC(CCl)Cl5785114.953C2H4Cl2O1,2-dichloroethan-1-olN95OC(CCl)ClInChI=1S/C2H4Cl2O/c3-1-2(4)5/h2,5H,1H2InChIKey=QXBDFCZHAAOUBY-UHFFFAOYSA-N156.6Ex 156.59(BP est) -38.71(MP est) ----(BP exp) ----(MP exp) OC(CCl)Cl -38.7PredN
OCC(Cl)Cl5786114.953C2H4Cl2O2,2-dichloroethan-1-olN95OCC(Cl)ClInChI=1S/C2H4Cl2O/c3-2(4)1-5/h2,5H,1H2InChIKey=IDJOCJAIQSKSOP-UHFFFAOYSA-N146.0Ex 151.72(BP est) -40.14(MP est) 146.00(BP exp) ----(MP exp) OCC(Cl)Cl -40.1PredN
C(Cl)OC(Cl)5787114.953C2H4Cl2Ochloro(chloromethoxy)methaneN95C(Cl)OC(Cl)InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2InChIKey=HRQGCQVOJVTVLU-UHFFFAOYSA-N104.9Ex 129.01(BP est) -58.56(MP est) 106.00(BP exp) -41.50(MP exp) C(Cl)OC(Cl) -41.5ExptN
COC(Cl)Cl5788114.953C2H4Cl2Odichloro(methoxy)methaneN95COC(Cl)ClInChI=1S/C2H4Cl2O/c1-5-2(3)4/h2H,1H3InChIKey=GRTGGSXWHGKRSB-UHFFFAOYSA-N86.0Ex 88.89(BP est) -77.77(MP est) ----(BP exp) ----(MP exp) COC(Cl)Cl -77.8PredN
NNC(Cl)Cl5789114.957CH4Cl2N2(dichloromethyl)hydrazineN95NNC(Cl)ClInChI=1S/CH4Cl2N2/c2-1(3)5-4/h1,5H,4H2InChIKey=OBICXSSDSUCYGO-UHFFFAOYSA-N146.8Ex 146.77(BP est) -9.67(MP est) ----(BP exp) ----(MP exp) NNC(Cl)Cl -9.7PredN
CNC(Cl)(F)(F)5790115.508C2H4ClF2N1-chloro-1,1-difluoro-N-methylmethanamineN106CNC(Cl)(F)(F)InChI=1S/C2H4ClF2N/c1-6-2(3,4)5/h6H,1H3InChIKey=LSKWBNGHZXQUDF-UHFFFAOYSA-N37.0Ex 36.98(BP est) -83.38(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(F)(F) -83.4PredN
NC(Cl)(F)(CF)5791115.508C2H4ClF2N1-chloro-1,2-difluoroethan-1-amineN106NC(Cl)(F)(CF)InChI=1S/C2H4ClF2N/c3-2(5,6)1-4/h1,6H2InChIKey=NRMUYGDOBUGNBA-UHFFFAOYSA-N57.3Ex 57.26(BP est) -62.15(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(CF) -62.2PredN
C(F)NC(Cl)(F)5792115.508C2H4ClF2N1-chloro-1-fluoro-N-(fluoromethyl)methanamineN106C(F)NC(Cl)(F)InChI=1S/C2H4ClF2N/c3-2(5)6-1-4/h2,6H,1H2InChIKey=UVNUAHBWTAKJBS-UHFFFAOYSA-N61.3Ex 61.30(BP est) -84.98(MP est) ----(BP exp) ----(MP exp) C(F)NC(Cl)(F) -85PredN
NC(Cl)(C(F)F)5793115.508C2H4ClF2N1-chloro-2,2-difluoroethan-1-amineN106NC(Cl)(C(F)F)InChI=1S/C2H4ClF2N/c3-1(6)2(4)5/h1-2H,6H2InChIKey=FPQGSEXFVZJTJE-UHFFFAOYSA-N65.9Ex 65.85(BP est) -75.86(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(F)F) -75.9PredN
NC(F)(F)(CCl)5794115.508C2H4ClF2N2-chloro-1,1-difluoroethan-1-amineN106NC(F)(F)(CCl)InChI=1S/C2H4ClF2N/c3-1-2(4,5)6/h1,6H2InChIKey=SHRIHIXPKYEMRA-UHFFFAOYSA-N84.6Ex 84.61(BP est) -54.17(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(CCl) -54.2PredN
NC(F)(C(Cl)F)5795115.508C2H4ClF2N2-chloro-1,2-difluoroethan-1-amineN106NC(F)(C(Cl)F)InChI=1S/C2H4ClF2N/c3-1(4)2(5)6/h1-2H,6H2InChIKey=FSWKITFPQPNPRW-UHFFFAOYSA-N65.9Ex 65.85(BP est) -75.86(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Cl)F) -75.9PredN
NC(C(Cl)(F)F)5796115.508C2H4ClF2N2-chloro-2,2-difluoroethan-1-amineN106NC(C(Cl)(F)F)InChI=1S/C2H4ClF2N/c3-2(4,5)1-6/h1,6H2InChIKey=SAOIWALCPKHWQI-UHFFFAOYSA-N57.3Ex 57.26(BP est) -62.15(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)(F)F) -62.2PredN
C(Cl)NC(F)(F)5797115.508C2H4ClF2NN-(chloromethyl)-1,1-difluoromethanamineN106C(Cl)NC(F)(F)InChI=1S/C2H4ClF2N/c3-1-6-2(4)5/h2,6H,1H2InChIKey=SZTHEYPSJVSUOM-UHFFFAOYSA-N75.1Ex 75.06(BP est) -80.97(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(F)(F) -81PredN
NOC(Cl)Cl5799115.941CH3Cl2NOO-(dichloromethyl)hydroxylamineN85NOC(Cl)ClInChI=1S/CH3Cl2NO/c2-1(3)5-4/h1H,4H2InChIKey=KOKLJBMFLYACBE-UHFFFAOYSA-N128.0Ex 128.02(BP est) -30.35(MP est) ----(BP exp) ----(MP exp) NOC(Cl)Cl -30.4PredN
O=PC(F)(F)F5800115.979CF3OPoxo(trifluoromethyl)phosphaneN66O=PC(F)(F)FInChI=1S/CF3OP/c2-1(3,4)6-5InChIKey=QKENRGOGPFKTBK-UHFFFAOYSA-N41.2Ex 41.17(BP est) -95.60(MP est) ----(BP exp) ----(MP exp) O=PC(F)(F)F -95.6PredN
O=P(C(F)F)O5802116.004CH3F2O2P(difluoromethyl)phosphinic acidN96O=P(C(F)F)OInChI=1S/CH3F2O2P/c2-1(3)6(4)5/h1,6H,(H,4,5)InChIKey=LZZWRDRLEFPEGW-UHFFFAOYSA-N153.8Ex 153.77(BP est) -49.50(MP est) ----(BP exp) ----(MP exp) O=P(C(F)F)O -49.5PredN
PC(CF)(F)F5804116.023C2H4F3P(1,1,2-trifluoroethyl)phosphaneN106PC(CF)(F)FInChI=1S/C2H4F3P/c3-1-2(4,5)6/h1,6H2InChIKey=LRMRDTFLPWFTNR-UHFFFAOYSA-N14.9Ex 14.93(BP est) -115.12(MP est) ----(BP exp) ----(MP exp) PC(CF)(F)F -115.1PredN
PC(F)C(F)F5805116.023C2H4F3P(1,2,2-trifluoroethyl)phosphaneN106PC(F)C(F)FInChI=1S/C2H4F3P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=WVLYHBIQOUQMRE-UHFFFAOYSA-N9.3Ex 9.32(BP est) -132.97(MP est) ----(BP exp) ----(MP exp) PC(F)C(F)F -133PredN
PCC(F)(F)F5806116.023C2H4F3P(2,2,2-trifluoroethyl)phosphaneN106PCC(F)(F)FInChI=1S/C2H4F3P/c3-2(4,5)1-6/h1,6H2InChIKey=CUPUMIKUQNWIBY-UHFFFAOYSA-N14.9Ex 14.93(BP est) -115.12(MP est) ----(BP exp) ----(MP exp) PCC(F)(F)F -115.1PredN
FCPC(F)F5807116.023C2H4F3P(difluoromethyl)(fluoromethyl)phosphaneN106FCPC(F)FInChI=1S/C2H4F3P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=FDPGQFCXYWZYDB-UHFFFAOYSA-N2.3Ex 2.31(BP est) -135.70(MP est) ----(BP exp) ----(MP exp) FCPC(F)F -135.7PredN
CPC(F)(F)F5808116.023C2H4F3Pmethyl(trifluoromethyl)phosphaneN106CPC(F)(F)FInChI=1S/C2H4F3P/c1-6-2(3,4)5/h6H,1H3InChIKey=CJAPJZSKSLYRTC-UHFFFAOYSA-N-8.6Ex -8.64(BP est) -130.19(MP est) ----(BP exp) ----(MP exp) CPC(F)(F)F -130.2PredN
C(F)SC(F)(F)5809116.101C2H3F3S(difluoromethyl)(fluoromethyl)sulfaneN96C(F)SC(F)(F)InChI=1S/C2H3F3S/c3-1-6-2(4)5/h2H,1H2InChIKey=FPIOUCIRMCUOFL-UHFFFAOYSA-N34.4Ex 34.41(BP est) -116.63(MP est) ----(BP exp) ----(MP exp) C(F)SC(F)(F) -116.6PredN
SC(F)(F)(CF)5810116.101C2H3F3S1,1,2-trifluoroethane-1-thiolN96SC(F)(F)(CF)InChI=1S/C2H3F3S/c3-1-2(4,5)6/h6H,1H2InChIKey=DXTSNKAVMJWEID-UHFFFAOYSA-N39.8Ex 39.76(BP est) -105.33(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(CF) -105.3PredN
SC(F)(C(F)F)5811116.101C2H3F3S1,2,2-trifluoroethane-1-thiolN96SC(F)(C(F)F)InChI=1S/C2H3F3S/c3-1(4)2(5)6/h1-2,6HInChIKey=LOIOGJZURNOUDO-UHFFFAOYSA-N34.3Ex 34.33(BP est) -123.12(MP est) ----(BP exp) ----(MP exp) SC(F)(C(F)F) -123.1PredN
SC(C(F)(F)F)5812116.101C2H3F3S2,2,2-trifluoroethane-1-thiolN96SC(C(F)(F)F)InChI=1S/C2H3F3S/c3-2(4,5)1-6/h6H,1H2InChIKey=RYRLLAOLJVDVNN-UHFFFAOYSA-N143.5Ex 39.76(BP est) -105.33(MP est) 34.50(BP exp) ----(MP exp) SC(C(F)(F)F) -105.3PredN
CSC(F)(F)(F)5813116.101C2H3F3Smethyl(trifluoromethyl)sulfaneN96CSC(F)(F)(F)InChI=1S/C2H3F3S/c1-6-2(3,4)5/h1H3InChIKey=VRSDIWXVAUOVEA-UHFFFAOYSA-N10.8Ex 23.88(BP est) -110.99(MP est) ----(BP exp) ----(MP exp) CSC(F)(F)(F) -111PredN
F[Si](CF)(O)F5814116.114CH3F3OSidifluoro(fluoromethyl)silanolN96F[Si](CF)(O)FInChI=1S/CH3F3OSi/c2-1-6(3,4)5/h5H,1H2InChIKey=BHRSCQFZOQRWLP-UHFFFAOYSA-N65.3Ex 65.26(BP est) -88.62(MP est) ----(BP exp) ----(MP exp) F[Si](CF)(O)F -88.6PredN
F[Si](F)(OC)F5815116.114CH3F3OSitrifluoro(methoxy)silaneN96F[Si](F)(OC)FInChI=1S/CH3F3OSi/c1-5-6(2,3)4/h1H3InChIKey=RIUPFSSMDYFUGA-UHFFFAOYSA-N-27.2Ex -27.16(BP est) -134.89(MP est) ----(BP exp) ----(MP exp) F[Si](F)(OC)F -134.9PredN
C\1=C\C=C/SS/15816116.196C4H4S21,2-dithiineN106C\1=C\C=C/SS/1InChI=1S/C4H4S2/c1-2-4-6-5-3-1/h1-4HInChIKey=RIYVKHUVXPAOPS-UHFFFAOYSA-N175.5Ex 175.47(BP est) 9.26(MP est) ----(BP exp) ----(MP exp) C\1=C\C=C/SS/1 9.3PredN
C1=CSC=CS15817116.196C4H4S21,4-dithiineN106C1=CSC=CS1InChI=1S/C4H4S2/c1-2-6-4-3-5-1/h1-4HInChIKey=AKAIWNDBVZJOAJ-UHFFFAOYSA-N175.5Ex 175.47(BP est) 9.26(MP est) ----(BP exp) ----(MP exp) C1=CSC=CS1 9.3PredN
C=C1S\C=C/S15818116.196C4H4S22-methylene-1,3-dithioleN106C=C1S\C=C/S1InChI=1S/C4H4S2/c1-4-5-2-3-6-4/h2-3H,1H2InChIKey=NBNMBFBYRFDTMS-UHFFFAOYSA-N165.5Ex 165.46(BP est) 14.55(MP est) ----(BP exp) ----(MP exp) C=C1S\C=C/S1 14.6PredN
C=C1C=CSS15819116.196C4H4S23-methylene-3H-1,2-dithioleN106C=C1C=CSS1InChI=1S/C4H4S2/c1-4-2-3-5-6-4/h2-3H,1H2InChIKey=UFENVNABCRWIRV-UHFFFAOYSA-N165.5Ex 165.46(BP est) 14.55(MP est) ----(BP exp) ----(MP exp) C=C1C=CSS1 14.6PredN
SC1=CC=CS15820116.196C4H4S2thiophene-2-thiolN106SC1=CC=CS1InChI=1S/C4H4S2/c5-4-2-1-3-6-4/h1-3,5HInChIKey=SWEDAZLCYJDAGW-UHFFFAOYSA-N44.5Ex 186.37(BP est) -0.04(MP est) ----(BP exp) ----(MP exp) SC1=CC=CS1 0PredY(Swiegers and Pretorius 2005)
SC1=CSC=C15821116.196C4H4S2thiophene-3-thiolN106SC1=CSC=C1InChI=1S/C4H4S2/c5-4-1-2-6-3-4/h1-3,5HInChIKey=VSGXHZUTTFLSBC-UHFFFAOYSA-N186.4Ex 186.37(BP est) -0.04(MP est) ----(BP exp) ----(MP exp) SC1=CSC=C1 0PredN
C(Cl)(F)=C(F)(F)5823116.467C2ClF31-chloro-1,2,2-trifluoroetheneN66C(Cl)(F)=C(F)(F)InChI=1S/C2ClF3/c3-1(4)2(5)6InChIKey=UUAGAQFQZIEFAH-UHFFFAOYSA-N-28.0Ex 7.53(BP est) -135.72(MP est) -27.80(BP exp) -158.00(MP exp) C(Cl)(F)=C(F)(F) -158ExptN
C(Cl)OC(F)(F)5825116.492C2H3ClF2O(chloromethoxy)difluoromethaneN96C(Cl)OC(F)(F)InChI=1S/C2H3ClF2O/c3-1-6-2(4)5/h2H,1H2InChIKey=SRNVXGLRJRFFOZ-UHFFFAOYSA-N54.0Ex 54.02(BP est) -102.32(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(F)(F) -102.3PredN
OC(Cl)(F)(CF)5826116.492C2H3ClF2O1-chloro-1,2-difluoroethan-1-olN96OC(Cl)(F)(CF)InChI=1S/C2H3ClF2O/c3-2(5,6)1-4/h6H,1H2InChIKey=RHLNWNRHKOCOIQ-UHFFFAOYSA-N65.0Ex 64.97(BP est) -71.12(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(CF) -71.1PredN
OC(Cl)(C(F)F)5827116.492C2H3ClF2O1-chloro-2,2-difluoroethan-1-olN96OC(Cl)(C(F)F)InChI=1S/C2H3ClF2O/c3-1(6)2(4)5/h1-2,6HInChIKey=GEIJSUNHFIHUTE-UHFFFAOYSA-N85.1Ex 85.05(BP est) -81.47(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(F)F) -81.5PredN
OC(F)(F)(CCl)5828116.492C2H3ClF2O2-chloro-1,1-difluoroethan-1-olN96OC(F)(F)(CCl)InChI=1S/C2H3ClF2O/c3-1-2(4,5)6/h6H,1H2InChIKey=CCZKGYUURJYYBO-UHFFFAOYSA-N92.0Ex 92.02(BP est) -63.23(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(CCl) -63.2PredN
OC(F)(C(Cl)F)5829116.492C2H3ClF2O2-chloro-1,2-difluoroethan-1-olN96OC(F)(C(Cl)F)InChI=1S/C2H3ClF2O/c3-1(4)2(5)6/h1-2,6HInChIKey=DWTOPCQBAPEZJF-UHFFFAOYSA-N85.1Ex 85.05(BP est) -81.47(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Cl)F) -81.5PredN
OC(C(Cl)(F)F)5830116.492C2H3ClF2O2-chloro-2,2-difluoroethan-1-olN96OC(C(Cl)(F)F)InChI=1S/C2H3ClF2O/c3-2(4,5)1-6/h6H,1H2InChIKey=KWSLNKPYNZTHLJ-UHFFFAOYSA-N87.0Ex 84.69(BP est) -65.37(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)(F)F) -65.4PredN
COC(Cl)(F)(F)5831116.492C2H3ClF2Ochlorodifluoro(methoxy)methaneN96COC(Cl)(F)(F)InChI=1S/C2H3ClF2O/c1-6-2(3,4)5/h1H3InChIKey=WMKAJZZKLBYUDI-UHFFFAOYSA-N14.8Ex 14.82(BP est) -105.06(MP est) ----(BP exp) ----(MP exp) COC(Cl)(F)(F) -105.1PredN
C(F)OC(Cl)(F)5832116.492C2H3ClF2Ochlorofluoro(fluoromethoxy)methaneN96C(F)OC(Cl)(F)InChI=1S/C2H3ClF2O/c3-2(5)6-1-4/h2H,1H2InChIKey=FRUYOIWNNUWQNS-UHFFFAOYSA-N39.9Ex 39.86(BP est) -106.46(MP est) ----(BP exp) ----(MP exp) C(F)OC(Cl)(F) -106.5PredN
NNC(Cl)(F)(F)5833116.496CH3ClF2N2(chlorodifluoromethyl)hydrazineN96NNC(Cl)(F)(F)InChI=1S/CH3ClF2N2/c2-1(3,4)6-5/h6H,5H2InChIKey=UKCOENKFNDWJQR-UHFFFAOYSA-N79.2Ex 79.16(BP est) -35.06(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(F)(F) -35.1PredN
ClC#CC1=CS15834116.562C4HClS2-(chloroethynyl)thiireneN76ClC#CC1=CS1InChI=1S/C4HClS/c5-2-1-4-3-6-4/h3HInChIKey=DXHSMISBTCQMAQ-UHFFFAOYSA-N153.5Ex 153.46(BP est) 9.61(MP est) ----(BP exp) ----(MP exp) ClC#CC1=CS1 9.6PredN
ClC(S1)=C1C#C5835116.562C4HClS2-chloro-3-ethynylthiireneN76ClC(S1)=C1C#CInChI=1S/C4HClS/c1-2-3-4(5)6-3/h1HInChIKey=UUSRFEKAESLBDL-UHFFFAOYSA-N143.3Ex 143.30(BP est) 17.00(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1C#C 17PredN
ClC(P)Cl5839116.909CH3Cl2P(dichloromethyl)phosphaneN74ClC(P)ClInChI=1S/CH3Cl2P/c2-1(3)4/h1H,4H2InChIKey=AWYDVYYDVPFOMZ-UHFFFAOYSA-N100.9Ex 100.86(BP est) -75.34(MP est) ----(BP exp) ----(MP exp) ClC(P)Cl -75.3PredN
C(C(Cl)(Cl)F)5840116.944C2H3Cl2F1,1-dichloro-1-fluoroethaneN85C(C(Cl)(Cl)F)InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3InChIKey=FRCHKSNAZZFGCA-UHFFFAOYSA-N32.0Ex 26.95(BP est) -97.97(MP est) 32.00(BP exp) -103.50(MP exp) C(C(Cl)(Cl)F) -103.5ExptN
C(F)(C(Cl)Cl)5841116.944C2H3Cl2F1,1-dichloro-2-fluoroethaneN85C(F)(C(Cl)Cl)InChI=1S/C2H3Cl2F/c3-2(4)1-5/h2H,1H2InChIKey=RGZHHTKDHXSAQQ-UHFFFAOYSA-N31.9Ex 65.49(BP est) -95.43(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)Cl) -95.4PredN
C(Cl)(C(Cl)F)5842116.944C2H3Cl2F1,2-dichloro-1-fluoroethaneN85C(Cl)(C(Cl)F)InChI=1S/C2H3Cl2F/c3-1-2(4)5/h2H,1H2InChIKey=NDKGUMMLYBINOC-UHFFFAOYSA-N73.8Ex 79.16(BP est) -91.43(MP est) 73.70(BP exp) -60.00(MP exp) C(Cl)(C(Cl)F) -60ExptN
SC(Cl)Cl5843116.987CH2Cl2SdichloromethanethiolN64SC(Cl)ClInChI=1S/CH2Cl2S/c2-1(3)4/h1,4HInChIKey=KJTJSBGBHDESSB-UHFFFAOYSA-N122.9Ex 122.86(BP est) -66.38(MP est) ----(BP exp) ----(MP exp) SC(Cl)Cl -66.4PredN
N#C\C=C(/S)S5844117.184C3H3NS23,3-dimercaptoacrylonitrileN96N#C\C=C(/S)SInChI=1S/C3H3NS2/c4-2-1-3(5)6/h1,5-6HInChIKey=KKCUOUDXRDUYPW-UHFFFAOYSA-N242.8Ex 242.84(BP est) -1.29(MP est) ----(BP exp) ----(MP exp) N#C\C=C(/S)S -1.3PredN
C#CSC(=S)N5845117.184C3H3NS2ethynyl carbamodithioateN96C#CSC(=S)NInChI=1S/C3H3NS2/c1-2-6-3(4)5/h1H,(H2,4,5)InChIKey=FVWLUMYONXGLCV-UHFFFAOYSA-N210.7Ex 210.66(BP est) 30.45(MP est) ----(BP exp) ----(MP exp) C#CSC(=S)N 30.5PredN
N#CC(=S)SC5846117.184C3H3NS2methyl carbonocyanidodithioateN96N#CC(=S)SCInChI=1S/C3H3NS2/c1-6-3(5)2-4/h1H3InChIKey=MFNPENJMDOIONN-UHFFFAOYSA-N229.8Ex 229.81(BP est) 24.53(MP est) ----(BP exp) ----(MP exp) N#CC(=S)SC 24.5PredN
S=C1/N=C\CS15847117.184C3H3NS2thiazole-2(5H)-thioneN96S=C1/N=C\CS1InChI=1S/C3H3NS2/c5-3-4-1-2-6-3/h1H,2H2InChIKey=AXYQBXNMZBBTID-UHFFFAOYSA-N251.7Ex 251.69(BP est) 54.72(MP est) ----(BP exp) ----(MP exp) S=C1/N=C\CS1 54.7PredN
SC1=NC=CS15848117.184C3H3NS2thiazole-2-thiolN96SC1=NC=CS1InChI=1S/C3H3NS2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)InChIKey=OCVLSHAVSIYKLI-UHFFFAOYSA-N195.9Ex 195.89(BP est) 22.16(MP est) ----(BP exp) ----(MP exp) SC1=NC=CS1 22.2PredN
S=C/1CS\C=N\15849117.184C3H3NS2thiazole-4(5H)-thioneN96S=C/1CS\C=N\1InChI=1S/C3H3NS2/c5-3-1-6-2-4-3/h2H,1H2InChIKey=HVOMZNUEIIDPOH-UHFFFAOYSA-N251.7Ex 251.69(BP est) 54.72(MP est) ----(BP exp) ----(MP exp) S=C/1CS\C=N\1 54.7PredN
Sc1ncsc15850117.184C3H3NS2thiazole-4-thiolN96Sc1ncsc1InChI=1S/C3H3NS2/c5-3-1-6-2-4-3/h1-2,5HInChIKey=ZDWVOYRAWVKGHA-UHFFFAOYSA-N195.9Ex 195.89(BP est) 22.16(MP est) ----(BP exp) ----(MP exp) Sc1ncsc1 22.2PredN
S=C1C\N=C/S15851117.184C3H3NS2thiazole-5(4H)-thioneN96S=C1C\N=C/S1InChI=1S/C3H3NS2/c5-3-1-4-2-6-3/h2H,1H2InChIKey=HCIWYOYBZDMBNJ-UHFFFAOYSA-N251.7Ex 251.69(BP est) 54.72(MP est) ----(BP exp) ----(MP exp) S=C1C\N=C/S1 54.7PredN
Sc1scnc15852117.184C3H3NS2thiazole-5-thiolN96Sc1scnc1InChI=1S/C3H3NS2/c5-3-1-4-2-6-3/h1-2,5HInChIKey=PKXGJLZKCTVTDR-UHFFFAOYSA-N195.9Ex 195.89(BP est) 22.16(MP est) ----(BP exp) ----(MP exp) Sc1scnc1 22.2PredN
NOC(F)(F)Cl5853117.48CH2ClF2NOO-(chlorodifluoromethyl)hydroxylamineN86NOC(F)(F)ClInChI=1S/CH2ClF2NO/c2-1(3,4)6-5/h5H2InChIKey=RPVOPRJTPGTABE-UHFFFAOYSA-N58.3Ex 58.25(BP est) -56.38(MP est) ----(BP exp) ----(MP exp) NOC(F)(F)Cl -56.4PredN
NC(Cl)(Cl)(F)5856117.932CH2Cl2FNdichlorofluoromethanamineN75NC(Cl)(Cl)(F)InChI=1S/CH2Cl2FN/c2-1(3,4)5/h5H2InChIKey=VMVVFKCTDYKCQS-UHFFFAOYSA-N69.7Ex 69.70(BP est) -49.49(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)(F) -49.5PredN
F[Si](F)(CF)F5859118.106CH2F4Sitrifluoro(fluoromethyl)silaneN86F[Si](F)(CF)FInChI=1S/CH2F4Si/c2-1-6(3,4)5/h1H2InChIKey=NVMHZKROPXJWJO-UHFFFAOYSA-N-54.3Ex -54.29(BP est) -153.63(MP est) ----(BP exp) ----(MP exp) F[Si](F)(CF)F -153.6PredN
C1=CSC(=O)S15860118.168C3H2OS21,3-dithiol-2-oneN86C1=CSC(=O)S1InChI=1S/C3H2OS2/c4-3-5-1-2-6-3/h1-2HInChIKey=FWLLWHCFLMXGDG-UHFFFAOYSA-N207.9Ex 207.86(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) C1=CSC(=O)S1 28.1PredN
C1=CSSC1=O5861118.168C3H2OS23H-1,2-dithiol-3-oneN86C1=CSSC1=OInChI=1S/C3H2OS2/c4-3-1-2-5-6-3/h1-2HInChIKey=SXUYADQBBAAFOO-UHFFFAOYSA-N207.9Ex 207.86(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) C1=CSSC1=O 28.1PredN
SC1=CSN=N15862118.172C2H2N2S21,2,3-thiadiazole-4-thiolN86SC1=CSN=N1InChI=1S/C2H2N2S2/c5-2-1-6-4-3-2/h1,5HInChIKey=JJJPTTANZGDADF-UHFFFAOYSA-N247.6Ex 247.55(BP est) 54.49(MP est) ----(BP exp) ----(MP exp) SC1=CSN=N1 54.5PredN
S=C\1SN/N=C/15863118.172C2H2N2S21,2,3-thiadiazole-5(2H)-thioneN86S=C\1SN/N=C/1InChI=1S/C2H2N2S2/c5-2-1-3-4-6-2/h1,4HInChIKey=QFCSRTHGBBTPLC-UHFFFAOYSA-N320.4Ex 320.36(BP est) 102.87(MP est) ----(BP exp) ----(MP exp) S=C\1SN/N=C/1 102.9PredN
S=C1\N=C/NS15864118.172C2H2N2S21,2,4-thiadiazole-5(2H)-thioneN86S=C1\N=C/NS1InChI=1S/C2H2N2S2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)InChIKey=CZLFQZFHKUHTMS-UHFFFAOYSA-N357.1Ex 357.13(BP est) 118.98(MP est) ----(BP exp) ----(MP exp) S=C1\N=C/NS1 119PredN
SC1=NN=CS15865118.172C2H2N2S21,3,4-thiadiazole-2-thiolN86SC1=NN=CS1InChI=1S/C2H2N2S2/c5-2-4-3-1-6-2/h1H,(H,4,5)InChIKey=JLAMDELLBBZOOX-UHFFFAOYSA-N247.6Ex 247.55(BP est) 54.49(MP est) ----(BP exp) ----(MP exp) SC1=NN=CS1 54.5PredN
C(=NC(=S)N)=S5866118.172C2H2N2S2carbamothioyl isothiocyanateN86C(=NC(=S)N)=SInChI=1S/C2H2N2S2/c3-2(6)4-1-5/h(H2,3,6)InChIKey=TWTASDFBNUMCSB-UHFFFAOYSA-N221.3Ex 221.27(BP est) 35.71(MP est) ----(BP exp) ----(MP exp) C(=NC(=S)N)=S 35.7PredN
S(SC=C)C=C5869118.212C4H6S21,2-divinyldisulfaneN126S(SC=C)C=CInChI=1S/C4H6S2/c1-3-5-6-4-2/h3-4H,1-2H2InChIKey=JEQYWIBQETUPEM-UHFFFAOYSA-N155.6Ex 155.57(BP est) -47.93(MP est) ----(BP exp) ----(MP exp) S(SC=C)C=C -47.9PredN
CSSC(C#C)5870118.212C4H6S21-methyl-2-(prop-2-yn-1-yl)disulfaneN126CSSC(C#C)InChI=1S/C4H6S2/c1-3-4-6-5-2/h1H,4H2,2H3InChIKey=ZOKHVYJOFKELMV-UHFFFAOYSA-N166.4Ex 166.39(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) CSSC(C#C) -19.5PredN
S1C[C@@H]1[C@@H]2SC25871118.212C4H6S22,2'-bithiiraneN126S1C[C@@H]1[C@@H]2SC2InChI=1S/C4H6S2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2InChIKey=SUJKJZIKQSNVTC-UHFFFAOYSA-N161.5Ex 161.47(BP est) 16.54(MP est) ----(BP exp) ----(MP exp) S1C[C@@H]1[C@@H]2SC2 16.5PredN
S1/C=C\SCC15872118.212C4H6S22,3-dihydro-1,4-dithiineN126S1/C=C\SCC1InChI=1S/C4H6S2/c1-2-6-4-3-5-1/h1-2H,3-4H2InChIKey=FLVUYLNVCUGFGX-UHFFFAOYSA-N172.7Ex 172.70(BP est) 8.07(MP est) ----(BP exp) ----(MP exp) S1/C=C\SCC1 8.1PredN
S1C(SCC1)=C5873118.212C4H6S22-methylene-1,3-dithiolaneN126S1C(SCC1)=CInChI=1S/C4H6S2/c1-4-5-2-3-6-4/h1-3H2InChIKey=YIKPJSQNULCKHB-UHFFFAOYSA-N162.6Ex 162.64(BP est) 13.35(MP est) ----(BP exp) ----(MP exp) S1C(SCC1)=C 13.4PredN
S\1SCC/C=C/15874118.212C4H6S23,4-dihydro-1,2-dithiineN126S\1SCC/C=C/1InChI=1S/C4H6S2/c1-2-4-6-5-3-1/h1,3H,2,4H2InChIKey=KRXAVBPUAIKSFF-UHFFFAOYSA-N172.7Ex 172.70(BP est) 8.07(MP est) ----(BP exp) ----(MP exp) S\1SCC/C=C/1 8.1PredY(Zoghbi et al. 1984)
CC1=C(C)SS15875118.212C4H6S23,4-dimethyl-1,2-dithieteN126CC1=C(C)SS1InChI=1S/C4H6S2/c1-3-4(2)6-5-3/h1-2H3InChIKey=LGCIOZYTJXEIDO-UHFFFAOYSA-N169.7Ex 169.68(BP est) 23.23(MP est) ----(BP exp) ----(MP exp) CC1=C(C)SS1 23.2PredN
S\1SC(/C=C/1)C5876118.212C4H6S23-methyl-3H-1,2-dithioleN126S\1SC(/C=C/1)CInChI=1S/C4H6S2/c1-4-2-3-5-6-4/h2-4H,1H3InChIKey=NKTXJFKBFZWDLD-UHFFFAOYSA-N164.6Ex 164.58(BP est) 5.34(MP est) ----(BP exp) ----(MP exp) S\1SC(/C=C/1)C 5.3PredY(Irwin et al. 2012)
C1\C=C/SCS15877118.212C4H6S24H-1,3-dithiineN126C1\C=C/SCS1InChI=1S/C4H6S2/c1-2-5-4-6-3-1/h1-2H,3-4H2InChIKey=FSCYPXBTOHREPQ-UHFFFAOYSA-N172.7Ex 172.70(BP est) 8.07(MP est) ----(BP exp) ----(MP exp) C1\C=C/SCS1 8.1PredN
S/1SCC(=C\1)\C5878118.212C4H6S24-methyl-3H-1,2-dithioleN126S/1SCC(=C\1)\CInChI=1S/C4H6S2/c1-4-2-5-6-3-4/h2H,3H2,1H3InChIKey=UHYMACQSUPLYEZ-UHFFFAOYSA-N168.9Ex 168.94(BP est) 14.99(MP est) ----(BP exp) ----(MP exp) S/1SCC(=C\1)\C 15PredY(Irwin et al. 2012)
S\1SC/C=C/1C5879118.212C4H6S25-methyl-3H-1,2-dithioleN126S\1SC/C=C/1CInChI=1S/C4H6S2/c1-4-2-3-5-6-4/h2H,3H2,1H3InChIKey=ZCSKFDIEYBVILK-UHFFFAOYSA-N168.9Ex 168.94(BP est) 14.99(MP est) ----(BP exp) ----(MP exp) S\1SC/C=C/1C 15PredY(Irwin et al. 2012)
C(=CS)C=CS5880118.212C4H6S2buta-1,3-diene-1,4-dithiolN126C(=CS)C=CSInChI=1S/C4H6S2/c5-3-1-2-4-6/h1-6HInChIKey=DBBTXVMUAMKPJT-UHFFFAOYSA-N196.7Ex 196.74(BP est) -37.17(MP est) ----(BP exp) ----(MP exp) C(=CS)C=CS -37.2PredN
PC(F)(Cl)F5881118.448CH2ClF2P(chlorodifluoromethyl)phosphaneN75PC(F)(Cl)FInChI=1S/CH2ClF2P/c2-1(3,4)5/h5H2InChIKey=USWCRWCJQJAQFQ-UHFFFAOYSA-N28.1Ex 28.08(BP est) -102.25(MP est) ----(BP exp) ----(MP exp) PC(F)(Cl)F -102.3PredN
C(F)(C(Cl)(F)F)5882118.483C2H2ClF31-chloro-1,1,2-trifluoroethaneN86C(F)(C(Cl)(F)F)InChI=1S/C2H2ClF3/c3-2(5,6)1-4/h1H2InChIKey=HILNUELUDBMBJQ-UHFFFAOYSA-N12.0Ex -11.02(BP est) -123.42(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)(F)F) -123.4PredN
C(Cl)(F)(C(F)F)5883118.483C2H2ClF31-chloro-1,2,2-trifluoroethaneN86C(Cl)(F)(C(F)F)InChI=1S/C2H2ClF3/c3-1(4)2(5)6/h1-2HInChIKey=FWAQVJAOVDYHAF-UHFFFAOYSA-N17.0Ex -1.65(BP est) -136.90(MP est) 17.00(BP exp) ----(MP exp) C(Cl)(F)(C(F)F) -136.9PredN
C(Cl)(C(F)(F)F)5884118.483C2H2ClF32-chloro-1,1,1-trifluoroethaneN86C(Cl)(C(F)(F)F)InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2InChIKey=CYXIKYKBLDZZNW-UHFFFAOYSA-N6.0Ex 18.85(BP est) -114.70(MP est) 6.10(BP exp) -105.50(MP exp) C(Cl)(C(F)(F)F) -105.5ExptN
ClC(PC#C)=C5885118.5C4H4ClP(1-chlorovinyl)(ethynyl)phosphaneN106ClC(PC#C)=CInChI=1S/C4H4ClP/c1-3-6-4(2)5/h1,6H,2H2InChIKey=NRSVKHJBHRKPIU-UHFFFAOYSA-N100.4Ex 100.41(BP est) -58.59(MP est) ----(BP exp) ----(MP exp) ClC(PC#C)=C -58.6PredN
ClC=CPC#C5886118.5C4H4ClP(2-chlorovinyl)(ethynyl)phosphaneN106ClC=CPC#CInChI=1S/C4H4ClP/c1-2-6-4-3-5/h1,3-4,6HInChIKey=LXWRXCZHQMZWLU-UHFFFAOYSA-N116.0Ex 115.96(BP est) -48.73(MP est) ----(BP exp) ----(MP exp) ClC=CPC#C -48.7PredN
C=CPC#CCl5887118.5C4H4ClP(chloroethynyl)(vinyl)phosphaneN106C=CPC#CClInChI=1S/C4H4ClP/c1-2-6-4-3-5/h2,6H,1H2InChIKey=VLJRCZGLBIGLFW-UHFFFAOYSA-N115.7Ex 115.74(BP est) -17.57(MP est) ----(BP exp) ----(MP exp) C=CPC#CCl -17.6PredN
ClC#CP1CC15888118.5C4H4ClP1-(chloroethynyl)phosphiraneN106ClC#CP1CC1InChI=1S/C4H4ClP/c5-1-2-6-3-4-6/h3-4H2InChIKey=PKBPPQUNGDYQTA-UHFFFAOYSA-N127.0Ex 126.95(BP est) -1.25(MP est) ----(BP exp) ----(MP exp) ClC#CP1CC1 -1.3PredN
C#CP1C(Cl)C15889118.5C4H4ClP2-chloro-1-ethynylphosphiraneN106C#CP1C(Cl)C1InChI=1S/C4H4ClP/c1-2-6-3-4(6)5/h1,4H,3H2InChIKey=KAUWPERXSRKZNG-UHFFFAOYSA-N126.3Ex 126.26(BP est) -33.14(MP est) ----(BP exp) ----(MP exp) C#CP1C(Cl)C1 -33.1PredN
ClC1=CC=CP15890118.5C4H4ClP2-chloro-1H-phospholeN106ClC1=CC=CP1InChI=1S/C4H4ClP/c5-4-2-1-3-6-4/h1-3,6HInChIKey=SGQHXLUPVQELGS-UHFFFAOYSA-N117.6Ex 117.58(BP est) -52.85(MP est) ----(BP exp) ----(MP exp) ClC1=CC=CP1 -52.9PredN
ClC1=CPC=C15891118.5C4H4ClP3-chloro-1H-phospholeN106ClC1=CPC=C1InChI=1S/C4H4ClP/c5-4-1-2-6-3-4/h1-3,6HInChIKey=BJLRJLOFCRAYRB-UHFFFAOYSA-N117.6Ex 117.58(BP est) -52.85(MP est) ----(BP exp) ----(MP exp) ClC1=CPC=C1 -52.9PredN
SC(Cl)(F)(F)5892118.526CHClF2SchlorodifluoromethanethiolN65SC(Cl)(F)(F)InChI=1S/CHClF2S/c2-1(3,4)5/h5HInChIKey=HIZHJMOQMDGNDB-UHFFFAOYSA-N52.5Ex 52.50(BP est) -92.58(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(F) -92.6PredN
ClC(C1=CS1)=C5893118.578C4H3ClS2-(1-chlorovinyl)thiireneN96ClC(C1=CS1)=CInChI=1S/C4H3ClS/c1-3(5)4-2-6-4/h2H,1H2InChIKey=KRDIDHKMRKKYDN-UHFFFAOYSA-N129.4Ex 129.44(BP est) -24.65(MP est) ----(BP exp) ----(MP exp) ClC(C1=CS1)=C -24.7PredN
ClC=CC1=CS15894118.578C4H3ClS2-(2-chlorovinyl)thiireneN96ClC=CC1=CS1InChI=1S/C4H3ClS/c5-2-1-4-3-6-4/h1-3HInChIKey=SRVIZPQAQHDMPB-UHFFFAOYSA-N144.3Ex 144.26(BP est) -15.00(MP est) ----(BP exp) ----(MP exp) ClC=CC1=CS1 -15PredN
ClC#CC1CS15895118.578C4H3ClS2-(chloroethynyl)thiiraneN96ClC#CC1CS1InChI=1S/C4H3ClS/c5-2-1-4-3-6-4/h4H,3H2InChIKey=PUVXJCOCNWJNOT-UHFFFAOYSA-N146.1Ex 146.06(BP est) 1.99(MP est) ----(BP exp) ----(MP exp) ClC#CC1CS1 2PredN
ClC1(C#C)CS15896118.578C4H3ClS2-chloro-2-ethynylthiiraneN96ClC1(C#C)CS1InChI=1S/C4H3ClS/c1-2-4(5)3-6-4/h1H,3H2InChIKey=ISBMJNGTYSXJOQ-UHFFFAOYSA-N127.7Ex 127.71(BP est) 9.38(MP est) ----(BP exp) ----(MP exp) ClC1(C#C)CS1 9.4PredN
ClC1C(C#C)S15897118.578C4H3ClS2-chloro-3-ethynylthiiraneN96ClC1C(C#C)S1InChI=1S/C4H3ClS/c1-2-3-4(5)6-3/h1,3-4HInChIKey=VIBONERMIYRGOW-UHFFFAOYSA-N145.4Ex 145.39(BP est) 0.48(MP est) ----(BP exp) ----(MP exp) ClC1C(C#C)S1 0.5PredN
ClC(S1)=C1C=C5898118.578C4H3ClS2-chloro-3-vinylthiireneN96ClC(S1)=C1C=CInChI=1S/C4H3ClS/c1-2-3-4(5)6-3/h2H,1H2InChIKey=XBTQHBARPYAJLL-UHFFFAOYSA-N133.7Ex 133.71(BP est) -10.16(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1C=C -10.2PredN
ClC1CC2=C1S25899118.578C4H3ClS2-chloro-5-thiabicyclo[2.1.0]pent-1(4)-eneN96ClC1CC2=C1S2InChI=1S/C4H3ClS/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=FRXJVRPRPIBFLQ-UHFFFAOYSA-N151.3Ex 151.29(BP est) 6.58(MP est) ----(BP exp) ----(MP exp) ClC1CC2=C1S2 6.6PredN
ClC1[Si]2(C1)CC25900118.635C4H7ClSi1-chloro-3-silaspiro[2.2]pentaneN136ClC1[Si]2(C1)CC2InChI=1S/C4H7ClSi/c5-4-3-6(4)1-2-6/h4H,1-3H2InChIKey=GTDCNMNNEJWOJH-UHFFFAOYSA-N70.9Ex 70.86(BP est) -22.34(MP est) ----(BP exp) ----(MP exp) ClC1[Si]2(C1)CC2 -22.3PredN
OC(Cl)(Cl)(F)5904118.916CHCl2FOdichlorofluoromethanolN65OC(Cl)(Cl)(F)InChI=1S/CHCl2FO/c2-1(3,4)5/h5HInChIKey=JFOCCTMRMSKKPE-UHFFFAOYSA-N77.3Ex 77.28(BP est) -58.50(MP est) ----(BP exp) ----(MP exp) OC(Cl)(Cl)(F) -58.5PredN
ClC#CC#CCl5905118.944C4Cl21,4-dichlorobuta-1,3-diyneN66ClC#CC#CClInChI=1S/C4Cl2/c5-3-1-2-4-6InChIKey=XDTVIHOLVAAOBQ-UHFFFAOYSA-N130.2Ex 130.20(BP est) 5.20(MP est) ----(BP exp) ----(MP exp) ClC#CC#CCl 5.2PredN
BrC1=CC15907118.961C3H3Br1-bromocycloprop-1-eneN74BrC1=CC1InChI=1S/C3H3Br/c4-3-1-2-3/h1H,2H2InChIKey=LATAADIOAQCNOM-UHFFFAOYSA-N90.0Ex 90.02(BP est) -57.71(MP est) ----(BP exp) ----(MP exp) BrC1=CC1 -57.7PredN
CC#CBr5908118.961C3H3Br1-bromoprop-1-yneN74CC#CBrInChI=1S/C3H3Br/c1-2-3-4/h1H3InChIKey=XXFUZSHTIOFGNV-UHFFFAOYSA-N64.5Ex 95.34(BP est) -20.84(MP est) ----(BP exp) ----(MP exp) CC#CBr -20.8PredN
BrC1C=C15909118.961C3H3Br3-bromocycloprop-1-eneN74BrC1C=C1InChI=1S/C3H3Br/c4-3-1-2-3/h1-3HInChIKey=ONXWCHUYJIEYKH-UHFFFAOYSA-N85.0Ex 85.03(BP est) -67.55(MP est) ----(BP exp) ----(MP exp) BrC1C=C1 -67.6PredN
BrCC#C5910118.961C3H3Br3-bromoprop-1-yneN74BrCC#CInChI=1S/C3H3Br/c1-2-3-4/h1H,3H2InChIKey=YORCIIVHUBAYBQ-UHFFFAOYSA-N87.2Ex 86.24(BP est) -53.06(MP est) 89.00(BP exp) ----(MP exp) BrCC#C -53.1PredN
S=C1N\N=N/S15913119.16CHN3S21,2,3,4-thiatriazole-5(4H)-thioneN76S=C1N\N=N/S1InChI=1S/CHN3S2/c5-1-2-3-4-6-1/h(H,2,4,5)InChIKey=JXHQJFDFNIEQCR-UHFFFAOYSA-N328.7Ex 328.74(BP est) 112.95(MP est) ----(BP exp) ----(MP exp) S=C1N\N=N/S1 113PredN
S=C=NCSC5915119.2C3H5NS2(isothiocyanatomethyl)(methyl)sulfaneN116S=C=NCSCInChI=1S/C3H5NS2/c1-6-3-4-2-5/h3H2,1H3InChIKey=FMUSRYGVUKCYAD-UHFFFAOYSA-N178.1Ex 178.08(BP est) -14.89(MP est) ----(BP exp) ----(MP exp) S=C=NCSC -14.9PredN
C1CSC(=N)S15916119.2C3H5NS21,3-dithiolan-2-imineN116C1CSC(=N)S1InChI=1S/C3H5NS2/c4-3-5-1-2-6-3/h4H,1-2H2InChIKey=MQCJIZHQXNUAQQ-UHFFFAOYSA-N210.8Ex 210.80(BP est) 36.72(MP est) ----(BP exp) ----(MP exp) C1CSC(=N)S1 36.7PredN
SC1N\C=C/S15917119.2C3H5NS22,3-dihydrothiazole-2-thiolN116SC1N\C=C/S1InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-5HInChIKey=VQRWKFKETIQVSP-UHFFFAOYSA-N212.0Ex 211.97(BP est) 33.74(MP est) ----(BP exp) ----(MP exp) SC1N\C=C/S1 33.7PredN
S\C1=C\SCN15918119.2C3H5NS22,3-dihydrothiazole-4-thiolN116S\C1=C\SCN1InChI=1S/C3H5NS2/c5-3-1-6-2-4-3/h1,4-5H,2H2InChIKey=ZYHDFWKHJXMUEH-UHFFFAOYSA-N215.9Ex 215.90(BP est) 33.74(MP est) ----(BP exp) ----(MP exp) S\C1=C\SCN1 33.7PredN
SC1/N=C\CS15919119.2C3H5NS22,5-dihydrothiazole-2-thiolN116SC1/N=C\CS1InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1,3,5H,2H2InChIKey=CTPIDGUTXPVZMY-UHFFFAOYSA-N192.7Ex 192.71(BP est) 23.19(MP est) ----(BP exp) ----(MP exp) SC1/N=C\CS1 23.2PredN
N1C\C=C/SS15920119.2C3H5NS23,4-dihydro-1,2,3-dithiazineN116N1C\C=C/SS1InChI=1S/C3H5NS2/c1-2-4-6-5-3-1/h1,3-4H,2H2InChIKey=AXUZCGZEDOXXJN-UHFFFAOYSA-N205.6Ex 205.58(BP est) 35.46(MP est) ----(BP exp) ----(MP exp) N1C\C=C/SS1 35.5PredN
C1CSC(=N1)S5921119.2C3H5NS24,5-dihydrothiazole-2-thiolN116C1CSC(=N1)SInChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=WGJCBBASTRWVJL-UHFFFAOYSA-N196.8Ex 196.82(BP est) 22.27(MP est) ----(BP exp) ----(MP exp) C1CSC(=N1)S 22.3PredN
S=C1SCCN15922119.2C3H5NS2thiazolidine-2-thioneN116S=C1SCCN1InChI=1S/C3H5NS2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=WGJCBBASTRWVJL-UHFFFAOYSA-N266.0Ex 266.01(BP est) 63.82(MP est) ----(BP exp) 106.00(MP exp) S=C1SCCN1 106ExptN
S=C1NCSC15923119.2C3H5NS2thiazolidine-4-thioneN116S=C1NCSC1InChI=1S/C3H5NS2/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)InChIKey=QFPFAMXSPHDRJE-UHFFFAOYSA-N266.0Ex 266.01(BP est) 63.82(MP est) ----(BP exp) ----(MP exp) S=C1NCSC1 63.8PredN
ClC(Cl)Cl5924119.369CHCl3chloroformN54ClC(Cl)ClInChI=1S/CHCl3/c2-1(3)4/h1HInChIKey=HEDRZPFGACZZDS-UHFFFAOYSA-N61.1Ex 91.18(BP est) -78.90(MP est) 61.10(BP exp) -63.60(MP exp) ClC(Cl)Cl -63.6ExptY(Pyysalo 1976)
BrC1=CN15927119.949C2H2BrN2-bromo-1H-azirineN64BrC1=CN1InChI=1S/C2H2BrN/c3-2-1-4-2/h1,4HInChIKey=AEOAUTGWPSHXLK-UHFFFAOYSA-N128.2Ex 128.19(BP est) 0.31(MP est) ----(BP exp) ----(MP exp) BrC1=CN1 0.3PredN
CP(C)(=S)C=C5934120.15C4H9PSdimethyl(vinyl)phosphine sulfideN156CP(C)(=S)C=CInChI=1S/C4H9PS/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=NXUGOAAFCCSBII-UHFFFAOYSA-N119.0Ex 118.98(BP est) -135.32(MP est) ----(BP exp) ----(MP exp) CP(C)(=S)C=C -135.3PredN
O=C1CCSS15935120.184C3H4OS21,2-dithiolan-3-oneN106O=C1CCSS1InChI=1S/C3H4OS2/c4-3-1-2-5-6-3/h1-2H2InChIKey=ABKHSPVBWFZTMB-UHFFFAOYSA-N205.3Ex 205.29(BP est) 26.82(MP est) ----(BP exp) ----(MP exp) O=C1CCSS1 26.8PredN
O=C1SCCS15936120.184C3H4OS21,3-dithiolan-2-oneN106O=C1SCCS1InChI=1S/C3H4OS2/c4-3-5-1-2-6-3/h1-2H2InChIKey=ZBEWVJOWXJNDGJ-UHFFFAOYSA-N205.3Ex 205.29(BP est) 26.82(MP est) ----(BP exp) ----(MP exp) O=C1SCCS1 26.8PredN
O=CC(\S)=C\S5937120.184C3H4OS22,3-dimercaptoacrylaldehydeN106O=CC(\S)=C\SInChI=1S/C3H4OS2/c4-1-3(6)2-5/h1-2,5-6HInChIKey=SEUXXVJFLCZDMH-UHFFFAOYSA-N215.5Ex 215.47(BP est) -20.78(MP est) ----(BP exp) ----(MP exp) O=CC(\S)=C\S -20.8PredN
C1C=CS(=O)S15938120.184C3H4OS23H-1,2-dithiole 1-oxideN106C1C=CS(=O)S1InChI=1S/C3H4OS2/c4-6-3-1-2-5-6/h1,3H,2H2InChIKey=IIITWBVLSPPCSL-UHFFFAOYSA-N221.5Ex 221.50(BP est) 31.48(MP est) ----(BP exp) ----(MP exp) C1C=CS(=O)S1 31.5PredN
O\1SS/C=C/1C5939120.184C3H4OS25-methyl-1,2,3-oxadithioleN106O\1SS/C=C/1CInChI=1S/C3H4OS2/c1-3-2-5-6-4-3/h2H,1H3InChIKey=KJBROCNTQJIAAF-UHFFFAOYSA-N174.7Ex 174.65(BP est) 24.31(MP est) ----(BP exp) ----(MP exp) O\1SS/C=C/1C 24.3PredN
SN1N\C=C/S15940120.188C2H4N2S21,2,3-thiadiazole-2(3H)-thiolN106SN1N\C=C/S1InChI=1S/C2H4N2S2/c5-4-3-1-2-6-4/h1-3,5HInChIKey=NBNQOWVYEXFQJC-UHFFFAOYSA-N220.8Ex 220.75(BP est) 47.96(MP est) ----(BP exp) ----(MP exp) SN1N\C=C/S1 48PredN
N=C1NCSS15941120.188C2H4N2S21,2,4-dithiazolidin-3-imineN106N=C1NCSS1InChI=1S/C2H4N2S2/c3-2-4-1-5-6-2/h1H2,(H2,3,4)InChIKey=LMFHGHUBFHAEDE-UHFFFAOYSA-N240.9Ex 240.93(BP est) 73.36(MP est) ----(BP exp) ----(MP exp) N=C1NCSS1 73.4PredN
S=C(N)C(N)=S5942120.188C2H4N2S2ethanebis(thioamide)N106S=C(N)C(N)=SInChI=1S/C2H4N2S2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)InChIKey=OAEGRYMCJYIXQT-UHFFFAOYSA-N287.8Ex 244.50(BP est) 62.60(MP est) ----(BP exp) 170.00(MP exp) S=C(N)C(N)=S 170ExptN
C(C1)SSC(C1)5943120.228C4H8S21,2-dithianeN146C(C1)SSC(C1)InChI=1S/C4H8S2/c1-2-4-6-5-3-1/h1-4H2InChIKey=CXWGKAYMVASWDQ-UHFFFAOYSA-N169.9Ex 169.92(BP est) 6.88(MP est) ----(BP exp) 32.50(MP exp) C(C1)SSC(C1) 32.5ExptN
S1CSCCC15944120.228C4H8S21,3-dithianeN146S1CSCCC1InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2InChIKey=WQADWIOXOXRPLN-UHFFFAOYSA-N177.5Ex 169.92(BP est) 6.88(MP est) ----(BP exp) 54.00(MP exp) S1CSCCC1 54ExptY(DNP 2017)
S1CCSCC15945120.228C4H8S21,4-dithianeN146S1CCSCC1InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2InChIKey=LOZWAPSEEHRYPG-UHFFFAOYSA-N202.3Ex 169.92(BP est) 6.88(MP est) 199.50(BP exp) 112.30(MP exp) S1CCSCC1 112.3ExptY(DNP 2017)
CSSC(C=C)5946120.228C4H8S21-allyl-2-methyldisulfaneN146CSSC(C=C)InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3InChIKey=XNZOTQPMYMCTBZ-UHFFFAOYSA-N157.2Ex 157.20(BP est) -46.58(MP est) ----(BP exp) ----(MP exp) CSSC(C=C) -46.6PredY(Irwin et al. 2012, DNP 2017)
CSSC(C1)(C1)5947120.228C4H8S21-cyclopropyl-2-methyldisulfaneN146CSSC(C1)(C1)InChI=1S/C4H8S2/c1-5-6-4-2-3-4/h4H,2-3H2,1H3InChIKey=QHWSETZOEXLGAU-UHFFFAOYSA-N162.5Ex 162.50(BP est) -35.18(MP est) ----(BP exp) ----(MP exp) CSSC(C1)(C1) -35.2PredN
C=CSSCC5948120.228C4H8S21-ethyl-2-vinyldisulfaneN146C=CSSCCInChI=1S/C4H8S2/c1-3-5-6-4-2/h3H,1,4H2,2H3InChIKey=RGLOFSOIVYOLPM-UHFFFAOYSA-N157.2Ex 157.20(BP est) -46.58(MP est) ----(BP exp) ----(MP exp) C=CSSCC -46.6PredY(DNP 2017)
C/C=C/SSC5949120.228C4H8S21-methyl-2-(prop-1-en-1-yl)disulfaneN146C/C=C/SSCInChI=1S/C4H8S2/c1-3-4-6-5-2/h3-4H,1-2H3InChIKey=FUDUFCLRGSEHAJ-UHFFFAOYSA-N165.5Ex 165.47(BP est) -45.82(MP est) ----(BP exp) ----(MP exp) C/C=C/SSC -45.8PredY(Irwin et al. 2012, DNP 2017)
CC1SCCS15950120.228C4H8S22-methyl-1,3-dithiolaneN146CC1SCCS1InChI=1S/C4H8S2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3InChIKey=CARJCVDELAMAEJ-UHFFFAOYSA-N161.8Ex 161.76(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) CC1SCCS1 4.1PredN
CSC(SC)=C5951120.228C4H8S2ethene-1,1-diylbis(methylsulfane)N146CSC(SC)=CInChI=1S/C4H8S2/c1-4(5-2)6-3/h1H2,2-3H3InChIKey=GGCGAESAURTGKY-UHFFFAOYSA-N151.2Ex 151.23(BP est) -55.30(MP est) ----(BP exp) ----(MP exp) CSC(SC)=C -55.3PredN
CCSC(C)=S5952120.228C4H8S2ethyl ethanedithioateN146CCSC(C)=SInChI=1S/C4H8S2/c1-3-6-4(2)5/h3H2,1-2H3InChIKey=KCOPWUJJPSTRIZ-UHFFFAOYSA-N170.0Ex 169.96(BP est) -19.81(MP est) ----(BP exp) ----(MP exp) CCSC(C)=S -19.8PredN
O=PC(Cl)C#C5954120.472C3H2ClOP(1-chloroprop-2-yn-1-yl)(oxo)phosphaneN86O=PC(Cl)C#CInChI=1S/C3H2ClOP/c1-2-3(4)6-5/h1,3HInChIKey=XSEKVPWRRBTVPV-UHFFFAOYSA-N151.6Ex 151.57(BP est) -23.24(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)C#C -23.2PredN
O=PCC#CCl5955120.472C3H2ClOP(3-chloroprop-2-yn-1-yl)(oxo)phosphaneN86O=PCC#CClInChI=1S/C3H2ClOP/c4-2-1-3-6-5/h3H2InChIKey=OHENRQXLOMSXLM-UHFFFAOYSA-N159.1Ex 159.07(BP est) 16.01(MP est) ----(BP exp) ----(MP exp) O=PCC#CCl 16PredN
ClC(P)CC#C5956120.516C4H6ClP(1-chlorobut-3-yn-1-yl)phosphaneN126ClC(P)CC#CInChI=1S/C4H6ClP/c1-2-3-4(5)6/h1,4H,3,6H2InChIKey=OVQAJHNEKCUSEC-UHFFFAOYSA-N129.4Ex 129.42(BP est) -41.58(MP est) ----(BP exp) ----(MP exp) ClC(P)CC#C -41.6PredN
ClCC(P)C#C5957120.516C4H6ClP(1-chlorobut-3-yn-2-yl)phosphaneN126ClCC(P)C#CInChI=1S/C4H6ClP/c1-2-4(6)3-5/h1,4H,3,6H2InChIKey=HWFUDOWWWGMZNX-UHFFFAOYSA-N141.8Ex 141.78(BP est) -37.97(MP est) ----(BP exp) ----(MP exp) ClCC(P)C#C -38PredN
ClC1(P)CC=C15958120.516C4H6ClP(1-chlorocyclobut-2-en-1-yl)phosphaneN126ClC1(P)CC=C1InChI=1S/C4H6ClP/c5-4(6)2-1-3-4/h1-2H,3,6H2InChIKey=XBSXRVNQGKDKFL-UHFFFAOYSA-N119.6Ex 119.57(BP est) -40.90(MP est) ----(BP exp) ----(MP exp) ClC1(P)CC=C1 -40.9PredN
ClC(PC#C)C5959120.516C4H6ClP(1-chloroethyl)(ethynyl)phosphaneN126ClC(PC#C)CInChI=1S/C4H6ClP/c1-3-6-4(2)5/h1,4,6H,2H3InChIKey=GCUJEKHVFARPLZ-UHFFFAOYSA-N109.4Ex 109.42(BP est) -55.60(MP est) ----(BP exp) ----(MP exp) ClC(PC#C)C -55.6PredN
CPC(C#C)Cl5960120.516C4H6ClP(1-chloroprop-2-yn-1-yl)(methyl)phosphaneN126CPC(C#C)ClInChI=1S/C4H6ClP/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=DKNMCCSCCWZVRP-UHFFFAOYSA-N109.4Ex 109.42(BP est) -55.60(MP est) ----(BP exp) ----(MP exp) CPC(C#C)Cl -55.6PredN
C=CPC(Cl)=C5961120.516C4H6ClP(1-chlorovinyl)(vinyl)phosphaneN126C=CPC(Cl)=CInChI=1S/C4H6ClP/c1-3-6-4(2)5/h3,6H,1-2H2InChIKey=JEVLURZDIPXHQR-UHFFFAOYSA-N90.1Ex 90.11(BP est) -85.96(MP est) ----(BP exp) ----(MP exp) C=CPC(Cl)=C -86PredN
ClC(C#C)CP5962120.516C4H6ClP(2-chlorobut-3-yn-1-yl)phosphaneN126ClC(C#C)CPInChI=1S/C4H6ClP/c1-2-4(5)3-6/h1,4H,3,6H2InChIKey=QESLKJCNWPIKTM-UHFFFAOYSA-N129.4Ex 129.42(BP est) -41.58(MP est) ----(BP exp) ----(MP exp) ClC(C#C)CP -41.6PredN
ClC(C#C)(P)C5963120.516C4H6ClP(2-chlorobut-3-yn-2-yl)phosphaneN126ClC(C#C)(P)CInChI=1S/C4H6ClP/c1-3-4(2,5)6/h1H,6H2,2H3InChIKey=FFJOOLXAURRZIH-UHFFFAOYSA-N107.5Ex 107.49(BP est) -39.27(MP est) ----(BP exp) ----(MP exp) ClC(C#C)(P)C -39.3PredN
ClC1=CCC1P5964120.516C4H6ClP(2-chlorocyclobut-2-en-1-yl)phosphaneN126ClC1=CCC1PInChI=1S/C4H6ClP/c5-3-1-2-4(3)6/h1,4H,2,6H2InChIKey=DIFDYACJRGERAD-UHFFFAOYSA-N127.7Ex 127.73(BP est) -44.21(MP est) ----(BP exp) ----(MP exp) ClC1=CCC1P -44.2PredN
ClCCPC#C5965120.516C4H6ClP(2-chloroethyl)(ethynyl)phosphaneN126ClCCPC#CInChI=1S/C4H6ClP/c1-2-6-4-3-5/h1,6H,3-4H2InChIKey=HQSASYUJHJSPLB-UHFFFAOYSA-N136.0Ex 136.01(BP est) -40.34(MP est) ----(BP exp) ----(MP exp) ClCCPC#C -40.3PredN
C=CPC=CCl5966120.516C4H6ClP(2-chlorovinyl)(vinyl)phosphaneN126C=CPC=CClInChI=1S/C4H6ClP/c1-2-6-4-3-5/h2-4,6H,1H2InChIKey=PIGYCERYHXXMSB-UHFFFAOYSA-N105.9Ex 105.91(BP est) -76.03(MP est) ----(BP exp) ----(MP exp) C=CPC=CCl -76PredN
ClC1=CC(P)C15967120.516C4H6ClP(3-chlorocyclobut-2-en-1-yl)phosphaneN126ClC1=CC(P)C1InChI=1S/C4H6ClP/c5-3-1-4(6)2-3/h1,4H,2,6H2InChIKey=HNDGPFGBRXPJRS-UHFFFAOYSA-N127.7Ex 127.73(BP est) -44.21(MP est) ----(BP exp) ----(MP exp) ClC1=CC(P)C1 -44.2PredN
CPCC#CCl5968120.516C4H6ClP(3-chloroprop-2-yn-1-yl)(methyl)phosphaneN126CPCC#CClInChI=1S/C4H6ClP/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=KNGVEOXKPSVTIC-UHFFFAOYSA-N117.5Ex 117.49(BP est) -16.18(MP est) ----(BP exp) ----(MP exp) CPCC#CCl -16.2PredN
ClC#CCCP5969120.516C4H6ClP(4-chlorobut-3-yn-1-yl)phosphaneN126ClC#CCCPInChI=1S/C4H6ClP/c5-3-1-2-4-6/h2,4,6H2InChIKey=KUUMTLHLXJMEDN-UHFFFAOYSA-N137.2Ex 137.22(BP est) -2.23(MP est) ----(BP exp) ----(MP exp) ClC#CCCP -2.2PredN
CC(P)C#CCl5970120.516C4H6ClP(4-chlorobut-3-yn-2-yl)phosphaneN126CC(P)C#CClInChI=1S/C4H6ClP/c1-4(6)2-3-5/h4H,6H2,1H3InChIKey=HYWAYPQBJOWTAI-UHFFFAOYSA-N123.5Ex 123.45(BP est) -13.76(MP est) ----(BP exp) ----(MP exp) CC(P)C#CCl -13.8PredN
ClC1C(P)C=C15971120.516C4H6ClP(4-chlorocyclobut-2-en-1-yl)phosphaneN126ClC1C(P)C=C1InChI=1S/C4H6ClP/c5-3-1-2-4(3)6/h1-4H,6H2InChIKey=NFLWHQXAIMUUMM-UHFFFAOYSA-N137.5Ex 137.49(BP est) -49.73(MP est) ----(BP exp) ----(MP exp) ClC1C(P)C=C1 -49.7PredN
CCPC#CCl5972120.516C4H6ClP(chloroethynyl)(ethyl)phosphaneN126CCPC#CClInChI=1S/C4H6ClP/c1-2-6-4-3-5/h6H,2H2,1H3InChIKey=CMGYTLLHRTXLFW-UHFFFAOYSA-N117.5Ex 117.49(BP est) -16.18(MP est) ----(BP exp) ----(MP exp) CCPC#CCl -16.2PredN
CP(C)C#CCl5973120.516C4H6ClP(chloroethynyl)dimethylphosphaneN126CP(C)C#CClInChI=1S/C4H6ClP/c1-6(2)4-3-5/h1-2H3InChIKey=DDBUSHMQTBJEEY-UHFFFAOYSA-N118.4Ex 118.42(BP est) -16.59(MP est) ----(BP exp) ----(MP exp) CP(C)C#CCl -16.6PredN
CP(CCl)C#C5974120.516C4H6ClP(chloromethyl)(ethynyl)(methyl)phosphaneN126CP(CCl)C#CInChI=1S/C4H6ClP/c1-3-6(2)4-5/h1H,4H2,2H3InChIKey=LTJXASVFGCDSHH-UHFFFAOYSA-N136.9Ex 136.92(BP est) -40.76(MP est) ----(BP exp) ----(MP exp) CP(CCl)C#C -40.8PredN
ClCPCC#C5975120.516C4H6ClP(chloromethyl)(prop-2-yn-1-yl)phosphaneN126ClCPCC#CInChI=1S/C4H6ClP/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=GVHUFFPPOUTKEE-UHFFFAOYSA-N136.0Ex 136.01(BP est) -40.34(MP est) ----(BP exp) ----(MP exp) ClCPCC#C -40.3PredN
ClC(P1CC1)=C5976120.516C4H6ClP1-(1-chlorovinyl)phosphiraneN126ClC(P1CC1)=CInChI=1S/C4H6ClP/c1-4(5)6-2-3-6/h1-3H2InChIKey=VVDZWHFWWKILNO-UHFFFAOYSA-N101.8Ex 101.79(BP est) -69.51(MP est) ----(BP exp) ----(MP exp) ClC(P1CC1)=C -69.5PredN
ClC=CP1CC15977120.516C4H6ClP1-(2-chlorovinyl)phosphiraneN126ClC=CP1CC1InChI=1S/C4H6ClP/c5-1-2-6-3-4-6/h1-2H,3-4H2InChIKey=WDACYOGTKZQROW-UHFFFAOYSA-N117.3Ex 117.30(BP est) -59.66(MP est) ----(BP exp) ----(MP exp) ClC=CP1CC1 -59.7PredN
ClCP1C=CC15978120.516C4H6ClP1-(chloromethyl)-1,2-dihydrophospheteN126ClCP1C=CC1InChI=1S/C4H6ClP/c5-4-6-2-1-3-6/h1-2H,3-4H2InChIKey=HIOKSRYOEBXVGD-UHFFFAOYSA-N142.3Ex 142.32(BP est) -51.20(MP est) ----(BP exp) ----(MP exp) ClCP1C=CC1 -51.2PredN
CP1C=CC1Cl5979120.516C4H6ClP2-chloro-1-methyl-1,2-dihydrophospheteN126CP1C=CC1ClInChI=1S/C4H6ClP/c1-6-3-2-4(6)5/h2-4H,1H3InChIKey=MHVXHTLIFSMKPK-UHFFFAOYSA-N123.3Ex 123.30(BP est) -58.87(MP est) ----(BP exp) ----(MP exp) CP1C=CC1Cl -58.9PredN
ClC1CP1C=C5980120.516C4H6ClP2-chloro-1-vinylphosphiraneN126ClC1CP1C=CInChI=1S/C4H6ClP/c1-2-6-3-4(6)5/h2,4H,1,3H2InChIKey=HHEVMMKYPJMWSN-UHFFFAOYSA-N116.4Ex 116.38(BP est) -60.39(MP est) ----(BP exp) ----(MP exp) ClC1CP1C=C -60.4PredN
ClC1CC=CP15981120.516C4H6ClP2-chloro-2,3-dihydro-1H-phospholeN126ClC1CC=CP1InChI=1S/C4H6ClP/c5-4-2-1-3-6-4/h1,3-4,6H,2H2InChIKey=TVJCXZPJJSMGTE-UHFFFAOYSA-N124.5Ex 124.50(BP est) -59.59(MP est) ----(BP exp) ----(MP exp) ClC1CC=CP1 -59.6PredN
CP1C=C(Cl)C15982120.516C4H6ClP3-chloro-1-methyl-1,2-dihydrophospheteN126CP1C=C(Cl)C1InChI=1S/C4H6ClP/c1-6-2-4(5)3-6/h2H,3H2,1H3InChIKey=UEVYZXLOKSCWFY-UHFFFAOYSA-N113.3Ex 113.30(BP est) -53.41(MP est) ----(BP exp) ----(MP exp) CP1C=C(Cl)C1 -53.4PredN
ClC1C=CPC15983120.516C4H6ClP3-chloro-2,3-dihydro-1H-phospholeN126ClC1C=CPC1InChI=1S/C4H6ClP/c5-4-1-2-6-3-4/h1-2,4,6H,3H2InChIKey=QQPIHHDGQFSNNJ-UHFFFAOYSA-N124.5Ex 124.50(BP est) -59.59(MP est) ----(BP exp) ----(MP exp) ClC1C=CPC1 -59.6PredN
CP1C(Cl)=CC15984120.516C4H6ClP4-chloro-1-methyl-1,2-dihydrophospheteN126CP1C(Cl)=CC1InChI=1S/C4H6ClP/c1-6-3-2-4(6)5/h2H,3H2,1H3InChIKey=LXXYBANJVGADOA-UHFFFAOYSA-N113.3Ex 113.30(BP est) -53.41(MP est) ----(BP exp) ----(MP exp) CP1C(Cl)=CC1 -53.4PredN
ClC1=CPCC15985120.516C4H6ClP4-chloro-2,3-dihydro-1H-phospholeN126ClC1=CPCC1InChI=1S/C4H6ClP/c5-4-1-2-6-3-4/h3,6H,1-2H2InChIKey=LEOCGPSYBWZQJT-UHFFFAOYSA-N114.5Ex 114.51(BP est) -54.13(MP est) ----(BP exp) ----(MP exp) ClC1=CPCC1 -54.1PredN
ClC1=CCCP15986120.516C4H6ClP5-chloro-2,3-dihydro-1H-phospholeN126ClC1=CCCP1InChI=1S/C4H6ClP/c5-4-2-1-3-6-4/h2,6H,1,3H2InChIKey=NPZQRZLXIHVXMS-UHFFFAOYSA-N114.5Ex 114.51(BP est) -54.13(MP est) ----(BP exp) ----(MP exp) ClC1=CCCP1 -54.1PredN
CSC(C#C)Cl5987120.594C4H5ClS(1-chloroprop-2-yn-1-yl)(methyl)sulfaneN116CSC(C#C)ClInChI=1S/C4H5ClS/c1-3-4(5)6-2/h1,4H,2H3InChIKey=WTPCJLWXSBUEQH-UHFFFAOYSA-N137.0Ex 137.00(BP est) -37.85(MP est) ----(BP exp) ----(MP exp) CSC(C#C)Cl -37.9PredN
C=CSC(Cl)=C5988120.594C4H5ClS(1-chlorovinyl)(vinyl)sulfaneN116C=CSC(Cl)=CInChI=1S/C4H5ClS/c1-3-6-4(2)5/h3H,1-2H2InChIKey=DBFUYSVCLBAEIV-UHFFFAOYSA-N118.6Ex 118.56(BP est) -67.96(MP est) ----(BP exp) ----(MP exp) C=CSC(Cl)=C -68PredN
C=CSC=CCl5989120.594C4H5ClS(2-chlorovinyl)(vinyl)sulfaneN116C=CSC=CClInChI=1S/C4H5ClS/c1-2-6-4-3-5/h2-4H,1H2InChIKey=TXJYIPYHDAQONO-UHFFFAOYSA-N123.5Ex 133.65(BP est) -58.23(MP est) ----(BP exp) ----(MP exp) C=CSC=CCl -58.2PredN
C(Cl)C#CSC5990120.594C4H5ClS(3-chloroprop-1-yn-1-yl)(methyl)sulfaneN116C(Cl)C#CSCInChI=1S/C4H5ClS/c1-6-4-2-3-5/h3H2,1H3InChIKey=MSRVYHHGKLJALV-UHFFFAOYSA-N170.3Ex 170.33(BP est) 8.95(MP est) ----(BP exp) ----(MP exp) C(Cl)C#CSC 9PredN
CSCC#CCl5991120.594C4H5ClS(3-chloroprop-2-yn-1-yl)(methyl)sulfaneN116CSCC#CClInChI=1S/C4H5ClS/c1-6-4-2-3-5/h4H2,1H3InChIKey=SZQACGVNPWTMJT-UHFFFAOYSA-N144.7Ex 144.70(BP est) 1.46(MP est) ----(BP exp) ----(MP exp) CSCC#CCl 1.5PredN
CC#CSC(Cl)5992120.594C4H5ClS(chloromethyl)(prop-1-yn-1-yl)sulfaneN116CC#CSC(Cl)InChI=1S/C4H5ClS/c1-2-3-6-4-5/h4H2,1H3InChIKey=PTDMHPPAQQQTRH-UHFFFAOYSA-N170.3Ex 170.33(BP est) 8.95(MP est) ----(BP exp) ----(MP exp) CC#CSC(Cl) 9PredN
C(Cl)SC(C#C)5993120.594C4H5ClS(chloromethyl)(prop-2-yn-1-yl)sulfaneN116C(Cl)SC(C#C)InChI=1S/C4H5ClS/c1-2-3-6-4-5/h1H,3-4H2InChIKey=RYVMVEQVXVOHLG-UHFFFAOYSA-N162.4Ex 162.35(BP est) -22.95(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(C#C) -23PredN
ClC12C(S2)CC15994120.594C4H5ClS1-chloro-5-thiabicyclo[2.1.0]pentaneN116ClC12C(S2)CC1InChI=1S/C4H5ClS/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=ANTNNHJAWAPQAF-UHFFFAOYSA-N121.4Ex 121.42(BP est) -5.21(MP est) ----(BP exp) ----(MP exp) ClC12C(S2)CC1 -5.2PredN
SC(CC#C)Cl5995120.594C4H5ClS1-chlorobut-3-yne-1-thiolN116SC(CC#C)ClInChI=1S/C4H5ClS/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=IKYQZYNFLXNSGW-UHFFFAOYSA-N150.4Ex 150.39(BP est) -32.91(MP est) ----(BP exp) ----(MP exp) SC(CC#C)Cl -32.9PredN
SC(CCl)(C#C)5996120.594C4H5ClS1-chlorobut-3-yne-2-thiolN116SC(CCl)(C#C)InChI=1S/C4H5ClS/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=AJFRKDOEZNEDKK-UHFFFAOYSA-N162.3Ex 162.29(BP est) -29.44(MP est) ----(BP exp) ----(MP exp) SC(CCl)(C#C) -29.4PredN
SC1(CC=C1)Cl5997120.594C4H5ClS1-chlorocyclobut-2-ene-1-thiolN116SC1(CC=C1)ClInChI=1S/C4H5ClS/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=LVLRVXTUSDRMMA-UHFFFAOYSA-N140.9Ex 140.90(BP est) -32.13(MP est) ----(BP exp) ----(MP exp) SC1(CC=C1)Cl -32.1PredN
ClC(C)C1=CS15998120.594C4H5ClS2-(1-chloroethyl)thiireneN116ClC(C)C1=CS1InChI=1S/C4H5ClS/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=CIPUZZZIRZXCNG-UHFFFAOYSA-N138.0Ex 138.03(BP est) -21.78(MP est) ----(BP exp) ----(MP exp) ClC(C)C1=CS1 -21.8PredN
ClC(C1CS1)=C5999120.594C4H5ClS2-(1-chlorovinyl)thiiraneN116ClC(C1CS1)=CInChI=1S/C4H5ClS/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=YISWDRZSZFBFFB-UHFFFAOYSA-N121.7Ex 121.72(BP est) -35.66(MP est) ----(BP exp) ----(MP exp) ClC(C1CS1)=C -35.7PredN
ClCCC1=CS16000120.594C4H5ClS2-(2-chloroethyl)thiireneN116ClCCC1=CS1InChI=1S/C4H5ClS/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=NTGNESIGPQFGPH-UHFFFAOYSA-N163.3Ex 163.33(BP est) -6.89(MP est) ----(BP exp) ----(MP exp) ClCCC1=CS1 -6.9PredN
ClC=CC1CS16001120.594C4H5ClS2-(2-chlorovinyl)thiiraneN116ClC=CC1CS1InChI=1S/C4H5ClS/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=QDZQWHGQLKTMAH-UHFFFAOYSA-N136.7Ex 136.73(BP est) -25.96(MP est) ----(BP exp) ----(MP exp) ClC=CC1CS1 -26PredN
CC(S1)=C1CCl6002120.594C4H5ClS2-(chloromethyl)-3-methylthiireneN116CC(S1)=C1CClInChI=1S/C4H5ClS/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=YJPMVQCERYZXFI-UHFFFAOYSA-N161.5Ex 161.48(BP est) -1.17(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1CCl -1.2PredN
ClC1C2(CC2)S16003120.594C4H5ClS2-chloro-1-thiaspiro[2.2]pentaneN116ClC1C2(CC2)S1InChI=1S/C4H5ClS/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=NSJLXIGCXFFPCX-UHFFFAOYSA-N133.9Ex 133.91(BP est) -1.56(MP est) ----(BP exp) ----(MP exp) ClC1C2(CC2)S1 -1.6PredN
ClC1(C=C)CS16004120.594C4H5ClS2-chloro-2-vinylthiiraneN116ClC1(C=C)CS1InChI=1S/C4H5ClS/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=PHGSOLJUZXTCRX-UHFFFAOYSA-N117.9Ex 117.85(BP est) -17.86(MP est) ----(BP exp) ----(MP exp) ClC1(C=C)CS1 -17.9PredN
ClC(S1)=C1CC6005120.594C4H5ClS2-chloro-3-ethylthiireneN116ClC(S1)=C1CCInChI=1S/C4H5ClS/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=VDKNKLSMLYWAAX-UHFFFAOYSA-N135.4Ex 135.40(BP est) -8.78(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1CC -8.8PredN
ClC1C(C=C)S16006120.594C4H5ClS2-chloro-3-vinylthiiraneN116ClC1C(C=C)S1InChI=1S/C4H5ClS/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=VDFNAIQRHUYWOX-UHFFFAOYSA-N135.8Ex 135.83(BP est) -26.68(MP est) ----(BP exp) ----(MP exp) ClC1C(C=C)S1 -26.7PredN
ClC1CC2C1S26007120.594C4H5ClS2-chloro-5-thiabicyclo[2.1.0]pentaneN116ClC1CC2C1S2InChI=1S/C4H5ClS/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=AQDOJUQUKRTMGJ-UHFFFAOYSA-N139.3Ex 139.29(BP est) -14.06(MP est) ----(BP exp) ----(MP exp) ClC1CC2C1S2 -14.1PredN
SCC(C#C)Cl6008120.594C4H5ClS2-chlorobut-3-yne-1-thiolN116SCC(C#C)ClInChI=1S/C4H5ClS/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=KEAWAPWXFPCYLB-UHFFFAOYSA-N150.4Ex 150.39(BP est) -32.91(MP est) ----(BP exp) ----(MP exp) SCC(C#C)Cl -32.9PredN
SC(C)(C#C)Cl6009120.594C4H5ClS2-chlorobut-3-yne-2-thiolN116SC(C)(C#C)ClInChI=1S/C4H5ClS/c1-3-4(2,5)6/h1,6H,2H3InChIKey=JPIQLRBEWXAJBA-UHFFFAOYSA-N129.3Ex 129.25(BP est) -30.37(MP est) ----(BP exp) ----(MP exp) SC(C)(C#C)Cl -30.4PredN
SC1CC=C1Cl6010120.594C4H5ClS2-chlorocyclobut-2-ene-1-thiolN116SC1CC=C1ClInChI=1S/C4H5ClS/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=SIZUXFMYLCHEDF-UHFFFAOYSA-N148.8Ex 148.76(BP est) -35.52(MP est) ----(BP exp) ----(MP exp) SC1CC=C1Cl -35.5PredN
SC1CC(Cl)=C16011120.594C4H5ClS3-chlorocyclobut-2-ene-1-thiolN116SC1CC(Cl)=C1InChI=1S/C4H5ClS/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=KURWDOBXTCHXIX-UHFFFAOYSA-N148.8Ex 148.76(BP est) -35.52(MP est) ----(BP exp) ----(MP exp) SC1CC(Cl)=C1 -35.5PredN
ClC1C2(C1)CS26012120.594C4H5ClS4-chloro-1-thiaspiro[2.2]pentaneN116ClC1C2(C1)CS2InChI=1S/C4H5ClS/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=LDCBUVXRTFWANV-UHFFFAOYSA-N133.9Ex 133.91(BP est) -1.56(MP est) ----(BP exp) ----(MP exp) ClC1C2(C1)CS2 -1.6PredN
SCCC#CCl6013120.594C4H5ClS4-chlorobut-3-yne-1-thiolN116SCCC#CClInChI=1S/C4H5ClS/c5-3-1-2-4-6/h6H,2,4H2InChIKey=HALIFTCDAJSLFJ-UHFFFAOYSA-N157.9Ex 157.90(BP est) 6.35(MP est) ----(BP exp) ----(MP exp) SCCC#CCl 6.4PredN
SC(C#CCl)C6014120.594C4H5ClS4-chlorobut-3-yne-2-thiolN116SC(C#CCl)CInChI=1S/C4H5ClS/c1-4(6)2-3-5/h4,6H,1H3InChIKey=DXIDOHDZJGKJKD-UHFFFAOYSA-N144.6Ex 144.63(BP est) -5.03(MP est) ----(BP exp) ----(MP exp) SC(C#CCl)C -5PredN
SC1C(Cl)C=C16015120.594C4H5ClS4-chlorocyclobut-2-ene-1-thiolN116SC1C(Cl)C=C1InChI=1S/C4H5ClS/c5-3-1-2-4(3)6/h1-4,6HInChIKey=SXRIHCNGBVAZOW-UHFFFAOYSA-N158.2Ex 158.16(BP est) -41.16(MP est) ----(BP exp) ----(MP exp) SC1C(Cl)C=C1 -41.2PredN
C[Si]1(CC1)CCl6016120.651C4H9ClSi1-(chloromethyl)-1-methylsiliraneN156C[Si]1(CC1)CClInChI=1S/C4H9ClSi/c1-6(4-5)2-3-6/h2-4H2,1H3InChIKey=KKNDSRRYJUHQDE-UHFFFAOYSA-N82.5Ex 82.49(BP est) -29.67(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1)CCl -29.7PredN
C[Si]1(CC1Cl)C6017120.651C4H9ClSi2-chloro-1,1-dimethylsiliraneN156C[Si]1(CC1Cl)CInChI=1S/C4H9ClSi/c1-6(2)3-4(6)5/h4H,3H2,1-2H3InChIKey=SCLJXESAXXXQLI-UHFFFAOYSA-N61.6Ex 61.55(BP est) -37.91(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1Cl)C -37.9PredN
C(Cl)(Cl)(F)(F)6023120.908CCl2F2dichlorodifluoromethaneN55C(Cl)(Cl)(F)(F)InChI=1S/CCl2F2/c2-1(3,4)5InChIKey=PXBRQCKWGAHEHS-UHFFFAOYSA-N-29.9Ex 2.55(BP est) -110.43(MP est) -29.80(BP exp) -158.00(MP exp) C(Cl)(Cl)(F)(F) -158ExptN
BrC1=CO16024120.933C2HBrO2-bromooxireneN54BrC1=CO1InChI=1S/C2HBrO/c3-2-1-4-2/h1HInChIKey=MIIXISNJQHKXDA-UHFFFAOYSA-N96.6Ex 96.58(BP est) -48.15(MP est) ----(BP exp) ----(MP exp) BrC1=CO1 -48.2PredN
ClC(Cl)=CC#C6025120.96C4H2Cl21,1-dichlorobut-1-en-3-yneN86ClC(Cl)=CC#CInChI=1S/C4H2Cl2/c1-2-3-4(5)6/h1,3HInChIKey=FTSDSTFMFYNJGI-UHFFFAOYSA-N105.4Ex 105.40(BP est) -51.33(MP est) ----(BP exp) ----(MP exp) ClC(Cl)=CC#C -51.3PredN
ClC=C(C#C)Cl6026120.96C4H2Cl21,2-dichlorobut-1-en-3-yneN86ClC=C(C#C)ClInChI=1S/C4H2Cl2/c1-2-4(6)3-5/h1,3HInChIKey=OMOOPCBKYFCRHM-UHFFFAOYSA-N105.4Ex 105.40(BP est) -51.33(MP est) ----(BP exp) ----(MP exp) ClC=C(C#C)Cl -51.3PredN
ClC=CC#CCl6027120.96C4H2Cl21,4-dichlorobut-1-en-3-yneN86ClC=CC#CClInChI=1S/C4H2Cl2/c5-3-1-2-4-6/h1,3HInChIKey=ZKYLEEHOGNWPCP-UHFFFAOYSA-N120.6Ex 120.60(BP est) -10.35(MP est) ----(BP exp) ----(MP exp) ClC=CC#CCl -10.4PredN
C=C(C#CCl)Cl6028120.96C4H2Cl22,4-dichlorobut-1-en-3-yneN86C=C(C#CCl)ClInChI=1S/C4H2Cl2/c1-4(6)2-3-5/h1H2InChIKey=XNBSLOIAKNPIPP-UHFFFAOYSA-N105.2Ex 105.17(BP est) -20.18(MP est) ----(BP exp) ----(MP exp) C=C(C#CCl)Cl -20.2PredN
CC=CBr6029120.977C3H5Br1-bromoprop-1-eneN94CC=CBrInChI=1S/C3H5Br/c1-2-3-4/h2-3H,1H3InChIKey=NNQDMQVWOWCVEM-UHFFFAOYSA-N61.7Ex 85.19(BP est) -79.40(MP est) ----(BP exp) ----(MP exp) CC=CBr -79.4PredN
CC(Br)=C6030120.977C3H5Br2-bromoprop-1-eneN94CC(Br)=CInChI=1S/C3H5Br/c1-3(2)4/h1H2,2H3InChIKey=PHMRPWPDDRGGGF-UHFFFAOYSA-N51.8Ex 68.88(BP est) -89.48(MP est) 48.40(BP exp) -126.00(MP exp) CC(Br)=C -126ExptN
BrCC=C6031120.977C3H5Br3-bromoprop-1-eneN94BrCC=CInChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2InChIKey=BHELZAPQIKSEDF-UHFFFAOYSA-N70.4Ex 75.71(BP est) -80.50(MP est) 70.10(BP exp) -119.00(MP exp) BrCC=C -119ExptN
BrC1CC16032120.977C3H5BrbromocyclopropaneN94BrC1CC1InChI=1S/C3H5Br/c4-3-1-2-3/h3H,1-2H2InChIKey=LKXYJYDRLBPHRS-UHFFFAOYSA-N69.0Ex 81.79(BP est) -68.88(MP est) ----(BP exp) ----(MP exp) BrC1CC1 -68.9PredN
CCNC(P)=S6036121.138C3H8NPSN-ethylphosphanecarbothioamideN146CCNC(P)=SInChI=1S/C3H8NPS/c1-2-4-3(5)6/h2,5H2,1H3,(H,4,6)InChIKey=KSGFVHJUGHYBFV-UHFFFAOYSA-N181.2Ex 181.21(BP est) 2.66(MP est) ----(BP exp) ----(MP exp) CCNC(P)=S 2.7PredN
NC1CSSC16037121.216C3H7NS21,2-dithiolan-4-amineN136NC1CSSC1InChI=1S/C3H7NS2/c4-3-1-5-6-2-3/h3H,1-2,4H2InChIKey=BXMQAFYZFUUYMM-UHFFFAOYSA-N196.2Ex 196.16(BP est) 25.52(MP est) ----(BP exp) ----(MP exp) NC1CSSC1 25.5PredN
C1NCSCS16038121.216C3H7NS21,3,5-dithiazinaneN136C1NCSCS1InChI=1S/C3H7NS2/c1-4-2-6-3-5-1/h4H,1-3H2InChIKey=MXVVJAPMTOADGU-UHFFFAOYSA-N203.0Ex 202.99(BP est) 34.14(MP est) ----(BP exp) ----(MP exp) C1NCSCS1 34.1PredN
SC(N(C)C)=S6039121.216C3H7NS2dimethylcarbamodithioic acidN136SC(N(C)C)=SInChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)InChIKey=MZGNSEAPZQGJRB-UHFFFAOYSA-N182.0Ex 181.95(BP est) -4.68(MP est) ----(BP exp) ----(MP exp) SC(N(C)C)=S -4.7PredN
BrC1CN16040121.965C2H4BrN2-bromoaziridineN84BrC1CN1InChI=1S/C2H4BrN/c3-2-1-4-2/h2,4H,1H2InChIKey=SYXIOJUTNPSUMJ-UHFFFAOYSA-N120.5Ex 120.45(BP est) -10.71(MP est) ----(BP exp) ----(MP exp) BrC1CN1 -10.7PredN
O=C(S)C(=O)S6049122.156C2H2O2S2ethanebis(thioic) S,S-acidN86O=C(S)C(=O)SInChI=1S/C2H2O2S2/c3-1(5)2(4)6/h(H,3,5)(H,4,6)InChIKey=FSXWCUSOFGPQKK-UHFFFAOYSA-N221.9Ex 221.88(BP est) 13.91(MP est) ----(BP exp) ----(MP exp) O=C(S)C(=O)S 13.9PredN
SCCP(C)C6050122.166C4H11PS2-(dimethylphosphaneyl)ethane-1-thiolN176SCCP(C)CInChI=1S/C4H11PS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3InChIKey=FVZSUQSDILOCEY-UHFFFAOYSA-N146.7Ex 146.70(BP est) -58.12(MP est) ----(BP exp) ----(MP exp) SCCP(C)C -58.1PredN
CCP(=S)CC6051122.166C4H11PSdiethylphosphine sulfideN176CCP(=S)CCInChI=1S/C4H11PS/c1-3-5(6)4-2/h5H,3-4H2,1-2H3InChIKey=GQMIGIPYQLWEAU-UHFFFAOYSA-N122.9Ex 122.86(BP est) -125.12(MP est) ----(BP exp) ----(MP exp) CCP(=S)CC -125.1PredN
S=P(C)(C)CC6052122.166C4H11PSethyldimethylphosphine sulfideN176S=P(C)(C)CCInChI=1S/C4H11PS/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=XCXWPFQLGAAMFO-UHFFFAOYSA-N120.7Ex 120.72(BP est) -133.93(MP est) ----(BP exp) ----(MP exp) S=P(C)(C)CC -133.9PredN
OC1CSSC16053122.2C3H6OS21,2-dithiolan-4-olN126OC1CSSC1InChI=1S/C3H6OS2/c4-3-1-5-6-2-3/h3-4H,1-2H2InChIKey=NDIXRKIWFJYELO-UHFFFAOYSA-N211.4Ex 211.36(BP est) 32.18(MP est) ----(BP exp) ----(MP exp) OC1CSSC1 32.2PredY(DNP 2017)
S=C(SC)OC6054122.2C3H6OS2O,S-dimethyl carbonodithioateN126S=C(SC)OCInChI=1S/C3H6OS2/c1-4-3(5)6-2/h1-2H3InChIKey=LABVNFAVENLDHB-UHFFFAOYSA-N168.0Ex 170.78(BP est) -14.09(MP est) ----(BP exp) ----(MP exp) S=C(SC)OC -14.1PredY(DNP 2017)
CSC(SC)=O6055122.2C3H6OS2S,S-dimethyl carbonodithioateN126CSC(SC)=OInChI=1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3InChIKey=IUXMJLLWUTWQFX-UHFFFAOYSA-N179.1Ex 179.10(BP est) -19.97(MP est) ----(BP exp) ----(MP exp) CSC(SC)=O -20PredY(Thiel et al. 2010)
CSC(NN)=S6056122.204C2H6N2S2methyl hydrazinecarbodithioateN126CSC(NN)=SInChI=1S/C2H6N2S2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)InChIKey=ILAXBOIRSPXAMM-UHFFFAOYSA-N220.6Ex 220.61(BP est) 39.50(MP est) ----(BP exp) ----(MP exp) CSC(NN)=S 39.5PredN
C1=CSSS16057122.218C2H2S31,2,3-trithioleN75C1=CSSS1InChI=1S/C2H2S3/c1-2-4-5-3-1/h1-2HInChIKey=QZQIWEZRSIPYCU-UHFFFAOYSA-N186.6Ex 186.56(BP est) 18.30(MP est) ----(BP exp) ----(MP exp) C1=CSSS1 18.3PredN
S=C1SCS16058122.218C2H2S31,3-dithietane-2-thioneN75S=C1SCS1InChI=1S/C2H2S3/c3-2-4-1-5-2/h1H2InChIKey=AOILGVJZQNPLBX-UHFFFAOYSA-N249.8Ex 249.84(BP est) 53.13(MP est) ----(BP exp) ----(MP exp) S=C1SCS1 53.1PredN
CSCCSC6059122.244C4H10S21,2-bis(methylthio)ethaneN166CSCCSCInChI=1S/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3InChIKey=UJTDKNZVLGVLFT-UHFFFAOYSA-N182.0Ex 158.83(BP est) -45.22(MP est) 183.00(BP exp) ----(MP exp) CSCCSC -45.2PredY(Burdock and Fenaroli 2010)
C(C)SSC(C)6060122.244C4H10S21,2-diethyldisulfaneN166C(C)SSC(C)InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3InChIKey=CETBSQOFQKLHHZ-UHFFFAOYSA-N153.8Ex 158.83(BP est) -45.22(MP est) 154.10(BP exp) -101.50(MP exp) C(C)SSC(C) -101.5ExptY(Bailey et al. 1961, Bailey et al. 1961, DNP 2017)
CSSC(C)(C)6061122.244C4H10S21-isopropyl-2-methyldisulfaneN166CSSC(C)(C)InChI=1S/C4H10S2/c1-4(2)6-5-3/h4H,1-3H3InChIKey=MRCFHOIQEFOJEC-UHFFFAOYSA-N145.6Ex 145.58(BP est) -56.59(MP est) ----(BP exp) ----(MP exp) CSSC(C)(C) -56.6PredN
CSSC(CC)6062122.244C4H10S21-methyl-2-propyldisulfaneN166CSSC(CC)InChI=1S/C4H10S2/c1-3-4-6-5-2/h3-4H2,1-2H3InChIKey=PUCHCUYBORIUSM-UHFFFAOYSA-N177.2Ex 158.83(BP est) -45.22(MP est) ----(BP exp) ----(MP exp) CSSC(CC) -45.2PredY(Irwin et al. 2012, DNP 2017)
SCCSCC6063122.244C4H10S22-(ethylthio)ethane-1-thiolN166SCCSCCInChI=1S/C4H10S2/c1-2-6-4-3-5/h5H,2-4H2,1H3InChIKey=IYQVQZXLTJHEKZ-UHFFFAOYSA-N171.7Ex 171.68(BP est) -40.44(MP est) ----(BP exp) ----(MP exp) SCCSCC -40.4PredN
CC(S)(C)CS6064122.244C4H10S22-methylpropane-1,2-dithiolN166CC(S)(C)CSInChI=1S/C4H10S2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3InChIKey=RSJZKUQJWIKWDY-UHFFFAOYSA-N163.2Ex 163.16(BP est) -40.69(MP est) ----(BP exp) ----(MP exp) CC(S)(C)CS -40.7PredY(DNP 2017)
SCCCSC6065122.244C4H10S23-(methylthio)propane-1-thiolN166SCCCSCInChI=1S/C4H10S2/c1-6-4-2-3-5/h5H,2-4H2,1H3InChIKey=GLSINCGJNDJREL-UHFFFAOYSA-N171.7Ex 171.68(BP est) -40.44(MP est) ----(BP exp) ----(MP exp) SCCCSC -40.4PredN
SC(CC)CS6066122.244C4H10S2butane-1,2-dithiolN166SC(CC)CSInChI=1S/C4H10S2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3InChIKey=LFTMJBWNOFFSRW-UHFFFAOYSA-N171.6Ex 171.62(BP est) -46.93(MP est) ----(BP exp) ----(MP exp) SC(CC)CS -46.9PredY(The Good Scents Company)
SCCCCS6067122.244C4H10S2butane-1,4-dithiolN166SCCCCSInChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2InChIKey=SMTOKHQOVJRXLK-UHFFFAOYSA-N195.5Ex 184.21(BP est) -35.75(MP est) 195.50(BP exp) -53.90(MP exp) SCCCCS -53.9ExptY(The Good Scents Company)
SC(C)C(C)S6068122.244C4H10S2butane-2,3-dithiolN166SC(C)C(C)SInChI=1S/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3InChIKey=TWWSEEHCVDRRRI-UHFFFAOYSA-N158.7Ex 158.70(BP est) -58.20(MP est) ----(BP exp) ----(MP exp) SC(C)C(C)S -58.2PredY(Moharram et al. 2012)
CSC(SC)C6069122.244C4H10S2ethane-1,1-diylbis(methylsulfane)N166CSC(SC)CInChI=1S/C4H10S2/c1-4(5-2)6-3/h4H,1-3H3InChIKey=MEZARKNHCDZUJN-UHFFFAOYSA-N145.6Ex 145.58(BP est) -56.59(MP est) ----(BP exp) ----(MP exp) CSC(SC)C -56.6PredN
CSCSCC6070122.244C4H10S2ethyl((methylthio)methyl)sulfaneN166CSCSCCInChI=1S/C4H10S2/c1-3-6-4-5-2/h3-4H2,1-2H3InChIKey=MZEQTJYSLGYJBH-UHFFFAOYSA-N158.8Ex 158.83(BP est) -45.22(MP est) ----(BP exp) ----(MP exp) CSCSCC -45.2PredN
O=PC(Cl)C=C6071122.488C3H4ClOP(1-chloroallyl)(oxo)phosphaneN106O=PC(Cl)C=CInChI=1S/C3H4ClOP/c1-2-3(4)6-5/h2-3H,1H2InChIKey=KPRYLXLNRPHYMS-UHFFFAOYSA-N142.1Ex 142.13(BP est) -50.37(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)C=C -50.4PredN
ClC(PO)C#C6072122.488C3H4ClOP(1-chloroprop-2-yn-1-yl)(hydroxy)phosphaneN106ClC(PO)C#CInChI=1S/C3H4ClOP/c1-2-3(4)6-5/h1,3,5-6HInChIKey=HCILGSMJPJJEFK-UHFFFAOYSA-N186.3Ex 186.32(BP est) -8.38(MP est) ----(BP exp) ----(MP exp) ClC(PO)C#C -8.4PredN
O=PCC(Cl)=C6073122.488C3H4ClOP(2-chloroallyl)(oxo)phosphaneN106O=PCC(Cl)=CInChI=1S/C3H4ClOP/c1-3(4)2-6-5/h1-2H2InChIKey=JAWQPYZKOAYPEK-UHFFFAOYSA-N135.3Ex 135.30(BP est) -51.84(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)=C -51.8PredN
O=PCC=CCl6074122.488C3H4ClOP(3-chloroallyl)(oxo)phosphaneN106O=PCC=CClInChI=1S/C3H4ClOP/c4-2-1-3-6-5/h1-2H,3H2InChIKey=WBBALACOQHYGLE-UHFFFAOYSA-N150.0Ex 149.96(BP est) -42.24(MP est) ----(BP exp) ----(MP exp) O=PCC=CCl -42.2PredN
ClC#CPOC6077122.488C3H4ClOP(chloroethynyl)(methoxy)phosphaneN106ClC#CPOCInChI=1S/C3H4ClOP/c1-5-6-3-2-4/h6H,1H3InChIKey=AGYZQAZNNHTBBT-UHFFFAOYSA-N118.4Ex 118.39(BP est) -10.44(MP est) ----(BP exp) ----(MP exp) ClC#CPOC -10.4PredN
O=P(C)C#CCl6078122.488C3H4ClOP(chloroethynyl)(methyl)phosphine oxideN106O=P(C)C#CClInChI=1S/C3H4ClOP/c1-6(5)3-2-4/h6H,1H3InChIKey=WJNUXAKYIDVGLT-UHFFFAOYSA-N157.1Ex 157.06(BP est) 7.24(MP est) ----(BP exp) ----(MP exp) O=P(C)C#CCl 7.2PredN
O=P(CCl)C#C6080122.488C3H4ClOP(chloromethyl)(ethynyl)phosphine oxideN106O=P(CCl)C#CInChI=1S/C3H4ClOP/c1-2-6(5)3-4/h1,6H,3H2InChIKey=MIWAEVAEUCJTDL-UHFFFAOYSA-N174.3Ex 174.30(BP est) -17.29(MP est) ----(BP exp) ----(MP exp) O=P(CCl)C#C -17.3PredN
O=P1C=CC1Cl6081122.488C3H4ClOP2-chloro-2H-phosphete 1-oxideN106O=P1C=CC1ClInChI=1S/C3H4ClOP/c4-3-1-2-6(3)5/h1-3,6HInChIKey=AZUROOIWDRMKCU-UHFFFAOYSA-N161.6Ex 161.61(BP est) -35.13(MP est) ----(BP exp) ----(MP exp) O=P1C=CC1Cl -35.1PredN
O=P1C=C(Cl)C16083122.488C3H4ClOP3-chloro-2H-phosphete 1-oxideN106O=P1C=C(Cl)C1InChI=1S/C3H4ClOP/c4-3-1-6(5)2-3/h1,6H,2H2InChIKey=LOTDSHOYUREIFQ-UHFFFAOYSA-N152.3Ex 152.27(BP est) -29.48(MP est) ----(BP exp) ----(MP exp) O=P1C=C(Cl)C1 -29.5PredN
O=P1C(Cl)=CC16085122.488C3H4ClOP4-chloro-2H-phosphete 1-oxideN106O=P1C(Cl)=CC1InChI=1S/C3H4ClOP/c4-3-1-2-6(3)5/h1,6H,2H2InChIKey=FVHLNQDRZYETBK-UHFFFAOYSA-N152.3Ex 152.27(BP est) -29.48(MP est) ----(BP exp) ----(MP exp) O=P1C(Cl)=CC1 -29.5PredN
ClC1(CP)CC16087122.532C4H8ClP((1-chlorocyclopropyl)methyl)phosphaneN146ClC1(CP)CC1InChI=1S/C4H8ClP/c5-4(3-6)1-2-4/h1-3,6H2InChIKey=WYOFLFQXOHQNHF-UHFFFAOYSA-N114.4Ex 114.35(BP est) -41.04(MP est) ----(BP exp) ----(MP exp) ClC1(CP)CC1 -41PredN
ClC1C(CP)C16088122.532C4H8ClP((2-chlorocyclopropyl)methyl)phosphaneN146ClC1C(CP)C1InChI=1S/C4H8ClP/c5-4-1-3(4)2-6/h3-4H,1-2,6H2InChIKey=NNMJSCHHLLIHOU-UHFFFAOYSA-N132.4Ex 132.44(BP est) -49.83(MP est) ----(BP exp) ----(MP exp) ClC1C(CP)C1 -49.8PredN
ClCC1(P)CC16089122.532C4H8ClP(1-(chloromethyl)cyclopropyl)phosphaneN146ClCC1(P)CC1InChI=1S/C4H8ClP/c5-3-4(6)1-2-4/h1-3,6H2InChIKey=NERZVQQEJPXOOH-UHFFFAOYSA-N139.4Ex 139.41(BP est) -33.72(MP est) ----(BP exp) ----(MP exp) ClCC1(P)CC1 -33.7PredN
CPC(C=C)Cl6090122.532C4H8ClP(1-chloroallyl)(methyl)phosphaneN146CPC(C=C)ClInChI=1S/C4H8ClP/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=SJJNXZZPPDYMIB-UHFFFAOYSA-N99.3Ex 99.26(BP est) -82.93(MP est) ----(BP exp) ----(MP exp) CPC(C=C)Cl -82.9PredN
ClC(P)CC=C6091122.532C4H8ClP(1-chlorobut-3-en-1-yl)phosphaneN146ClC(P)CC=CInChI=1S/C4H8ClP/c1-2-3-4(5)6/h2,4H,1,3,6H2InChIKey=AYGWPBFWYZYSIT-UHFFFAOYSA-N119.6Ex 119.60(BP est) -68.81(MP est) ----(BP exp) ----(MP exp) ClC(P)CC=C -68.8PredN
ClCC(P)C=C6092122.532C4H8ClP(1-chlorobut-3-en-2-yl)phosphaneN146ClCC(P)C=CInChI=1S/C4H8ClP/c1-2-4(6)3-5/h2,4H,1,3,6H2InChIKey=QPCMGRVWOXPHEO-UHFFFAOYSA-N132.2Ex 132.17(BP est) -65.14(MP est) ----(BP exp) ----(MP exp) ClCC(P)C=C -65.1PredN
ClC1(P)CCC16093122.532C4H8ClP(1-chlorocyclobutyl)phosphaneN146ClC1(P)CCC1InChI=1S/C4H8ClP/c5-4(6)2-1-3-4/h1-3,6H2InChIKey=QXEZAPDPUVJQBU-UHFFFAOYSA-N116.5Ex 116.50(BP est) -42.17(MP est) ----(BP exp) ----(MP exp) ClC1(P)CCC1 -42.2PredN
CPC1(CC1)Cl6094122.532C4H8ClP(1-chlorocyclopropyl)(methyl)phosphaneN146CPC1(CC1)ClInChI=1S/C4H8ClP/c1-6-4(5)2-3-4/h6H,2-3H2,1H3InChIKey=BRSWTXXCNOIFJO-UHFFFAOYSA-N93.9Ex 93.85(BP est) -55.21(MP est) ----(BP exp) ----(MP exp) CPC1(CC1)Cl -55.2PredN
ClC(PC=C)C6095122.532C4H8ClP(1-chloroethyl)(vinyl)phosphaneN146ClC(PC=C)CInChI=1S/C4H8ClP/c1-3-6-4(2)5/h3-4,6H,1H2,2H3InChIKey=ADLUWPIXAQGESN-UHFFFAOYSA-N99.3Ex 99.26(BP est) -82.93(MP est) ----(BP exp) ----(MP exp) ClC(PC=C)C -82.9PredN
CCPC(Cl)=C6096122.532C4H8ClP(1-chlorovinyl)(ethyl)phosphaneN146CCPC(Cl)=CInChI=1S/C4H8ClP/c1-3-6-4(2)5/h6H,2-3H2,1H3InChIKey=FGMKUGNHBGBVIP-UHFFFAOYSA-N91.9Ex 91.93(BP est) -84.55(MP est) ----(BP exp) ----(MP exp) CCPC(Cl)=C -84.6PredN
CP(C)C(Cl)=C6097122.532C4H8ClP(1-chlorovinyl)dimethylphosphaneN146CP(C)C(Cl)=CInChI=1S/C4H8ClP/c1-4(5)6(2)3/h1H2,2-3H3InChIKey=DDNWQHMTCBIIIZ-UHFFFAOYSA-N92.9Ex 92.91(BP est) -84.95(MP est) ----(BP exp) ----(MP exp) CP(C)C(Cl)=C -85PredN
CC1(P)CC1Cl6098122.532C4H8ClP(2-chloro-1-methylcyclopropyl)phosphaneN146CC1(P)CC1ClInChI=1S/C4H8ClP/c1-4(6)2-3(4)5/h3H,2,6H2,1H3InChIKey=KSDATMOYWBYMOQ-UHFFFAOYSA-N120.3Ex 120.30(BP est) -41.43(MP est) ----(BP exp) ----(MP exp) CC1(P)CC1Cl -41.4PredN
CPCC(Cl)=C6099122.532C4H8ClP(2-chloroallyl)(methyl)phosphaneN146CPCC(Cl)=CInChI=1S/C4H8ClP/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=FBVJHEICZACBNP-UHFFFAOYSA-N91.9Ex 91.93(BP est) -84.55(MP est) ----(BP exp) ----(MP exp) CPCC(Cl)=C -84.6PredN
ClC(C=C)CP6100122.532C4H8ClP(2-chlorobut-3-en-1-yl)phosphaneN146ClC(C=C)CPInChI=1S/C4H8ClP/c1-2-4(5)3-6/h2,4H,1,3,6H2InChIKey=OROXAXQBSJIOCA-UHFFFAOYSA-N119.6Ex 119.60(BP est) -68.81(MP est) ----(BP exp) ----(MP exp) ClC(C=C)CP -68.8PredN
ClC(C=C)(P)C6101122.532C4H8ClP(2-chlorobut-3-en-2-yl)phosphaneN146ClC(C=C)(P)CInChI=1S/C4H8ClP/c1-3-4(2,5)6/h3H,1,6H2,2H3InChIKey=QSJLDQOVDCASHN-UHFFFAOYSA-N97.3Ex 97.30(BP est) -66.61(MP est) ----(BP exp) ----(MP exp) ClC(C=C)(P)C -66.6PredN
ClC1C(P)CC16102122.532C4H8ClP(2-chlorocyclobutyl)phosphaneN146ClC1C(P)CC1InChI=1S/C4H8ClP/c5-3-1-2-4(3)6/h3-4H,1-2,6H2InChIKey=WNUNPMFIOFGLHR-UHFFFAOYSA-N134.5Ex 134.52(BP est) -50.98(MP est) ----(BP exp) ----(MP exp) ClC1C(P)CC1 -51PredN
CPC1CC1Cl6103122.532C4H8ClP(2-chlorocyclopropyl)(methyl)phosphaneN146CPC1CC1ClInChI=1S/C4H8ClP/c1-6-4-2-3(4)5/h3-4,6H,2H2,1H3InChIKey=MKKLJEGLEAKUFW-UHFFFAOYSA-N112.5Ex 112.54(BP est) -63.83(MP est) ----(BP exp) ----(MP exp) CPC1CC1Cl -63.8PredN
ClCCPC=C6104122.532C4H8ClP(2-chloroethyl)(vinyl)phosphaneN146ClCCPC=CInChI=1S/C4H8ClP/c1-2-6-4-3-5/h2,6H,1,3-4H2InChIKey=GCHXOXUPVBPEMS-UHFFFAOYSA-N126.3Ex 126.30(BP est) -67.54(MP est) ----(BP exp) ----(MP exp) ClCCPC=C -67.5PredN
CCPC=CCl6105122.532C4H8ClP(2-chlorovinyl)(ethyl)phosphaneN146CCPC=CClInChI=1S/C4H8ClP/c1-2-6-4-3-5/h3-4,6H,2H2,1H3InChIKey=FZQYGWPTYLKATI-UHFFFAOYSA-N107.7Ex 107.69(BP est) -74.63(MP est) ----(BP exp) ----(MP exp) CCPC=CCl -74.6PredN
CP(C)C=CCl6106122.532C4H8ClP(2-chlorovinyl)dimethylphosphaneN146CP(C)C=CClInChI=1S/C4H8ClP/c1-6(2)4-3-5/h3-4H,1-2H3InChIKey=ROKHARRZZLHCTC-UHFFFAOYSA-N108.6Ex 108.64(BP est) -75.04(MP est) ----(BP exp) ----(MP exp) CP(C)C=CCl -75PredN
CPCC=CCl6107122.532C4H8ClP(3-chloroallyl)(methyl)phosphaneN146CPCC=CClInChI=1S/C4H8ClP/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=PONLRRWIHNMYKD-UHFFFAOYSA-N107.7Ex 107.69(BP est) -74.63(MP est) ----(BP exp) ----(MP exp) CPCC=CCl -74.6PredN
ClC(CCP)=C6108122.532C4H8ClP(3-chlorobut-3-en-1-yl)phosphaneN146ClC(CCP)=CInChI=1S/C4H8ClP/c1-4(5)2-3-6/h1-3,6H2InChIKey=HYVOBWNBABOFKV-UHFFFAOYSA-N112.5Ex 112.50(BP est) -70.36(MP est) ----(BP exp) ----(MP exp) ClC(CCP)=C -70.4PredN
CC(P)C(Cl)=C6109122.532C4H8ClP(3-chlorobut-3-en-2-yl)phosphaneN146CC(P)C(Cl)=CInChI=1S/C4H8ClP/c1-3(5)4(2)6/h4H,1,6H2,2H3InChIKey=PCDMIQWLNUBOLP-UHFFFAOYSA-N98.1Ex 98.14(BP est) -82.05(MP est) ----(BP exp) ----(MP exp) CC(P)C(Cl)=C -82.1PredN
ClC1CC(P)C16110122.532C4H8ClP(3-chlorocyclobutyl)phosphaneN146ClC1CC(P)C1InChI=1S/C4H8ClP/c5-3-1-4(6)2-3/h3-4H,1-2,6H2InChIKey=IZTUKKLXJLNDAD-UHFFFAOYSA-N134.5Ex 134.52(BP est) -50.98(MP est) ----(BP exp) ----(MP exp) ClC1CC(P)C1 -51PredN
ClC=CCCP6111122.532C4H8ClP(4-chlorobut-3-en-1-yl)phosphaneN146ClC=CCCPInChI=1S/C4H8ClP/c5-3-1-2-4-6/h1,3H,2,4,6H2InChIKey=BNEZEIRCFRJXNK-UHFFFAOYSA-N127.8Ex 127.75(BP est) -60.59(MP est) ----(BP exp) ----(MP exp) ClC=CCCP -60.6PredN
CC(P)C=CCl6112122.532C4H8ClP(4-chlorobut-3-en-2-yl)phosphaneN146CC(P)C=CClInChI=1S/C4H8ClP/c1-4(6)2-3-5/h2-4H,6H2,1H3InChIKey=YCYDCTPOVHRCIH-UHFFFAOYSA-N113.7Ex 113.74(BP est) -72.18(MP est) ----(BP exp) ----(MP exp) CC(P)C=CCl -72.2PredN
ClC(P)C1CC16113122.532C4H8ClP(chloro(cyclopropyl)methyl)phosphaneN146ClC(P)C1CC1InChI=1S/C4H8ClP/c5-4(6)3-1-2-3/h3-4H,1-2,6H2InChIKey=XQTSYPLJURLBMX-UHFFFAOYSA-N125.3Ex 125.27(BP est) -57.30(MP est) ----(BP exp) ----(MP exp) ClC(P)C1CC1 -57.3PredN
ClCPC1CC16114122.532C4H8ClP(chloromethyl)(cyclopropyl)phosphaneN146ClCPC1CC1InChI=1S/C4H8ClP/c5-3-6-4-1-2-4/h4,6H,1-3H2InChIKey=KEVIXXFQMYHJRP-UHFFFAOYSA-N131.9Ex 131.90(BP est) -56.05(MP est) ----(BP exp) ----(MP exp) ClCPC1CC1 -56.1PredN
CP(CCl)C=C6115122.532C4H8ClP(chloromethyl)(methyl)(vinyl)phosphaneN146CP(CCl)C=CInChI=1S/C4H8ClP/c1-3-6(2)4-5/h3H,1,4H2,2H3InChIKey=UADREEMTQAVLBK-UHFFFAOYSA-N127.2Ex 127.22(BP est) -67.96(MP est) ----(BP exp) ----(MP exp) CP(CCl)C=C -68PredN
ClC(P1CC1)C6116122.532C4H8ClP1-(1-chloroethyl)phosphiraneN146ClC(P1CC1)CInChI=1S/C4H8ClP/c1-4(5)6-2-3-6/h4H,2-3H2,1H3InChIKey=MTCLCPKDGBYEFH-UHFFFAOYSA-N110.8Ex 110.78(BP est) -66.52(MP est) ----(BP exp) ----(MP exp) ClC(P1CC1)C -66.5PredN
ClCCP1CC16117122.532C4H8ClP1-(2-chloroethyl)phosphiraneN146ClCCP1CC1InChI=1S/C4H8ClP/c5-1-2-6-3-4-6/h1-4H2InChIKey=RITFLJKVJUPHSF-UHFFFAOYSA-N137.3Ex 137.31(BP est) -51.28(MP est) ----(BP exp) ----(MP exp) ClCCP1CC1 -51.3PredN
ClCP1CCC16118122.532C4H8ClP1-(chloromethyl)phosphetaneN146ClCP1CCC1InChI=1S/C4H8ClP/c5-4-6-2-1-3-6/h1-4H2InChIKey=LXYQNCKPOKGRRU-UHFFFAOYSA-N139.4Ex 139.37(BP est) -52.44(MP est) ----(BP exp) ----(MP exp) ClCP1CCC1 -52.4PredN
ClC1CP1CC6119122.532C4H8ClP2-chloro-1-ethylphosphiraneN146ClC1CP1CCInChI=1S/C4H8ClP/c1-2-6-3-4(6)5/h4H,2-3H2,1H3InChIKey=ICKCHRWTPFZQTI-UHFFFAOYSA-N118.1Ex 118.12(BP est) -59.00(MP est) ----(BP exp) ----(MP exp) ClC1CP1CC -59PredN
CP1C(Cl)CC16120122.532C4H8ClP2-chloro-1-methylphosphetaneN146CP1C(Cl)CC1InChI=1S/C4H8ClP/c1-6-3-2-4(6)5/h4H,2-3H2,1H3InChIKey=KYTYGTZDOLBWCE-UHFFFAOYSA-N120.3Ex 120.26(BP est) -60.14(MP est) ----(BP exp) ----(MP exp) CP1C(Cl)CC1 -60.1PredN
ClC1PCCC16121122.532C4H8ClP2-chlorophospholaneN146ClC1PCCC1InChI=1S/C4H8ClP/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=QRRUFWMAIUYUTR-UHFFFAOYSA-N121.5Ex 121.46(BP est) -60.86(MP est) ----(BP exp) ----(MP exp) ClC1PCCC1 -60.9PredN
CP1CC(Cl)C16122122.532C4H8ClP3-chloro-1-methylphosphetaneN146CP1CC(Cl)C1InChI=1S/C4H8ClP/c1-6-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=BYGXZNNGOSOZPO-UHFFFAOYSA-N120.3Ex 120.26(BP est) -60.14(MP est) ----(BP exp) ----(MP exp) CP1CC(Cl)C1 -60.1PredN
ClC1CCPC16123122.532C4H8ClP3-chlorophospholaneN146ClC1CCPC1InChI=1S/C4H8ClP/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=ZGDSJDDVBPACEO-UHFFFAOYSA-N121.5Ex 121.46(BP est) -60.86(MP est) ----(BP exp) ----(MP exp) ClC1CCPC1 -60.9PredN
ClCPCC=C6124122.532C4H8ClPallyl(chloromethyl)phosphaneN146ClCPCC=CInChI=1S/C4H8ClP/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=CUPUPWMKDMVGPW-UHFFFAOYSA-N126.3Ex 126.30(BP est) -67.54(MP est) ----(BP exp) ----(MP exp) ClCPCC=C -67.5PredN
CSC(C=C)Cl6125122.61C4H7ClS(1-chloroallyl)(methyl)sulfaneN136CSC(C=C)ClInChI=1S/C4H7ClS/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=CHPZPTSBOWCWKO-UHFFFAOYSA-N127.3Ex 127.30(BP est) -65.05(MP est) ----(BP exp) ----(MP exp) CSC(C=C)Cl -65.1PredN
CSC1(CC1)Cl6126122.61C4H7ClS(1-chlorocyclopropyl)(methyl)sulfaneN136CSC1(CC1)ClInChI=1S/C4H7ClS/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=IIUJCDTVYGHHMU-UHFFFAOYSA-N122.1Ex 122.13(BP est) -37.26(MP est) ----(BP exp) ----(MP exp) CSC1(CC1)Cl -37.3PredN
SCC1(CC1)Cl6127122.61C4H7ClS(1-chlorocyclopropyl)methanethiolN136SCC1(CC1)ClInChI=1S/C4H7ClS/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=SCSJFYNMDLDEES-UHFFFAOYSA-N135.9Ex 135.87(BP est) -32.21(MP est) ----(BP exp) ----(MP exp) SCC1(CC1)Cl -32.2PredN
ClC(SC=C)C6128122.61C4H7ClS(1-chloroethyl)(vinyl)sulfaneN136ClC(SC=C)CInChI=1S/C4H7ClS/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=UTMCUHCXICHJIA-UHFFFAOYSA-N127.3Ex 127.30(BP est) -65.05(MP est) ----(BP exp) ----(MP exp) ClC(SC=C)C -65.1PredN
CSC(Cl)=CC6129122.61C4H7ClS(1-chloroprop-1-en-1-yl)(methyl)sulfaneN136CSC(Cl)=CCInChI=1S/C4H7ClS/c1-3-4(5)6-2/h3H,1-2H3InChIKey=FIIIWKFBYPBVMI-UHFFFAOYSA-N129.1Ex 129.13(BP est) -65.65(MP est) ----(BP exp) ----(MP exp) CSC(Cl)=CC -65.7PredN
CSC(C)=CCl6130122.61C4H7ClS(1-chloroprop-1-en-2-yl)(methyl)sulfaneN136CSC(C)=CClInChI=1S/C4H7ClS/c1-4(3-5)6-2/h3H,1-2H3InChIKey=RLMNHJVYAASWLF-UHFFFAOYSA-N129.1Ex 129.13(BP est) -65.65(MP est) ----(BP exp) ----(MP exp) CSC(C)=CCl -65.7PredN
CCSC(Cl)=C6131122.61C4H7ClS(1-chlorovinyl)(ethyl)sulfaneN136CCSC(Cl)=CInChI=1S/C4H7ClS/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=KBZHSJKNFLEVHP-UHFFFAOYSA-N120.3Ex 120.30(BP est) -66.57(MP est) ----(BP exp) ----(MP exp) CCSC(Cl)=C -66.6PredN
CSCC(Cl)=C6132122.61C4H7ClS(2-chloroallyl)(methyl)sulfaneN136CSCC(Cl)=CInChI=1S/C4H7ClS/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=IKUBOMWNKPIRPX-UHFFFAOYSA-N120.3Ex 120.30(BP est) -66.57(MP est) ----(BP exp) ----(MP exp) CSCC(Cl)=C -66.6PredN
CSC1CC1Cl6133122.61C4H7ClS(2-chlorocyclopropyl)(methyl)sulfaneN136CSC1CC1ClInChI=1S/C4H7ClS/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=ZXJVISSBMBIMCC-UHFFFAOYSA-N140.0Ex 139.98(BP est) -46.11(MP est) ----(BP exp) ----(MP exp) CSC1CC1Cl -46.1PredN
SCC1CC1Cl6134122.61C4H7ClS(2-chlorocyclopropyl)methanethiolN136SCC1CC1ClInChI=1S/C4H7ClS/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=AFANPRVNEKLYCQ-UHFFFAOYSA-N153.3Ex 153.30(BP est) -41.20(MP est) ----(BP exp) ----(MP exp) SCC1CC1Cl -41.2PredN
ClCCSC=C6135122.61C4H7ClS(2-chloroethyl)(vinyl)sulfaneN136ClCCSC=CInChI=1S/C4H7ClS/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=KCCNHHACDJEDCX-UHFFFAOYSA-N153.1Ex 153.10(BP est) -50.01(MP est) ----(BP exp) ----(MP exp) ClCCSC=C -50PredN
CSC=C(C)Cl6136122.61C4H7ClS(2-chloroprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(C)ClInChI=1S/C4H7ClS/c1-4(5)3-6-2/h3H,1-2H3InChIKey=FVDZJORLENEEGZ-UHFFFAOYSA-N129.1Ex 129.13(BP est) -65.65(MP est) ----(BP exp) ----(MP exp) CSC=C(C)Cl -65.7PredN
CCSC=CCl6137122.61C4H7ClS(2-chlorovinyl)(ethyl)sulfaneN136CCSC=CClInChI=1S/C4H7ClS/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=UIRMKTPTPVGOAI-UHFFFAOYSA-N135.4Ex 135.35(BP est) -56.86(MP est) ----(BP exp) ----(MP exp) CCSC=CCl -56.9PredN
CSCC=CCl6138122.61C4H7ClS(3-chloroallyl)(methyl)sulfaneN136CSCC=CClInChI=1S/C4H7ClS/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=HCIXJOBDKZGWCV-UHFFFAOYSA-N135.4Ex 135.35(BP est) -56.86(MP est) ----(BP exp) ----(MP exp) CSCC=CCl -56.9PredN
CSC=C(CCl)6139122.61C4H7ClS(3-chloroprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(CCl)InChI=1S/C4H7ClS/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=BSMTZKSHNNDCBK-UHFFFAOYSA-N161.4Ex 161.43(BP est) -49.24(MP est) ----(BP exp) ----(MP exp) CSC=C(CCl) -49.2PredN
CSC(CCl)=C6140122.61C4H7ClS(3-chloroprop-1-en-2-yl)(methyl)sulfaneN136CSC(CCl)=CInChI=1S/C4H7ClS/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=POZLPWYAYMOWCS-UHFFFAOYSA-N147.1Ex 147.08(BP est) -58.75(MP est) ----(BP exp) ----(MP exp) CSC(CCl)=C -58.8PredN
ClCSC1CC16141122.61C4H7ClS(chloromethyl)(cyclopropyl)sulfaneN136ClCSC1CC1InChI=1S/C4H7ClS/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=OVOPAYJWWWFOPZ-UHFFFAOYSA-N158.4Ex 158.44(BP est) -38.60(MP est) ----(BP exp) ----(MP exp) ClCSC1CC1 -38.6PredN
C(Cl)SC=C(C)6142122.61C4H7ClS(chloromethyl)(prop-1-en-1-yl)sulfaneN136C(Cl)SC=C(C)InChI=1S/C4H7ClS/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=DKKWGPWIRMGKKA-UHFFFAOYSA-N161.4Ex 161.43(BP est) -49.24(MP est) ----(BP exp) ----(MP exp) C(Cl)SC=C(C) -49.2PredN
ClCSC(C)=C6143122.61C4H7ClS(chloromethyl)(prop-1-en-2-yl)sulfaneN136ClCSC(C)=CInChI=1S/C4H7ClS/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=WUXNWCTUBCFNQV-UHFFFAOYSA-N147.1Ex 147.08(BP est) -58.75(MP est) ----(BP exp) ----(MP exp) ClCSC(C)=C -58.8PredN
SC(CCl)(C1)(C1)6144122.61C4H7ClS1-(chloromethyl)cyclopropane-1-thiolN136SC(CCl)(C1)(C1)InChI=1S/C4H7ClS/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=CTMCHTVHDMYBEV-UHFFFAOYSA-N160.0Ex 160.01(BP est) -25.17(MP est) ----(BP exp) ----(MP exp) SC(CCl)(C1)(C1) -25.2PredN
SC(CC=C)Cl6145122.61C4H7ClS1-chlorobut-3-ene-1-thiolN136SC(CC=C)ClInChI=1S/C4H7ClS/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=BGRRRAFVSLHFIK-UHFFFAOYSA-N140.9Ex 140.92(BP est) -60.04(MP est) ----(BP exp) ----(MP exp) SC(CC=C)Cl -60PredN
SC(C=C)CCl6146122.61C4H7ClS1-chlorobut-3-ene-2-thiolN136SC(C=C)CClInChI=1S/C4H7ClS/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=XKQRZSKAWWYULV-UHFFFAOYSA-N153.0Ex 153.03(BP est) -56.50(MP est) ----(BP exp) ----(MP exp) SC(C=C)CCl -56.5PredN
SC1(CCC1)Cl6147122.61C4H7ClS1-chlorocyclobutane-1-thiolN136SC1(CCC1)ClInChI=1S/C4H7ClS/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=QJSFLOMFNNXADN-UHFFFAOYSA-N137.9Ex 137.94(BP est) -33.37(MP est) ----(BP exp) ----(MP exp) SC1(CCC1)Cl -33.4PredN
ClC(C)C1CS16148122.61C4H7ClS2-(1-chloroethyl)thiiraneN136ClC(C)C1CS1InChI=1S/C4H7ClS/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=WOIHFPJCIFTANY-UHFFFAOYSA-N130.4Ex 130.41(BP est) -32.76(MP est) ----(BP exp) ----(MP exp) ClC(C)C1CS1 -32.8PredN
ClCCC1CS16149122.61C4H7ClS2-(2-chloroethyl)thiiraneN136ClCCC1CS1InChI=1S/C4H7ClS/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=CGFJEAZVTRONEA-UHFFFAOYSA-N156.1Ex 156.07(BP est) -17.77(MP est) ----(BP exp) ----(MP exp) ClCCC1CS1 -17.8PredN
CC1(CCl)CS16150122.61C4H7ClS2-(chloromethyl)-2-methylthiiraneN136CC1(CCl)CS1InChI=1S/C4H7ClS/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=RYVLXOUOFMZVRE-UHFFFAOYSA-N144.4Ex 144.43(BP est) -9.22(MP est) ----(BP exp) ----(MP exp) CC1(CCl)CS1 -9.2PredN
CC1C(CCl)S16151122.61C4H7ClS2-(chloromethyl)-3-methylthiiraneN136CC1C(CCl)S1InChI=1S/C4H7ClS/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=RQFHPDCEIBFOEU-UHFFFAOYSA-N149.7Ex 149.71(BP est) -21.75(MP est) ----(BP exp) ----(MP exp) CC1C(CCl)S1 -21.8PredN
ClCC1SCC16152122.61C4H7ClS2-(chloromethyl)thietaneN136ClCC1SCC1InChI=1S/C4H7ClS/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=LHIXHINRFDUZGE-UHFFFAOYSA-N158.1Ex 158.06(BP est) -18.95(MP est) ----(BP exp) ----(MP exp) ClCC1SCC1 -19PredN
SC1(CC1Cl)C6153122.61C4H7ClS2-chloro-1-methylcyclopropane-1-thiolN136SC1(CC1Cl)CInChI=1S/C4H7ClS/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=BKOSAMGMOBETLF-UHFFFAOYSA-N141.6Ex 141.60(BP est) -32.66(MP est) ----(BP exp) ----(MP exp) SC1(CC1Cl)C -32.7PredN
CC1C(Cl)(C)S16154122.61C4H7ClS2-chloro-2,3-dimethylthiiraneN136CC1C(Cl)(C)S1InChI=1S/C4H7ClS/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=NLSZOWIWTJCFIM-UHFFFAOYSA-N112.8Ex 112.81(BP est) -20.57(MP est) ----(BP exp) ----(MP exp) CC1C(Cl)(C)S1 -20.6PredN
ClC1(CC)CS16155122.61C4H7ClS2-chloro-2-ethylthiiraneN136ClC1(CC)CS1InChI=1S/C4H7ClS/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=SIBSGMXZZADPBM-UHFFFAOYSA-N119.6Ex 119.60(BP est) -16.47(MP est) ----(BP exp) ----(MP exp) ClC1(CC)CS1 -16.5PredN
ClC1(C)SCC16156122.61C4H7ClS2-chloro-2-methylthietaneN136ClC1(C)SCC1InChI=1S/C4H7ClS/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=WLHSVWMYGQKCKZ-UHFFFAOYSA-N121.7Ex 121.73(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) ClC1(C)SCC1 -17.6PredN
ClC1C(CC)S16157122.61C4H7ClS2-chloro-3-ethylthiiraneN136ClC1C(CC)S1InChI=1S/C4H7ClS/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=VREYDKNLXIDMSW-UHFFFAOYSA-N137.5Ex 137.52(BP est) -25.31(MP est) ----(BP exp) ----(MP exp) ClC1C(CC)S1 -25.3PredN
ClC1SCC1C6158122.61C4H7ClS2-chloro-3-methylthietaneN136ClC1SCC1CInChI=1S/C4H7ClS/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=MYLXBYMUDYAOEW-UHFFFAOYSA-N139.6Ex 139.59(BP est) -26.46(MP est) ----(BP exp) ----(MP exp) ClC1SCC1C -26.5PredN
ClC1CC(C)S16159122.61C4H7ClS2-chloro-4-methylthietaneN136ClC1CC(C)S1InChI=1S/C4H7ClS/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=ABWNJIAVASYZQE-UHFFFAOYSA-N139.6Ex 139.59(BP est) -26.46(MP est) ----(BP exp) ----(MP exp) ClC1CC(C)S1 -26.5PredN
SCC(C=C)Cl6160122.61C4H7ClS2-chlorobut-3-ene-1-thiolN136SCC(C=C)ClInChI=1S/C4H7ClS/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=WPUFMCNDJAJVNO-UHFFFAOYSA-N140.9Ex 140.92(BP est) -60.04(MP est) ----(BP exp) ----(MP exp) SCC(C=C)Cl -60PredN
SC(C)(C=C)Cl6161122.61C4H7ClS2-chlorobut-3-ene-2-thiolN136SC(C)(C=C)ClInChI=1S/C4H7ClS/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=AIKTWKXIRLSDBP-UHFFFAOYSA-N119.4Ex 119.42(BP est) -57.61(MP est) ----(BP exp) ----(MP exp) SC(C)(C=C)Cl -57.6PredN
SC1CCC1Cl6162122.61C4H7ClS2-chlorocyclobutane-1-thiolN136SC1CCC1ClInChI=1S/C4H7ClS/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=UMLDPOVMQSZEMP-UHFFFAOYSA-N155.3Ex 155.30(BP est) -42.37(MP est) ----(BP exp) ----(MP exp) SC1CCC1Cl -42.4PredN
ClC1SCCC16163122.61C4H7ClS2-chlorotetrahydrothiopheneN136ClC1SCCC1InChI=1S/C4H7ClS/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=PBMRSJFQYCTCPS-UHFFFAOYSA-N148.1Ex 148.10(BP est) -23.62(MP est) ----(BP exp) ----(MP exp) ClC1SCCC1 -23.6PredN
ClCC1CSC16164122.61C4H7ClS3-(chloromethyl)thietaneN136ClCC1CSC1InChI=1S/C4H7ClS/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=GMAMNBSJERJKIY-UHFFFAOYSA-N158.1Ex 158.06(BP est) -18.95(MP est) ----(BP exp) ----(MP exp) ClCC1CSC1 -19PredN
ClC1C(C)(C)S16165122.61C4H7ClS3-chloro-2,2-dimethylthiiraneN136ClC1C(C)(C)S1InChI=1S/C4H7ClS/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=VXYKGEDJCDFEQK-UHFFFAOYSA-N125.5Ex 125.49(BP est) -16.87(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(C)S1 -16.9PredN
CC1SCC1Cl6166122.61C4H7ClS3-chloro-2-methylthietaneN136CC1SCC1ClInChI=1S/C4H7ClS/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=HNCUFXQLUYEZFM-UHFFFAOYSA-N139.6Ex 139.59(BP est) -26.46(MP est) ----(BP exp) ----(MP exp) CC1SCC1Cl -26.5PredN
ClC1(C)CSC16167122.61C4H7ClS3-chloro-3-methylthietaneN136ClC1(C)CSC1InChI=1S/C4H7ClS/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=HOGBWPBUHLDXSL-UHFFFAOYSA-N121.7Ex 121.73(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) ClC1(C)CSC1 -17.6PredN
SCCC(Cl)=C6168122.61C4H7ClS3-chlorobut-3-ene-1-thiolN136SCCC(Cl)=CInChI=1S/C4H7ClS/c1-4(5)2-3-6/h6H,1-3H2InChIKey=WAUODRXNQVSACO-UHFFFAOYSA-N134.1Ex 134.08(BP est) -61.52(MP est) ----(BP exp) ----(MP exp) SCCC(Cl)=C -61.5PredN
SC(C(Cl)=C)C6169122.61C4H7ClS3-chlorobut-3-ene-2-thiolN136SC(C(Cl)=C)CInChI=1S/C4H7ClS/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=MFSUUFHKLBXAIB-UHFFFAOYSA-N120.2Ex 120.23(BP est) -73.06(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)=C)C -73.1PredN
SC1CC(Cl)C16170122.61C4H7ClS3-chlorocyclobutane-1-thiolN136SC1CC(Cl)C1InChI=1S/C4H7ClS/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=LXCLCMGWKZDDPA-UHFFFAOYSA-N155.3Ex 155.30(BP est) -42.37(MP est) ----(BP exp) ----(MP exp) SC1CC(Cl)C1 -42.4PredN
ClC1CCSC16171122.61C4H7ClS3-chlorotetrahydrothiopheneN136ClC1CCSC1InChI=1S/C4H7ClS/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=FYJORLSZDFEGRK-UHFFFAOYSA-N148.1Ex 148.10(BP est) -23.62(MP est) ----(BP exp) ----(MP exp) ClC1CCSC1 -23.6PredN
SCCC=CCl6172122.61C4H7ClS4-chlorobut-3-ene-1-thiolN136SCCC=CClInChI=1S/C4H7ClS/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=PWAHKTPZJBEMTJ-UHFFFAOYSA-N148.8Ex 148.78(BP est) -51.91(MP est) ----(BP exp) ----(MP exp) SCCC=CCl -51.9PredN
SC(C=CCl)C6173122.61C4H7ClS4-chlorobut-3-ene-2-thiolN136SC(C=CCl)CInChI=1S/C4H7ClS/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=WTQYNARVFSXQOD-UHFFFAOYSA-N135.3Ex 135.28(BP est) -63.35(MP est) ----(BP exp) ----(MP exp) SC(C=CCl)C -63.4PredN
ClCSCC=C6174122.61C4H7ClSallyl(chloromethyl)sulfaneN136ClCSCC=CInChI=1S/C4H7ClS/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=XAKHMXAZBAGPKG-UHFFFAOYSA-N153.1Ex 153.10(BP est) -50.01(MP est) ----(BP exp) ----(MP exp) ClCSCC=C -50PredN
SC(C1CC1)Cl6175122.61C4H7ClSchloro(cyclopropyl)methanethiolN136SC(C1CC1)ClInChI=1S/C4H7ClS/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=AIDSYIHALFDZBZ-UHFFFAOYSA-N146.4Ex 146.39(BP est) -48.59(MP est) ----(BP exp) ----(MP exp) SC(C1CC1)Cl -48.6PredN
ClC[Si]1(O)CC16176122.623C3H7ClOSi1-(chloromethyl)siliran-1-olN136ClC[Si]1(O)CC1InChI=1S/C3H7ClOSi/c4-3-6(5)1-2-6/h5H,1-3H2InChIKey=ZUMJXKOBFDWGTN-UHFFFAOYSA-N162.9Ex 162.89(BP est) 18.57(MP est) ----(BP exp) ----(MP exp) ClC[Si]1(O)CC1 18.6PredN
C[Si]1(O)CC1Cl6177122.623C3H7ClOSi2-chloro-1-methylsiliran-1-olN136C[Si]1(O)CC1ClInChI=1S/C3H7ClOSi/c1-6(5)2-3(6)4/h3,5H,2H2,1H3InChIKey=JOPFQVSEDCMGRX-UHFFFAOYSA-N144.6Ex 144.58(BP est) 11.11(MP est) ----(BP exp) ----(MP exp) C[Si]1(O)CC1Cl 11.1PredN
C[Si](C)(CCl)C6178122.667C4H11ClSi(chloromethyl)trimethylsilaneN176C[Si](C)(CCl)CInChI=1S/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3InChIKey=OOCUOKHIVGWCTJ-UHFFFAOYSA-N98.6Ex 87.77(BP est) -81.47(MP est) 98.50(BP exp) ----(MP exp) C[Si](C)(CCl)C -81.5PredN
C(Br)#C(F)6182122.924C2BrF1-bromo-2-fluoroethyneN44C(Br)#C(F)InChI=1S/C2BrF/c3-1-2-4InChIKey=DYNZNQBLUJEXQI-UHFFFAOYSA-N73.1Ex 73.14(BP est) -32.66(MP est) ----(BP exp) ----(MP exp) C(Br)#C(F) -32.7PredN
O=CCBr6183122.949C2H3BrO2-bromoacetaldehydeN74O=CCBrInChI=1S/C2H3BrO/c3-1-2-4/h2H,1H2InChIKey=NMPVEAUIHMEAQP-UHFFFAOYSA-N114.7Ex 114.67(BP est) -52.88(MP est) ----(BP exp) ----(MP exp) O=CCBr -52.9PredY(Kladi et al. 2004)
BrC1CO16184122.949C2H3BrO2-bromooxiraneN74BrC1CO1InChI=1S/C2H3BrO/c3-2-1-4-2/h2H,1H2InChIKey=XOOVDXMNWOFROX-UHFFFAOYSA-N88.4Ex 88.43(BP est) -59.29(MP est) ----(BP exp) ----(MP exp) BrC1CO1 -59.3PredN
ClC(Cl)=C1CC16185122.976C4H4Cl2(dichloromethylene)cyclopropaneN106ClC(Cl)=C1CC1InChI=1S/C4H4Cl2/c5-4(6)3-1-2-3/h1-2H2InChIKey=VKLVLALOGWSAOD-UHFFFAOYSA-N103.8Ex 103.84(BP est) -56.46(MP est) ----(BP exp) ----(MP exp) ClC(Cl)=C1CC1 -56.5PredN
ClC(Cl)C1=CC16186122.976C4H4Cl21-(dichloromethyl)cycloprop-1-eneN106ClC(Cl)C1=CC1InChI=1S/C4H4Cl2/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=CXMYCKQISYSVQC-UHFFFAOYSA-N123.8Ex 123.76(BP est) -49.71(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1=CC1 -49.7PredN
C=C1CC1(Cl)Cl6187122.976C4H4Cl21,1-dichloro-2-methylenecyclopropaneN106C=C1CC1(Cl)ClInChI=1S/C4H4Cl2/c1-3-2-4(3,5)6/h1-2H2InChIKey=ZXJLSJGRBYTJTQ-UHFFFAOYSA-N100.0Ex 85.68(BP est) -43.30(MP est) ----(BP exp) ----(MP exp) C=C1CC1(Cl)Cl -43.3PredN
CC#CC(Cl)Cl6188122.976C4H4Cl21,1-dichlorobut-2-yneN106CC#CC(Cl)ClInChI=1S/C4H4Cl2/c1-2-3-4(5)6/h4H,1H3InChIKey=HIBREDQLOHWYLQ-UHFFFAOYSA-N128.8Ex 128.80(BP est) -12.92(MP est) ----(BP exp) ----(MP exp) CC#CC(Cl)Cl -12.9PredN
C=CC=C(Cl)Cl6189122.976C4H4Cl21,1-dichlorobuta-1,3-dieneN106C=CC=C(Cl)ClInChI=1S/C4H4Cl2/c1-2-3-4(5)6/h2-3H,1H2InChIKey=PDKAXHLOFWCWIH-UHFFFAOYSA-N95.2Ex 95.18(BP est) -78.68(MP est) ----(BP exp) ----(MP exp) C=CC=C(Cl)Cl -78.7PredN
ClC(C1C)=C1Cl6190122.976C4H4Cl21,2-dichloro-3-methylcycloprop-1-eneN106ClC(C1C)=C1ClInChI=1S/C4H4Cl2/c1-2-3(5)4(2)6/h2H,1H3InChIKey=SVAVMKFZTSBEGK-UHFFFAOYSA-N99.3Ex 99.26(BP est) -45.22(MP est) ----(BP exp) ----(MP exp) ClC(C1C)=C1Cl -45.2PredN
C=C1C(Cl)C1Cl6191122.976C4H4Cl21,2-dichloro-3-methylenecyclopropaneN106C=C1C(Cl)C1ClInChI=1S/C4H4Cl2/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=UABVPNLANXJCKI-UHFFFAOYSA-N117.5Ex 117.46(BP est) -48.09(MP est) ----(BP exp) ----(MP exp) C=C1C(Cl)C1Cl -48.1PredN
C=CC(Cl)=CCl6192122.976C4H4Cl21,2-dichlorobuta-1,3-dieneN106C=CC(Cl)=CClInChI=1S/C4H4Cl2/c1-2-4(6)3-5/h2-3H,1H2InChIKey=CRNSOGJNJXTEQG-UHFFFAOYSA-N175.4Ex 95.18(BP est) -78.68(MP est) ----(BP exp) ----(MP exp) C=CC(Cl)=CCl -78.7PredN
ClC1=C(Cl)CC16193122.976C4H4Cl21,2-dichlorocyclobut-1-eneN106ClC1=C(Cl)CC1InChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1-2H2InChIKey=SCKHIBMTSKZHQF-UHFFFAOYSA-N108.4Ex 108.37(BP est) -42.20(MP est) ----(BP exp) ----(MP exp) ClC1=C(Cl)CC1 -42.2PredN
ClC(C1Cl)=C1C6194122.976C4H4Cl21,3-dichloro-2-methylcycloprop-1-eneN106ClC(C1Cl)=C1CInChI=1S/C4H4Cl2/c1-2-3(5)4(2)6/h3H,1H3InChIKey=JFTWRPUCEOJIHC-UHFFFAOYSA-N114.3Ex 114.31(BP est) -40.83(MP est) ----(BP exp) ----(MP exp) ClC(C1Cl)=C1C -40.8PredN
ClC1=CC1(C)Cl6195122.976C4H4Cl21,3-dichloro-3-methylcycloprop-1-eneN106ClC1=CC1(C)ClInChI=1S/C4H4Cl2/c1-4(6)2-3(4)5/h2H,1H3InChIKey=SWRARDKIOBOMSB-UHFFFAOYSA-N90.7Ex 90.72(BP est) -42.03(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(C)Cl -42PredN
CC(C#CCl)Cl6196122.976C4H4Cl21,3-dichlorobut-1-yneN106CC(C#CCl)ClInChI=1S/C4H4Cl2/c1-4(6)2-3-5/h4H,1H3InChIKey=UZHLWUKWYKZNEM-UHFFFAOYSA-N114.1Ex 114.11(BP est) -17.21(MP est) ----(BP exp) ----(MP exp) CC(C#CCl)Cl -17.2PredN
C=C(C=CCl)Cl6197122.976C4H4Cl21,3-dichlorobuta-1,3-dieneN106C=C(C=CCl)ClInChI=1S/C4H4Cl2/c1-4(6)2-3-5/h2-3H,1H2InChIKey=AESKNZUOHQWKTE-UHFFFAOYSA-N95.2Ex 95.18(BP est) -78.68(MP est) ----(BP exp) ----(MP exp) C=C(C=CCl)Cl -78.7PredN
ClC1CC(Cl)=C16198122.976C4H4Cl21,3-dichlorocyclobut-1-eneN106ClC1CC(Cl)=C1InChI=1S/C4H4Cl2/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=OHQUEPQTMPKUPS-UHFFFAOYSA-N118.5Ex 118.46(BP est) -47.64(MP est) ----(BP exp) ----(MP exp) ClC1CC(Cl)=C1 -47.6PredN
ClCCC#CCl6199122.976C4H4Cl21,4-dichlorobut-1-yneN106ClCCC#CClInChI=1S/C4H4Cl2/c5-3-1-2-4-6/h1,3H2InChIKey=XEWVKAUWLHVBHH-UHFFFAOYSA-N140.5Ex 140.50(BP est) -2.00(MP est) ----(BP exp) ----(MP exp) ClCCC#CCl -2PredN
C(CCl)#C(CCl)6200122.976C4H4Cl21,4-dichlorobut-2-yneN106C(CCl)#C(CCl)InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2InChIKey=RCHDLEVSZBOHOS-UHFFFAOYSA-N164.8Ex 166.33(BP est) 5.54(MP est) 165.50(BP exp) ----(MP exp) C(CCl)#C(CCl) 5.5PredN
ClC=CC=CCl6201122.976C4H4Cl21,4-dichlorobuta-1,3-dieneN106ClC=CC=CClInChI=1S/C4H4Cl2/c5-3-1-2-4-6/h1-4HInChIKey=LDZSRRMBFGBOAE-UHFFFAOYSA-N110.9Ex 110.86(BP est) -68.79(MP est) ----(BP exp) ----(MP exp) ClC=CC=CCl -68.8PredN
ClC1CC=C1Cl6202122.976C4H4Cl21,4-dichlorocyclobut-1-eneN106ClC1CC=C1ClInChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=ZJXQPZCDDBFVGZ-UHFFFAOYSA-N118.5Ex 118.46(BP est) -47.64(MP est) ----(BP exp) ----(MP exp) ClC1CC=C1Cl -47.6PredN
ClC(C1)=C1CCl6203122.976C4H4Cl21-chloro-2-(chloromethyl)cycloprop-1-eneN106ClC(C1)=C1CClInChI=1S/C4H4Cl2/c5-2-3-1-4(3)6/h1-2H2InChIKey=TYZXLTFOJVWZRG-UHFFFAOYSA-N133.6Ex 133.61(BP est) -33.07(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1CCl -33.1PredN
ClC=C1CC1Cl6204122.976C4H4Cl21-chloro-2-(chloromethylene)cyclopropaneN106ClC=C1CC1ClInChI=1S/C4H4Cl2/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=CUMPBKFEXQGCKU-UHFFFAOYSA-N118.4Ex 118.38(BP est) -47.36(MP est) ----(BP exp) ----(MP exp) ClC=C1CC1Cl -47.4PredN
ClC1=CC1CCl6205122.976C4H4Cl21-chloro-3-(chloromethyl)cycloprop-1-eneN106ClC1=CC1CClInChI=1S/C4H4Cl2/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=SHBUOUIIVARLFA-UHFFFAOYSA-N129.0Ex 128.96(BP est) -42.81(MP est) ----(BP exp) ----(MP exp) ClC1=CC1CCl -42.8PredN
C=C(C(Cl)=C)Cl6206122.976C4H4Cl22,3-dichlorobuta-1,3-dieneN106C=C(C(Cl)=C)ClInChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2InChIKey=LIFLRQVHKGGNSG-UHFFFAOYSA-N102.1Ex 79.11(BP est) -88.69(MP est) 98.00(BP exp) ----(MP exp) C=C(C(Cl)=C)Cl -88.7PredN
ClC(Cl)C1C=C16207122.976C4H4Cl23-(dichloromethyl)cycloprop-1-eneN106ClC(Cl)C1C=C1InChI=1S/C4H4Cl2/c5-4(6)3-1-2-3/h1-4HInChIKey=LNBOMULHBKDXKJ-UHFFFAOYSA-N119.0Ex 119.03(BP est) -59.47(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1C=C1 -59.5PredN
CC1=CC1(Cl)Cl6208122.976C4H4Cl23,3-dichloro-1-methylcycloprop-1-eneN106CC1=CC1(Cl)ClInChI=1S/C4H4Cl2/c1-3-2-4(3,5)6/h2H,1H3InChIKey=AQXXBPJUBOOKOQ-UHFFFAOYSA-N92.9Ex 92.88(BP est) -41.40(MP est) ----(BP exp) ----(MP exp) CC1=CC1(Cl)Cl -41.4PredN
CC(Cl)(C#C)Cl6209122.976C4H4Cl23,3-dichlorobut-1-yneN106CC(Cl)(C#C)ClInChI=1S/C4H4Cl2/c1-3-4(2,5)6/h1H,2H3InChIKey=HKKHMRAUYJLSMA-UHFFFAOYSA-N84.7Ex 84.66(BP est) -46.66(MP est) ----(BP exp) ----(MP exp) CC(Cl)(C#C)Cl -46.7PredN
ClC1(Cl)CC=C16210122.976C4H4Cl23,3-dichlorocyclobut-1-eneN106ClC1(Cl)CC=C1InChI=1S/C4H4Cl2/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=UPIPLUWGOOYSNV-UHFFFAOYSA-N97.2Ex 97.17(BP est) -48.16(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CC=C1 -48.2PredN
ClCC(C#C)Cl6211122.976C4H4Cl23,4-dichlorobut-1-yneN106ClCC(C#C)ClInChI=1S/C4H4Cl2/c1-2-4(6)3-5/h1,4H,3H2InChIKey=FNYMSJZNXVMYTR-UHFFFAOYSA-N132.7Ex 132.74(BP est) -41.33(MP est) ----(BP exp) ----(MP exp) ClCC(C#C)Cl -41.3PredN
ClC1C(Cl)C=C16212122.976C4H4Cl23,4-dichlorocyclobut-1-eneN106ClC1C(Cl)C=C1InChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1-4HInChIKey=MNOAQNJDZROAPA-UHFFFAOYSA-N133.0Ex 128.38(BP est) -53.12(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)C=C1 -53.1PredN
ClCC1=CC1Cl6213122.976C4H4Cl23-chloro-1-(chloromethyl)cycloprop-1-eneN106ClCC1=CC1ClInChI=1S/C4H4Cl2/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=WJXWFRBDDCLXQR-UHFFFAOYSA-N143.3Ex 143.28(BP est) -38.63(MP est) ----(BP exp) ----(MP exp) ClCC1=CC1Cl -38.6PredN
ClC1(CCl)C=C16214122.976C4H4Cl23-chloro-3-(chloromethyl)cycloprop-1-eneN106ClC1(CCl)C=C1InChI=1S/C4H4Cl2/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=BHWCPSXFZPXCGV-UHFFFAOYSA-N120.8Ex 120.82(BP est) -39.50(MP est) ----(BP exp) ----(MP exp) ClC1(CCl)C=C1 -39.5PredN
ClC(CC#C)Cl6215122.976C4H4Cl24,4-dichlorobut-1-yneN106ClC(CC#C)ClInChI=1S/C4H4Cl2/c1-2-3-4(5)6/h1,4H,3H2InChIKey=GZSQUXHPCHUPPD-UHFFFAOYSA-N120.2Ex 120.18(BP est) -45.00(MP est) ----(BP exp) ----(MP exp) ClC(CC#C)Cl -45PredN
CCCBr6216122.993C3H7Br1-bromopropaneN114CCCBrInChI=1S/C3H7Br/c1-2-3-4/h2-3H2,1H3InChIKey=CYNYIHKIEHGYOZ-UHFFFAOYSA-N71.0Ex 77.57(BP est) -79.08(MP est) 71.10(BP exp) -110.00(MP exp) CCCBr -110ExptY(Gribble 2003)
CC(C)Br6217122.993C3H7Br2-bromopropaneN114CC(C)BrInChI=1S/C3H7Br/c1-3(2)4/h3H,1-2H3InChIKey=NAMYKGVDVNBCFQ-UHFFFAOYSA-N59.1Ex 62.43(BP est) -91.00(MP est) 59.50(BP exp) -89.00(MP exp) CC(C)Br -89ExptN
S=P(NC)(C)C6224123.154C3H10NPSN,P,P-trimethylphosphinothioic amideN166S=P(NC)(C)CInChI=1S/C3H10NPS/c1-4-5(2,3)6/h1-3H3,(H,4,6)InChIKey=RNOARWFQKFRPKK-UHFFFAOYSA-N140.6Ex 140.58(BP est) -107.44(MP est) ----(BP exp) ----(MP exp) S=P(NC)(C)C -107.4PredN
P12P3P1P236227123.895P4tricyclo[1.1.0.0(2,4)]tetraphosphaneN44P12P3P1P23InChI=1S/P4/c1-2-3(1)4(1)2InChIKey=OBSZRRSYVTXPNB-UHFFFAOYSA-N94.3Ex 523.70(BP est) 207.57(MP est) ----(BP exp) ----(MP exp) P12P3P1P23 207.6PredN
NC(C#CCl)Cl6229123.964C3H3Cl2N1,3-dichloroprop-2-yn-1-amineN96NC(C#CCl)ClInChI=1S/C3H3Cl2N/c4-2-1-3(5)6/h3H,6H2InChIKey=KATBVMLBECVJSS-UHFFFAOYSA-N151.7Ex 151.67(BP est) 29.75(MP est) ----(BP exp) ----(MP exp) NC(C#CCl)Cl 29.8PredN
ClC(Cl)C1=CN16230123.964C3H3Cl2N2-(dichloromethyl)-1H-azirineN96ClC(Cl)C1=CN1InChI=1S/C3H3Cl2N/c4-3(5)2-1-6-2/h1,3,6HInChIKey=ABWXBZUUYOUCCD-UHFFFAOYSA-N159.9Ex 159.86(BP est) 7.71(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1=CN1 7.7PredN
ClC(N1)=C1CCl6231123.964C3H3Cl2N2-chloro-3-(chloromethyl)-1H-azirineN96ClC(N1)=C1CClInChI=1S/C3H3Cl2N/c4-1-2-3(5)6-2/h6H,1H2InChIKey=GCKAUKLUOWNKGZ-UHFFFAOYSA-N169.1Ex 169.09(BP est) 24.16(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1CCl 24.2PredN
NC(C)Br6233123.981C2H6BrN1-bromoethan-1-amineN104NC(C)BrInChI=1S/C2H6BrN/c1-2(3)4/h2H,4H2,1H3InChIKey=DEUNDOQBBBBJGK-UHFFFAOYSA-N103.1Ex 103.14(BP est) -43.12(MP est) ----(BP exp) ----(MP exp) NC(C)Br -43.1PredN
CNCBr6234123.981C2H6BrN1-bromo-N-methylmethanamineN104CNCBrInChI=1S/C2H6BrN/c1-4-2-3/h4H,2H2,1H3InChIKey=BNNSFQWIRZKSBR-UHFFFAOYSA-N98.9Ex 98.85(BP est) -52.17(MP est) ----(BP exp) ----(MP exp) CNCBr -52.2PredN
NCCBr6235123.981C2H6BrN2-bromoethan-1-amineN104NCCBrInChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2InChIKey=IZQAUUVBKYXMET-UHFFFAOYSA-N117.4Ex 117.39(BP est) -31.46(MP est) ----(BP exp) ----(MP exp) NCCBr -31.5PredN
CP(C)(=S)OC6244124.138C3H9OPSO-methyl dimethylphosphinothioateN156CP(C)(=S)OCInChI=1S/C3H9OPS/c1-4-5(2,3)6/h1-3H3InChIKey=GAHXOXQSTKWBME-UHFFFAOYSA-N121.6Ex 121.62(BP est) -128.19(MP est) ----(BP exp) ----(MP exp) CP(C)(=S)OC -128.2PredN
CP(C)(=O)SC6245124.138C3H9OPSS-methyl dimethylphosphinothioateN156CP(C)(=O)SCInChI=1S/C3H9OPS/c1-5(2,4)6-3/h1-3H3InChIKey=QUVGDXXAHKBWGD-UHFFFAOYSA-N168.9Ex 168.90(BP est) -48.30(MP est) ----(BP exp) ----(MP exp) CP(C)(=O)SC -48.3PredN
O=S1OCCS16249124.172C2H4O2S21,2,3-oxadithiolane 2-oxideN106O=S1OCCS1InChI=1S/C2H4O2S2/c3-6-4-1-2-5-6/h1-2H2InChIKey=RVFDFCGMWXWXOY-UHFFFAOYSA-N224.1Ex 224.12(BP est) 32.07(MP est) ----(BP exp) ----(MP exp) O=S1OCCS1 32.1PredN
O=S1(=O)CSC16250124.172C2H4O2S21,3-dithietane 1,1-dioxideN106O=S1(=O)CSC1InChI=1S/C2H4O2S2/c3-6(4)1-5-2-6/h1-2H2InChIKey=IMOOXNHDHWCALS-UHFFFAOYSA-N211.6Ex 211.59(BP est) 36.18(MP est) ----(BP exp) ----(MP exp) O=S1(=O)CSC1 36.2PredN
O=S1CS(=O)C16251124.172C2H4O2S21,3-dithietane 1,3-dioxideN106O=S1CS(=O)C1InChI=1S/C2H4O2S2/c3-5-1-6(4)2-5/h1-2H2InChIKey=DPNVWICYQWKNNX-UHFFFAOYSA-N262.7Ex 262.72(BP est) 52.29(MP est) ----(BP exp) ----(MP exp) O=S1CS(=O)C1 52.3PredN
OC(=O)CSS6252124.172C2H4O2S22-disulfaneylacetic acidN106OC(=O)CSSInChI=1S/C2H4O2S2/c3-2(4)1-6-5/h5H,1H2,(H,3,4)InChIKey=PGZVLQZGIANFHW-UHFFFAOYSA-N250.9Ex 250.91(BP est) 51.72(MP est) ----(BP exp) ----(MP exp) OC(=O)CSS 51.7PredN
OCC(S)CS6253124.216C3H8OS22,3-dimercaptopropan-1-olN146OCC(S)CSInChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2InChIKey=WQABCVAJNWAXTE-UHFFFAOYSA-N222.8Ex 226.30(BP est) -6.19(MP est) ----(BP exp) ----(MP exp) OCC(S)CS -6.2PredN
O=S(C)CSC6254124.216C3H8OS2methyl((methylsulfinyl)methyl)sulfaneN146O=S(C)CSCInChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3InChIKey=OTKFCIVOVKCFHR-UHFFFAOYSA-N210.5Ex 210.50(BP est) -2.97(MP est) ----(BP exp) ----(MP exp) O=S(C)CSC -3PredN
S1SSCC16255124.234C2H4S31,2,3-trithiolaneN95S1SSCC1InChI=1S/C2H4S3/c1-2-4-5-3-1/h1-2H2InChIKey=LTTGPXZEANXUSL-UHFFFAOYSA-N183.9Ex 183.85(BP est) 16.93(MP est) ----(BP exp) ----(MP exp) S1SSCC1 16.9PredN
S1CSSC16256124.234C2H4S31,2,4-trithiolaneN95S1CSSC1InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2InChIKey=QHGFEUAAQKJXDI-UHFFFAOYSA-N183.9Ex 183.85(BP est) 16.93(MP est) ----(BP exp) ----(MP exp) S1CSSC1 16.9PredY(Schulz and Dickschat 2007, Dickschat 2014, DNP 2017)
S=C(S)SC6257124.234C2H4S3methyl hydrogen carbonotrithioateN95S=C(S)SCInChI=1S/C2H4S3/c1-5-2(3)4/h1H3,(H,3,4)InChIKey=IXAOZLQUOVRCEO-UHFFFAOYSA-N200.1Ex 200.11(BP est) -4.04(MP est) ----(BP exp) ----(MP exp) S=C(S)SC -4PredN
O=P(C#CCl)O6259124.46C2H2ClO2P(chloroethynyl)phosphinic acidN86O=P(C#CCl)OInChI=1S/C2H2ClO2P/c3-1-2-6(4)5/h6H,(H,4,5)InChIKey=SZUMGWVULDQWBL-UHFFFAOYSA-N227.4Ex 227.36(BP est) 37.73(MP est) ----(BP exp) ----(MP exp) O=P(C#CCl)O 37.7PredN
PC(C#C)(Cl)F6261124.479C3H3ClFP(1-chloro-1-fluoroprop-2-yn-1-yl)phosphaneN96PC(C#C)(Cl)FInChI=1S/C3H3ClFP/c1-2-3(4,5)6/h1H,6H2InChIKey=JKHVPWGMTVHPNW-UHFFFAOYSA-N85.7Ex 85.70(BP est) -50.97(MP est) ----(BP exp) ----(MP exp) PC(C#C)(Cl)F -51PredN
PC(Cl)C#CF6262124.479C3H3ClFP(1-chloro-3-fluoroprop-2-yn-1-yl)phosphaneN96PC(Cl)C#CFInChI=1S/C3H3ClFP/c4-3(6)1-2-5/h3H,6H2InChIKey=HZIYEXHJBFVVAQ-UHFFFAOYSA-N117.2Ex 117.19(BP est) -20.92(MP est) ----(BP exp) ----(MP exp) PC(Cl)C#CF -20.9PredN
PC(F)C#CCl6263124.479C3H3ClFP(3-chloro-1-fluoroprop-2-yn-1-yl)phosphaneN96PC(F)C#CClInChI=1S/C3H3ClFP/c4-2-1-3(5)6/h3H,6H2InChIKey=OGKHMVDNHXTLOC-UHFFFAOYSA-N102.2Ex 102.22(BP est) -25.29(MP est) ----(BP exp) ----(MP exp) PC(F)C#CCl -25.3PredN
FCPC#CCl6264124.479C3H3ClFP(chloroethynyl)(fluoromethyl)phosphaneN96FCPC#CClInChI=1S/C3H3ClFP/c4-1-2-6-3-5/h6H,3H2InChIKey=RJAPPMIYEAQDBK-UHFFFAOYSA-N96.1Ex 96.05(BP est) -27.78(MP est) ----(BP exp) ----(MP exp) FCPC#CCl -27.8PredN
ClC(PC#C)F6265124.479C3H3ClFP(chlorofluoromethyl)(ethynyl)phosphaneN96ClC(PC#C)FInChI=1S/C3H3ClFP/c1-2-6-3(4)5/h1,3,6HInChIKey=HMYLSDFXKSXKFY-UHFFFAOYSA-N87.7Ex 87.70(BP est) -67.28(MP est) ----(BP exp) ----(MP exp) ClC(PC#C)F -67.3PredN
ClCPC#CF6266124.479C3H3ClFP(chloromethyl)(fluoroethynyl)phosphaneN96ClCPC#CFInChI=1S/C3H3ClFP/c4-3-6-2-1-5/h6H,3H2InChIKey=GFUTWUNMEGAWMF-UHFFFAOYSA-N123.9Ex 123.92(BP est) -19.64(MP est) ----(BP exp) ----(MP exp) ClCPC#CF -19.6PredN
ClC1(F)C=CP16267124.479C3H3ClFP2-chloro-2-fluoro-1,2-dihydrophospheteN96ClC1(F)C=CP1InChI=1S/C3H3ClFP/c4-3(5)1-2-6-3/h1-2,6HInChIKey=JUJKLZUCVKXTTJ-UHFFFAOYSA-N74.9Ex 74.88(BP est) -65.71(MP est) ----(BP exp) ----(MP exp) ClC1(F)C=CP1 -65.7PredN
ClC1C(F)=CP16268124.479C3H3ClFP2-chloro-3-fluoro-1,2-dihydrophospheteN96ClC1C(F)=CP1InChI=1S/C3H3ClFP/c4-3-2(5)1-6-3/h1,3,6HInChIKey=CHPWGHLQXMFRBA-UHFFFAOYSA-N99.0Ex 99.04(BP est) -64.34(MP est) ----(BP exp) ----(MP exp) ClC1C(F)=CP1 -64.3PredN
ClC1C=C(F)P16269124.479C3H3ClFP2-chloro-4-fluoro-1,2-dihydrophospheteN96ClC1C=C(F)P1InChI=1S/C3H3ClFP/c4-2-1-3(5)6-2/h1-2,6HInChIKey=GBWMHGRJNVQCFZ-UHFFFAOYSA-N99.0Ex 99.04(BP est) -64.34(MP est) ----(BP exp) ----(MP exp) ClC1C=C(F)P1 -64.3PredN
FC1C(Cl)=CP16270124.479C3H3ClFP3-chloro-2-fluoro-1,2-dihydrophospheteN96FC1C(Cl)=CP1InChI=1S/C3H3ClFP/c4-2-1-6-3(2)5/h1,3,6HInChIKey=OEDWBCBPPVMPRD-UHFFFAOYSA-N83.6Ex 83.63(BP est) -68.84(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)=CP1 -68.8PredN
FC1=C(CP1)Cl6271124.479C3H3ClFP3-chloro-4-fluoro-1,2-dihydrophospheteN96FC1=C(CP1)ClInChI=1S/C3H3ClFP/c4-2-1-6-3(2)5/h6H,1H2InChIKey=DJGUXOPJUPBOOC-UHFFFAOYSA-N88.6Ex 88.64(BP est) -59.00(MP est) ----(BP exp) ----(MP exp) FC1=C(CP1)Cl -59PredN
FC1C=C(Cl)P16272124.479C3H3ClFP4-chloro-2-fluoro-1,2-dihydrophospheteN96FC1C=C(Cl)P1InChI=1S/C3H3ClFP/c4-2-1-3(5)6-2/h1,3,6HInChIKey=DYNSTMFAVUDFRJ-UHFFFAOYSA-N83.6Ex 83.63(BP est) -68.84(MP est) ----(BP exp) ----(MP exp) FC1C=C(Cl)P1 -68.8PredN
ClC1=C(CP1)F6273124.479C3H3ClFP4-chloro-3-fluoro-1,2-dihydrophospheteN96ClC1=C(CP1)FInChI=1S/C3H3ClFP/c4-3-2(5)1-6-3/h6H,1H2InChIKey=GLLYZCIRKIEDHL-UHFFFAOYSA-N88.6Ex 88.64(BP est) -59.00(MP est) ----(BP exp) ----(MP exp) ClC1=C(CP1)F -59PredN
O=PC(Cl)CC6275124.504C3H6ClOP(1-chloropropyl)(oxo)phosphaneN126O=PC(Cl)CCInChI=1S/C3H6ClOP/c1-2-3(4)6-5/h3H,2H2,1H3InChIKey=LYCJUIFEWOIVLM-UHFFFAOYSA-N143.8Ex 143.80(BP est) -49.00(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CC -49PredN
ClC(POC)=C6277124.504C3H6ClOP(1-chlorovinyl)(methoxy)phosphaneN126ClC(POC)=CInChI=1S/C3H6ClOP/c1-3(4)6-5-2/h6H,1H2,2H3InChIKey=BLXWFDNZJRBZKV-UHFFFAOYSA-N92.9Ex 92.88(BP est) -78.80(MP est) ----(BP exp) ----(MP exp) ClC(POC)=C -78.8PredN
O=P(C)C(Cl)=C6278124.504C3H6ClOP(1-chlorovinyl)(methyl)phosphine oxideN126O=P(C)C(Cl)=CInChI=1S/C3H6ClOP/c1-3(4)6(2)5/h6H,1H2,2H3InChIKey=KWEDRANPVYJMTF-UHFFFAOYSA-N133.2Ex 133.20(BP est) -60.64(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Cl)=C -60.6PredN
O=PCC(Cl)C6280124.504C3H6ClOP(2-chloropropyl)(oxo)phosphaneN126O=PCC(Cl)CInChI=1S/C3H6ClOP/c1-3(4)2-6-5/h3H,2H2,1H3InChIKey=QLPVCSNRQPQGNP-UHFFFAOYSA-N143.8Ex 143.80(BP est) -49.00(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)C -49PredN
ClC=CPOC6282124.504C3H6ClOP(2-chlorovinyl)(methoxy)phosphaneN126ClC=CPOCInChI=1S/C3H6ClOP/c1-5-6-3-2-4/h2-3,6H,1H3InChIKey=KJAQNJHKNLICSX-UHFFFAOYSA-N108.6Ex 108.61(BP est) -68.88(MP est) ----(BP exp) ----(MP exp) ClC=CPOC -68.9PredN
O=P(C)C=CCl6283124.504C3H6ClOP(2-chlorovinyl)(methyl)phosphine oxideN126O=P(C)C=CClInChI=1S/C3H6ClOP/c1-6(5)3-2-4/h2-3,6H,1H3InChIKey=NZLHDXONDXBHOV-UHFFFAOYSA-N147.9Ex 147.92(BP est) -51.02(MP est) ----(BP exp) ----(MP exp) O=P(C)C=CCl -51PredN
O=PCCCCl6285124.504C3H6ClOP(3-chloropropyl)(oxo)phosphaneN126O=PCCCClInChI=1S/C3H6ClOP/c4-2-1-3-6-5/h1-3H2InChIKey=CALUTRWHSGZVJY-UHFFFAOYSA-N168.8Ex 168.83(BP est) -34.19(MP est) ----(BP exp) ----(MP exp) O=PCCCCl -34.2PredN
O=P(CCl)C=C6287124.504C3H6ClOP(chloromethyl)(vinyl)phosphine oxideN126O=P(CCl)C=CInChI=1S/C3H6ClOP/c1-2-6(5)3-4/h2,6H,1,3H2InChIKey=FABHMXAHBRFJBR-UHFFFAOYSA-N165.3Ex 165.26(BP est) -44.30(MP est) ----(BP exp) ----(MP exp) O=P(CCl)C=C -44.3PredN
O=P1(CCl)CC16288124.504C3H6ClOP1-(chloromethyl)phosphirane 1-oxideN126O=P1(CCl)CC1InChI=1S/C3H6ClOP/c4-3-6(5)1-2-6/h1-3H2InChIKey=JLBZKMFJWXWFAX-UHFFFAOYSA-N172.7Ex 172.72(BP est) -36.58(MP est) ----(BP exp) ----(MP exp) O=P1(CCl)CC1 -36.6PredN
ClC1CP1OC6289124.504C3H6ClOP2-chloro-1-methoxyphosphiraneN126ClC1CP1OCInChI=1S/C3H6ClOP/c1-5-6-2-3(6)4/h3H,2H2,1H3InChIKey=UNUJGALTMDLFFD-UHFFFAOYSA-N119.0Ex 119.03(BP est) -53.26(MP est) ----(BP exp) ----(MP exp) ClC1CP1OC -53.3PredN
O=P1(C)C(Cl)C16290124.504C3H6ClOP2-chloro-1-methylphosphirane 1-oxideN126O=P1(C)C(Cl)C1InChI=1S/C3H6ClOP/c1-6(5)2-3(6)4/h3H,2H2,1H3InChIKey=WVNUXKMCJVENKH-UHFFFAOYSA-N154.8Ex 154.76(BP est) -43.94(MP est) ----(BP exp) ----(MP exp) O=P1(C)C(Cl)C1 -43.9PredN
O=P1C(Cl)CC16292124.504C3H6ClOP2-chlorophosphetane 1-oxideN126O=P1C(Cl)CC1InChI=1S/C3H6ClOP/c4-3-1-2-6(3)5/h3,6H,1-2H2InChIKey=FTLFWVVRWIVQSE-UHFFFAOYSA-N158.8Ex 158.77(BP est) -36.34(MP est) ----(BP exp) ----(MP exp) O=P1C(Cl)CC1 -36.3PredN
O=P1CC(Cl)C16294124.504C3H6ClOP3-chlorophosphetane 1-oxideN126O=P1CC(Cl)C1InChI=1S/C3H6ClOP/c4-3-1-6(5)2-3/h3,6H,1-2H2InChIKey=FSZMHIMPLWYIGM-UHFFFAOYSA-N158.8Ex 158.77(BP est) -36.34(MP est) ----(BP exp) ----(MP exp) O=P1CC(Cl)C1 -36.3PredN
CC(CCl)(P)C6295124.548C4H10ClP(1-chloro-2-methylpropan-2-yl)phosphaneN166CC(CCl)(P)CInChI=1S/C4H10ClP/c1-4(2,6)3-5/h3,6H2,1-2H3InChIKey=WXBJFVZRBMNQKV-UHFFFAOYSA-N124.8Ex 124.79(BP est) -57.70(MP est) ----(BP exp) ----(MP exp) CC(CCl)(P)C -57.7PredN
CC(C(P)Cl)C6296124.548C4H10ClP(1-chloro-2-methylpropyl)phosphaneN166CC(C(P)Cl)CInChI=1S/C4H10ClP/c1-3(2)4(5)6/h3-4H,6H2,1-2H3InChIKey=PZIUAXXPHPOWTI-UHFFFAOYSA-N107.2Ex 107.18(BP est) -79.06(MP est) ----(BP exp) ----(MP exp) CC(C(P)Cl)C -79.1PredN
ClCC(P)CC6297124.548C4H10ClP(1-chlorobutan-2-yl)phosphaneN166ClCC(P)CCInChI=1S/C4H10ClP/c1-2-4(6)3-5/h4H,2-3,6H2,1H3InChIKey=JQKXQMFDPPDLCL-UHFFFAOYSA-N133.9Ex 133.87(BP est) -63.76(MP est) ----(BP exp) ----(MP exp) ClCC(P)CC -63.8PredN
ClC(P)CCC6298124.548C4H10ClP(1-chlorobutyl)phosphaneN166ClC(P)CCCInChI=1S/C4H10ClP/c1-2-3-4(5)6/h4H,2-3,6H2,1H3InChIKey=IIMSYZYJMSAZCU-UHFFFAOYSA-N121.3Ex 121.33(BP est) -67.42(MP est) ----(BP exp) ----(MP exp) ClC(P)CCC -67.4PredN
CCPC(C)Cl6299124.548C4H10ClP(1-chloroethyl)(ethyl)phosphaneN166CCPC(C)ClInChI=1S/C4H10ClP/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=QQWDWDWGJCPOIV-UHFFFAOYSA-N101.1Ex 101.06(BP est) -81.53(MP est) ----(BP exp) ----(MP exp) CCPC(C)Cl -81.5PredN
CP(C(C)Cl)C6300124.548C4H10ClP(1-chloroethyl)dimethylphosphaneN166CP(C(C)Cl)CInChI=1S/C4H10ClP/c1-4(5)6(2)3/h4H,1-3H3InChIKey=QQNNAPXJVSXCMY-UHFFFAOYSA-N102.0Ex 102.02(BP est) -81.93(MP est) ----(BP exp) ----(MP exp) CP(C(C)Cl)C -81.9PredN
CPC(CCl)C6301124.548C4H10ClP(1-chloropropan-2-yl)(methyl)phosphaneN166CPC(CCl)CInChI=1S/C4H10ClP/c1-4(3-5)6-2/h4,6H,3H2,1-2H3InChIKey=HFALBRJDIOLNPW-UHFFFAOYSA-N114.0Ex 114.02(BP est) -77.74(MP est) ----(BP exp) ----(MP exp) CPC(CCl)C -77.7PredN
CPC(CC)Cl6302124.548C4H10ClP(1-chloropropyl)(methyl)phosphaneN166CPC(CC)ClInChI=1S/C4H10ClP/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=SWYOCARRLPOFAG-UHFFFAOYSA-N101.1Ex 101.06(BP est) -81.53(MP est) ----(BP exp) ----(MP exp) CPC(CC)Cl -81.5PredN
ClC(C)(CP)C6303124.548C4H10ClP(2-chloro-2-methylpropyl)phosphaneN166ClC(C)(CP)CInChI=1S/C4H10ClP/c1-4(2,5)3-6/h3,6H2,1-2H3InChIKey=OKNVYZCCHGEPRU-UHFFFAOYSA-N99.1Ex 99.10(BP est) -65.20(MP est) ----(BP exp) ----(MP exp) ClC(C)(CP)C -65.2PredN
ClC(CC)(P)C6304124.548C4H10ClP(2-chlorobutan-2-yl)phosphaneN166ClC(CC)(P)CInChI=1S/C4H10ClP/c1-3-4(2,5)6/h3,6H2,1-2H3InChIKey=OTJVPNSKKVPSNK-UHFFFAOYSA-N99.1Ex 99.10(BP est) -65.20(MP est) ----(BP exp) ----(MP exp) ClC(CC)(P)C -65.2PredN
ClC(CC)CP6305124.548C4H10ClP(2-chlorobutyl)phosphaneN166ClC(CC)CPInChI=1S/C4H10ClP/c1-2-4(5)3-6/h4H,2-3,6H2,1H3InChIKey=RRZKWDFHVSYQEW-UHFFFAOYSA-N121.3Ex 121.33(BP est) -67.42(MP est) ----(BP exp) ----(MP exp) ClC(CC)CP -67.4PredN
CCPCCCl6306124.548C4H10ClP(2-chloroethyl)(ethyl)phosphaneN166CCPCCClInChI=1S/C4H10ClP/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=OXHHHQNXYWJVGA-UHFFFAOYSA-N128.0Ex 128.01(BP est) -66.16(MP est) ----(BP exp) ----(MP exp) CCPCCCl -66.2PredN
CP(CCCl)C6307124.548C4H10ClP(2-chloroethyl)dimethylphosphaneN166CP(CCCl)CInChI=1S/C4H10ClP/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=CFBBSPMKPFYJKY-UHFFFAOYSA-N128.9Ex 128.93(BP est) -66.57(MP est) ----(BP exp) ----(MP exp) CP(CCCl)C -66.6PredN
CPC(C)(C)Cl6308124.548C4H10ClP(2-chloropropan-2-yl)(methyl)phosphaneN166CPC(C)(C)ClInChI=1S/C4H10ClP/c1-4(2,5)6-3/h6H,1-3H3InChIKey=PSKDNTWASMWLTK-UHFFFAOYSA-N78.1Ex 78.10(BP est) -79.52(MP est) ----(BP exp) ----(MP exp) CPC(C)(C)Cl -79.5PredN
CPCC(C)Cl6309124.548C4H10ClP(2-chloropropyl)(methyl)phosphaneN166CPCC(C)ClInChI=1S/C4H10ClP/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=GFRTXJPSLQWZFM-UHFFFAOYSA-N101.1Ex 101.06(BP est) -81.53(MP est) ----(BP exp) ----(MP exp) CPCC(C)Cl -81.5PredN
CC(CP)CCl6310124.548C4H10ClP(3-chloro-2-methylpropyl)phosphaneN166CC(CP)CClInChI=1S/C4H10ClP/c1-4(2-5)3-6/h4H,2-3,6H2,1H3InChIKey=VPFITJPAEHHIKX-UHFFFAOYSA-N133.9Ex 133.87(BP est) -63.76(MP est) ----(BP exp) ----(MP exp) CC(CP)CCl -63.8PredN
CC(P)C(C)Cl6311124.548C4H10ClP(3-chlorobutan-2-yl)phosphaneN166CC(P)C(C)ClInChI=1S/C4H10ClP/c1-3(5)4(2)6/h3-4H,6H2,1-2H3InChIKey=RISKIMFPBLUBBI-UHFFFAOYSA-N107.2Ex 107.18(BP est) -79.06(MP est) ----(BP exp) ----(MP exp) CC(P)C(C)Cl -79.1PredN
ClC(C)CCP6312124.548C4H10ClP(3-chlorobutyl)phosphaneN166ClC(C)CCPInChI=1S/C4H10ClP/c1-4(5)2-3-6/h4H,2-3,6H2,1H3InChIKey=MCSXBIUEJBUVAM-UHFFFAOYSA-N121.3Ex 121.33(BP est) -67.42(MP est) ----(BP exp) ----(MP exp) ClC(C)CCP -67.4PredN
CPCCCCl6313124.548C4H10ClP(3-chloropropyl)(methyl)phosphaneN166CPCCCClInChI=1S/C4H10ClP/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=GCPTZTSQQCRBCN-UHFFFAOYSA-N128.0Ex 128.01(BP est) -66.16(MP est) ----(BP exp) ----(MP exp) CPCCCCl -66.2PredN
CC(P)CCCl6314124.548C4H10ClP(4-chlorobutan-2-yl)phosphaneN166CC(P)CCClInChI=1S/C4H10ClP/c1-4(6)2-3-5/h4H,2-3,6H2,1H3InChIKey=RGKUNSXQWHDNCU-UHFFFAOYSA-N133.9Ex 133.87(BP est) -63.76(MP est) ----(BP exp) ----(MP exp) CC(P)CCCl -63.8PredN
ClCCCCP6315124.548C4H10ClP(4-chlorobutyl)phosphaneN166ClCCCCPInChI=1S/C4H10ClP/c5-3-1-2-4-6/h1-4,6H2InChIKey=OPPCGXDVOYIJQR-UHFFFAOYSA-N147.4Ex 147.40(BP est) -52.31(MP est) ----(BP exp) ----(MP exp) ClCCCCP -52.3PredN
CP(CC)CCl6316124.548C4H10ClP(chloromethyl)(ethyl)(methyl)phosphaneN166CP(CC)CClInChI=1S/C4H10ClP/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=PWWIWJYFRUMAKO-UHFFFAOYSA-N128.9Ex 128.93(BP est) -66.57(MP est) ----(BP exp) ----(MP exp) CP(CC)CCl -66.6PredN
ClCPC(C)C6317124.548C4H10ClP(chloromethyl)(isopropyl)phosphaneN166ClCPC(C)CInChI=1S/C4H10ClP/c1-4(2)6-3-5/h4,6H,3H2,1-2H3InChIKey=YZSIGSJHUXAKPC-UHFFFAOYSA-N114.0Ex 114.02(BP est) -77.74(MP est) ----(BP exp) ----(MP exp) ClCPC(C)C -77.7PredN
ClCPCCC6318124.548C4H10ClP(chloromethyl)(propyl)phosphaneN166ClCPCCCInChI=1S/C4H10ClP/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=MMWZJRNEXJXEBE-UHFFFAOYSA-N128.0Ex 128.01(BP est) -66.16(MP est) ----(BP exp) ----(MP exp) ClCPCCC -66.2PredN
SC(Cl)(F)(C#C)6319124.557C3H2ClFS1-chloro-1-fluoroprop-2-yne-1-thiolN86SC(Cl)(F)(C#C)InChI=1S/C3H2ClFS/c1-2-3(4,5)6/h1,6HInChIKey=FMDMXZHVYCTNEV-UHFFFAOYSA-N108.2Ex 108.23(BP est) -41.85(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(C#C) -41.9PredN
SC(Cl)(C#CF)6320124.557C3H2ClFS1-chloro-3-fluoroprop-2-yne-1-thiolN86SC(Cl)(C#CF)InChI=1S/C3H2ClFS/c4-3(6)1-2-5/h3,6HInChIKey=NHGWLHHSZSNZBI-UHFFFAOYSA-N138.6Ex 138.60(BP est) -12.13(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C#CF) -12.1PredN
ClC(F)C1=CS16321124.557C3H2ClFS2-(chlorofluoromethyl)thiireneN86ClC(F)C1=CS1InChI=1S/C3H2ClFS/c4-3(5)2-1-6-2/h1,3HInChIKey=GDTCKNWAGHQNLE-UHFFFAOYSA-N117.3Ex 117.31(BP est) -33.17(MP est) ----(BP exp) ----(MP exp) ClC(F)C1=CS1 -33.2PredN
FC(S1)=C1CCl6322124.557C3H2ClFS2-(chloromethyl)-3-fluorothiireneN86FC(S1)=C1CClInChI=1S/C3H2ClFS/c4-1-2-3(5)6-2/h1H2InChIKey=OUFOIUOLXLKZEZ-UHFFFAOYSA-N141.6Ex 141.64(BP est) -12.31(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1CCl -12.3PredN
ClC(S1)=C1CF6323124.557C3H2ClFS2-chloro-3-(fluoromethyl)thiireneN86ClC(S1)=C1CFInChI=1S/C3H2ClFS/c4-3-2(1-5)6-3/h1H2InChIKey=PQIAUKLYPYVDMC-UHFFFAOYSA-N114.6Ex 114.60(BP est) -20.20(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1CF -20.2PredN
SC(F)(C#CCl)6324124.557C3H2ClFS3-chloro-1-fluoroprop-2-yne-1-thiolN86SC(F)(C#CCl)InChI=1S/C3H2ClFS/c4-2-1-3(5)6/h3,6HInChIKey=XKSXUMZVXFOARM-UHFFFAOYSA-N124.2Ex 124.16(BP est) -16.34(MP est) ----(BP exp) ----(MP exp) SC(F)(C#CCl) -16.3PredN
NC(NCCl)=S6325124.586C2H5ClN2S1-(chloromethyl)thioureaN116NC(NCCl)=SInChI=1S/C2H5ClN2S/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=VSOAOVWLGIDGBF-UHFFFAOYSA-N217.0Ex 217.03(BP est) 36.61(MP est) ----(BP exp) ----(MP exp) NC(NCCl)=S 36.6PredN
F[Si]1(CC1)CCl6326124.614C3H6ClFSi1-(chloromethyl)-1-fluorosiliraneN126F[Si]1(CC1)CClInChI=1S/C3H6ClFSi/c4-3-6(5)1-2-6/h1-3H2InChIKey=LGXWLDIZCHSFAU-UHFFFAOYSA-N59.9Ex 59.86(BP est) -41.62(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1)CCl -41.6PredN
F[Si]1(CC1Cl)C6327124.614C3H6ClFSi2-chloro-1-fluoro-1-methylsiliraneN126F[Si]1(CC1Cl)CInChI=1S/C3H6ClFSi/c1-6(5)2-3(6)4/h3H,2H2,1H3InChIKey=ZAXMXAXDNNZERI-UHFFFAOYSA-N38.2Ex 38.24(BP est) -50.05(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1Cl)C -50.1PredN
CCSC(C)Cl6328124.626C4H9ClS(1-chloroethyl)(ethyl)sulfaneN156CCSC(C)ClInChI=1S/C4H9ClS/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=JDYHPYHZVDTQLL-UHFFFAOYSA-N129.0Ex 129.02(BP est) -63.66(MP est) ----(BP exp) ----(MP exp) CCSC(C)Cl -63.7PredN
CSC(CCl)C6329124.626C4H9ClS(1-chloropropan-2-yl)(methyl)sulfaneN156CSC(CCl)CInChI=1S/C4H9ClS/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=WNELQXGUJBTCJO-UHFFFAOYSA-N141.4Ex 141.39(BP est) -60.05(MP est) ----(BP exp) ----(MP exp) CSC(CCl)C -60.1PredN
CSC(CC)Cl6330124.626C4H9ClS(1-chloropropyl)(methyl)sulfaneN156CSC(CC)ClInChI=1S/C4H9ClS/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=TXGRWBGLMXIGPG-UHFFFAOYSA-N129.0Ex 129.02(BP est) -63.66(MP est) ----(BP exp) ----(MP exp) CSC(CC)Cl -63.7PredN
CCSCCCl6331124.626C4H9ClS(2-chloroethyl)(ethyl)sulfaneN156CCSCCClInChI=1S/C4H9ClS/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=GBNVXYXIRHSYEG-UHFFFAOYSA-N155.2Ex 154.73(BP est) -48.66(MP est) 156.50(BP exp) ----(MP exp) CCSCCCl -48.7PredN
CSC(C)(C)Cl6332124.626C4H9ClS(2-chloropropan-2-yl)(methyl)sulfaneN156CSC(C)(C)ClInChI=1S/C4H9ClS/c1-4(2,5)6-3/h1-3H3InChIKey=RRQBQVCXMVHKFK-UHFFFAOYSA-N107.1Ex 107.07(BP est) -61.36(MP est) ----(BP exp) ----(MP exp) CSC(C)(C)Cl -61.4PredN
CSCC(C)Cl6333124.626C4H9ClS(2-chloropropyl)(methyl)sulfaneN156CSCC(C)ClInChI=1S/C4H9ClS/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=OZMISUZYCLCBDU-UHFFFAOYSA-N129.0Ex 129.02(BP est) -63.66(MP est) ----(BP exp) ----(MP exp) CSCC(C)Cl -63.7PredN
CSCCCCl6334124.626C4H9ClS(3-chloropropyl)(methyl)sulfaneN156CSCCCClInChI=1S/C4H9ClS/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=RAVGOEYQXCTKGT-UHFFFAOYSA-N154.7Ex 154.73(BP est) -48.66(MP est) ----(BP exp) ----(MP exp) CSCCCCl -48.7PredN
ClCSC(C)C6335124.626C4H9ClS(chloromethyl)(isopropyl)sulfaneN156ClCSC(C)CInChI=1S/C4H9ClS/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=GTGKNQUHLOGQGH-UHFFFAOYSA-N138.5Ex 141.39(BP est) -60.05(MP est) ----(BP exp) ----(MP exp) ClCSC(C)C -60.1PredN
ClCSCCC6336124.626C4H9ClS(chloromethyl)(propyl)sulfaneN156ClCSCCCInChI=1S/C4H9ClS/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=IUPCBPIYSNBNMR-UHFFFAOYSA-N149.5Ex 154.73(BP est) -48.66(MP est) ----(BP exp) ----(MP exp) ClCSCCC -48.7PredN
SC(C(C)C)Cl6337124.626C4H9ClS1-chloro-2-methylpropane-1-thiolN156SC(C(C)C)ClInChI=1S/C4H9ClS/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=YDLFASXZJOLWKH-UHFFFAOYSA-N129.0Ex 128.95(BP est) -70.15(MP est) ----(BP exp) ----(MP exp) SC(C(C)C)Cl -70.2PredN
SC(C)(CCl)C6338124.626C4H9ClS1-chloro-2-methylpropane-2-thiolN156SC(C)(CCl)CInChI=1S/C4H9ClS/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=JTGUPPQLDFBBRS-UHFFFAOYSA-N145.9Ex 145.93(BP est) -48.99(MP est) ----(BP exp) ----(MP exp) SC(C)(CCl)C -49PredN
SC(CCC)Cl6339124.626C4H9ClS1-chlorobutane-1-thiolN156SC(CCC)ClInChI=1S/C4H9ClS/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=OCZWFZLAGGQRDL-UHFFFAOYSA-N142.6Ex 142.60(BP est) -58.67(MP est) ----(BP exp) ----(MP exp) SC(CCC)Cl -58.7PredN
SC(CC)CCl6340124.626C4H9ClS1-chlorobutane-2-thiolN156SC(CC)CClInChI=1S/C4H9ClS/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=QXRYSTFZBZQNDU-UHFFFAOYSA-N154.7Ex 154.67(BP est) -55.14(MP est) ----(BP exp) ----(MP exp) SC(CC)CCl -55.1PredN
SCC(C)(C)Cl6341124.626C4H9ClS2-chloro-2-methylpropane-1-thiolN156SCC(C)(C)ClInChI=1S/C4H9ClS/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=NNNXSTIAAPASSN-UHFFFAOYSA-N121.2Ex 121.16(BP est) -56.22(MP est) ----(BP exp) ----(MP exp) SCC(C)(C)Cl -56.2PredN
SCC(CC)Cl6342124.626C4H9ClS2-chlorobutane-1-thiolN156SCC(CC)ClInChI=1S/C4H9ClS/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=UWZRCWGTEPNSJB-UHFFFAOYSA-N142.6Ex 142.60(BP est) -58.67(MP est) ----(BP exp) ----(MP exp) SCC(CC)Cl -58.7PredN
SC(C)(CC)Cl6343124.626C4H9ClS2-chlorobutane-2-thiolN156SC(C)(CC)ClInChI=1S/C4H9ClS/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=LJQJLOMQPXFWTR-UHFFFAOYSA-N121.2Ex 121.16(BP est) -56.22(MP est) ----(BP exp) ----(MP exp) SC(C)(CC)Cl -56.2PredN
SCC(CCl)C6344124.626C4H9ClS3-chloro-2-methylpropane-1-thiolN156SCC(CCl)CInChI=1S/C4H9ClS/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=BVUDMJXNWXLNSN-UHFFFAOYSA-N154.7Ex 154.67(BP est) -55.14(MP est) ----(BP exp) ----(MP exp) SCC(CCl)C -55.1PredN
SCCC(C)Cl6345124.626C4H9ClS3-chlorobutane-1-thiolN156SCCC(C)ClInChI=1S/C4H9ClS/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=ARRLUDSVLOCJHX-UHFFFAOYSA-N142.6Ex 142.60(BP est) -58.67(MP est) ----(BP exp) ----(MP exp) SCCC(C)Cl -58.7PredN
SC(C(C)Cl)C6346124.626C4H9ClS3-chlorobutane-2-thiolN156SC(C(C)Cl)CInChI=1S/C4H9ClS/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=RDGFNMCPRYSKTF-UHFFFAOYSA-N129.0Ex 128.95(BP est) -70.15(MP est) ----(BP exp) ----(MP exp) SC(C(C)Cl)C -70.2PredN
SC(CCCCl)6347124.626C4H9ClS4-chlorobutane-1-thiolN156SC(CCCCl)InChI=1S/C4H9ClS/c5-3-1-2-4-6/h6H,1-4H2InChIKey=GOPBXSCNRUABTG-UHFFFAOYSA-N167.7Ex 167.69(BP est) -43.84(MP est) ----(BP exp) ----(MP exp) SC(CCCCl) -43.8PredN
SC(CCCl)C6348124.626C4H9ClS4-chlorobutane-2-thiolN156SC(CCCl)CInChI=1S/C4H9ClS/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=BOJDKUAGPMFMLS-UHFFFAOYSA-N154.7Ex 154.67(BP est) -55.14(MP est) ----(BP exp) ----(MP exp) SC(CCCl)C -55.1PredN
C[Si](CCl)(O)C6349124.639C3H9ClOSi(chloromethyl)dimethylsilanolN156C[Si](CCl)(O)CInChI=1S/C3H9ClOSi/c1-6(2,5)3-4/h5H,3H2,1-2H3InChIKey=WBDLXMYVALFRFM-UHFFFAOYSA-N167.5Ex 167.50(BP est) -33.42(MP est) ----(BP exp) ----(MP exp) C[Si](CCl)(O)C -33.4PredN
C=C(Br)(F)6352124.94C2H2BrF1-bromo-1-fluoroetheneN64C=C(Br)(F)InChI=1S/C2H2BrF/c1-2(3)4/h1H2InChIKey=LNKSRHHQKNUTLI-UHFFFAOYSA-N45.8Ex 45.80(BP est) -101.55(MP est) ----(BP exp) ----(MP exp) C=C(Br)(F) -101.6PredN
C(Br)=C(F)6353124.94C2H2BrF1-bromo-2-fluoroetheneN64C(Br)=C(F)InChI=1S/C2H2BrF/c3-1-2-4/h1-2HInChIKey=JNODEIRSLUOUMY-UHFFFAOYSA-N62.7Ex 62.65(BP est) -91.32(MP est) ----(BP exp) ----(MP exp) C(Br)=C(F) -91.3PredN
OC(Cl)(C#C)Cl6354124.948C3H2Cl2O1,1-dichloroprop-2-yn-1-olN86OC(Cl)(C#C)ClInChI=1S/C3H2Cl2O/c1-2-3(4,5)6/h1,6HInChIKey=HQNPKEADVSRHRP-UHFFFAOYSA-N131.0Ex 131.01(BP est) -8.35(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C#C)Cl -8.4PredN
OC(Cl)(C#CCl)6355124.948C3H2Cl2O1,3-dichloroprop-2-yn-1-olN86OC(Cl)(C#CCl)InChI=1S/C3H2Cl2O/c4-2-1-3(5)6/h3,6HInChIKey=OYUGQIGSLZEIDD-UHFFFAOYSA-N168.3Ex 168.34(BP est) 23.40(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C#CCl) 23.4PredN
ClC(Cl)C1=CO16356124.948C3H2Cl2O2-(dichloromethyl)oxireneN86ClC(Cl)C1=CO1InChI=1S/C3H2Cl2O/c4-3(5)2-1-6-2/h1,3HInChIKey=WGHQXMGIBLDVGN-UHFFFAOYSA-N130.0Ex 129.97(BP est) -40.25(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1=CO1 -40.3PredN
O=CC(Cl)=CCl6357124.948C3H2Cl2O2,3-dichloroacrylaldehydeN86O=CC(Cl)=CClInChI=1S/C3H2Cl2O/c4-1-3(5)2-6/h1-2HInChIKey=GRJXQFMIWNSCPF-UHFFFAOYSA-N133.0Ex 132.98(BP est) -51.40(MP est) ----(BP exp) ----(MP exp) O=CC(Cl)=CCl -51.4PredN
ClC(O1)=C1CCl6358124.948C3H2Cl2O2-chloro-3-(chloromethyl)oxireneN86ClC(O1)=C1CClInChI=1S/C3H2Cl2O/c4-1-2-3(5)6-2/h1H2InChIKey=UHSPVELLNZZHHE-UHFFFAOYSA-N139.7Ex 139.72(BP est) -23.64(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1CCl -23.6PredN
O=CC=C(Cl)Cl6359124.948C3H2Cl2O3,3-dichloroacrylaldehydeN86O=CC=C(Cl)ClInChI=1S/C3H2Cl2O/c4-3(5)1-2-6/h1-2HInChIKey=YCOYDSQEOWWYDT-UHFFFAOYSA-N133.0Ex 132.98(BP est) -51.40(MP est) ----(BP exp) ----(MP exp) O=CC=C(Cl)Cl -51.4PredN
OC(C)Br6360124.965C2H5BrO1-bromoethan-1-olN94OC(C)BrInChI=1S/C2H5BrO/c1-2(3)4/h2,4H,1H3InChIKey=ZLGXEEAGBLFFTB-UHFFFAOYSA-N121.3Ex 121.29(BP est) -49.04(MP est) ----(BP exp) ----(MP exp) OC(C)Br -49PredN
OCCBr6361124.965C2H5BrO2-bromoethan-1-olN94OCCBrInChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2InChIKey=LDLCZOVUSADOIV-UHFFFAOYSA-N149.4Ex 142.39(BP est) -35.38(MP est) 150.00(BP exp) ----(MP exp) OCCBr -35.4PredY(Moore 1977)
COCBr6362124.965C2H5BrObromo(methoxy)methaneN94COCBrInChI=1S/C2H5BrO/c1-4-2-3/h2H2,1H3InChIKey=JAMFGQBENKSWOF-UHFFFAOYSA-N87.0Ex 78.54(BP est) -73.32(MP est) 87.00(BP exp) ----(MP exp) COCBr -73.3PredN
NNCBr6363124.969CH5BrN2(bromomethyl)hydrazineN94NNCBrInChI=1S/CH5BrN2/c2-1-4-3/h4H,1,3H2InChIKey=NAGRXHYNXMYTPC-UHFFFAOYSA-N137.4Ex 137.36(BP est) -4.93(MP est) ----(BP exp) ----(MP exp) NNCBr -4.9PredN
ClC(Cl)C1CC16364124.992C4H6Cl2(dichloromethyl)cyclopropaneN126ClC(Cl)C1CC1InChI=1S/C4H6Cl2/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=JGMGGDPITUOETA-UHFFFAOYSA-N116.0Ex 115.96(BP est) -60.75(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1CC1 -60.8PredN
CC1CC1(Cl)Cl6365124.992C4H6Cl21,1-dichloro-2-methylcyclopropaneN126CC1CC1(Cl)ClInChI=1S/C4H6Cl2/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=XHFFDICIGCHDCR-UHFFFAOYSA-N84.7Ex 84.68(BP est) -52.55(MP est) ----(BP exp) ----(MP exp) CC1CC1(Cl)Cl -52.6PredN
ClC(Cl)=C(C)C6366124.992C4H6Cl21,1-dichloro-2-methylprop-1-eneN126ClC(Cl)=C(C)CInChI=1S/C4H6Cl2/c1-3(2)4(5)6/h1-2H3InChIKey=GSQMUEGXIDQJES-UHFFFAOYSA-N108.5Ex 90.36(BP est) -86.19(MP est) ----(BP exp) ----(MP exp) ClC(Cl)=C(C)C -86.2PredN
CCC=C(Cl)Cl6367124.992C4H6Cl21,1-dichlorobut-1-eneN126CCC=C(Cl)ClInChI=1S/C4H6Cl2/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=UAZUEJTXWAXSMA-UHFFFAOYSA-N115.6Ex 96.98(BP est) -77.28(MP est) ----(BP exp) ----(MP exp) CCC=C(Cl)Cl -77.3PredN
CC=CC(Cl)Cl6368124.992C4H6Cl21,1-dichlorobut-2-eneN126CC=CC(Cl)ClInChI=1S/C4H6Cl2/c1-2-3-4(5)6/h2-4H,1H3InChIKey=OLMLFDHMSIYSRF-UHFFFAOYSA-N126.0Ex 119.18(BP est) -71.32(MP est) ----(BP exp) ----(MP exp) CC=CC(Cl)Cl -71.3PredN
ClC1(Cl)CCC16369124.992C4H6Cl21,1-dichlorocyclobutaneN126ClC1(Cl)CCC1InChI=1S/C4H6Cl2/c5-4(6)2-1-3-4/h1-3H2InChIKey=HJHXDUJKTZWJJJ-UHFFFAOYSA-N94.0Ex 94.00(BP est) -49.47(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CCC1 -49.5PredN
ClC1(CC1Cl)C6370124.992C4H6Cl21,2-dichloro-1-methylcyclopropaneN126ClC1(CC1Cl)CInChI=1S/C4H6Cl2/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=UDZFDWYPEUIKOP-UHFFFAOYSA-N97.9Ex 97.93(BP est) -48.68(MP est) ----(BP exp) ----(MP exp) ClC1(CC1Cl)C -48.7PredN
CC1C(Cl)C1Cl6371124.992C4H6Cl21,2-dichloro-3-methylcyclopropaneN126CC1C(Cl)C1ClInChI=1S/C4H6Cl2/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=PXWDCHAGBREOQW-UHFFFAOYSA-N116.5Ex 116.50(BP est) -57.33(MP est) ----(BP exp) ----(MP exp) CC1C(Cl)C1Cl -57.3PredN
CCC(Cl)=CCl6372124.992C4H6Cl21,2-dichlorobut-1-eneN126CCC(Cl)=CClInChI=1S/C4H6Cl2/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=ZZCLHOQBSJBENC-UHFFFAOYSA-N97.0Ex 96.98(BP est) -77.28(MP est) ----(BP exp) ----(MP exp) CCC(Cl)=CCl -77.3PredN
CC=C(CCl)Cl6373124.992C4H6Cl21,2-dichlorobut-2-eneN126CC=C(CCl)ClInChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=VOGHDWQJCXXBMH-UHFFFAOYSA-N123.8Ex 124.81(BP est) -69.15(MP est) 130.50(BP exp) ----(MP exp) CC=C(CCl)Cl -69.2PredN
ClC1CCC1Cl6374124.992C4H6Cl21,2-dichlorocyclobutaneN126ClC1CCC1ClInChI=1S/C4H6Cl2/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=MPWHMPULOPKVDQ-UHFFFAOYSA-N125.4Ex 125.36(BP est) -54.38(MP est) ----(BP exp) ----(MP exp) ClC1CCC1Cl -54.4PredN
ClC=C(CCl)C6375124.992C4H6Cl21,3-dichloro-2-methylprop-1-eneN126ClC=C(CCl)CInChI=1S/C4H6Cl2/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=ZWZWQSKCVXIXQJ-UHFFFAOYSA-N132.0Ex 124.81(BP est) -69.15(MP est) ----(BP exp) ----(MP exp) ClC=C(CCl)C -69.2PredN
CC(C=CCl)Cl6376124.992C4H6Cl21,3-dichlorobut-1-eneN126CC(C=CCl)ClInChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2-4H,1H3InChIKey=GVNNGJMKAFLSHZ-UHFFFAOYSA-N125.0Ex 104.26(BP est) -75.67(MP est) ----(BP exp) ----(MP exp) CC(C=CCl)Cl -75.7PredN
ClCC=C(C)Cl6377124.992C4H6Cl21,3-dichlorobut-2-eneN126ClCC=C(C)ClInChI=1S/C4H6Cl2/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=WLIADPFXSACYLS-UHFFFAOYSA-N127.6Ex 124.81(BP est) -69.15(MP est) 131.00(BP exp) ----(MP exp) ClCC=C(C)Cl -69.2PredN
ClC(C1)CC1Cl6378124.992C4H6Cl21,3-dichlorocyclobutaneN126ClC(C1)CC1ClInChI=1S/C4H6Cl2/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=MEMYAJNODSYPGC-UHFFFAOYSA-N125.4Ex 125.36(BP est) -54.38(MP est) ----(BP exp) ----(MP exp) ClC(C1)CC1Cl -54.4PredN
ClCCC=CCl6379124.992C4H6Cl21,4-dichlorobut-1-eneN126ClCCC=CClInChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=SWSOIFQIPTXLOI-UHFFFAOYSA-N131.1Ex 131.07(BP est) -60.34(MP est) ----(BP exp) ----(MP exp) ClCCC=CCl -60.3PredN
ClCC=CCCl6380124.992C4H6Cl21,4-dichlorobut-2-eneN126ClCC=CCClInChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=FQDIANVAWVHZIR-UHFFFAOYSA-N152.8Ex 157.35(BP est) -52.67(MP est) 152.50(BP exp) -48.00(MP exp) ClCC=CCCl -48ExptN
ClC1(CC1)CCl6381124.992C4H6Cl21-chloro-1-(chloromethyl)cyclopropaneN126ClC1(CC1)CClInChI=1S/C4H6Cl2/c5-3-4(6)1-2-4/h1-3H2InChIKey=YLAODXNSQXTHPX-UHFFFAOYSA-N117.8Ex 117.76(BP est) -40.77(MP est) ----(BP exp) ----(MP exp) ClC1(CC1)CCl -40.8PredN
ClCC1CC1Cl6382124.992C4H6Cl21-chloro-2-(chloromethyl)cyclopropaneN126ClCC1CC1ClInChI=1S/C4H6Cl2/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=GQJMJEOJRRZYBM-UHFFFAOYSA-N135.7Ex 135.74(BP est) -49.59(MP est) ----(BP exp) ----(MP exp) ClCC1CC1Cl -49.6PredN
CC(C(Cl)=C)Cl6384124.992C4H6Cl22,3-dichlorobut-1-eneN126CC(C(Cl)=C)ClInChI=1S/C4H6Cl2/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=LKINOBKAEGPXMI-UHFFFAOYSA-N112.0Ex 88.42(BP est) -85.62(MP est) 112.00(BP exp) ----(MP exp) CC(C(Cl)=C)Cl -85.6PredN
ClC(C)=C(C)Cl6385124.992C4H6Cl22,3-dichlorobut-2-eneN126ClC(C)=C(C)ClInChI=1S/C4H6Cl2/c1-3(5)4(2)6/h1-2H3InChIKey=YRCBNVMRRBIDNF-UHFFFAOYSA-N113.8Ex 90.36(BP est) -86.19(MP est) ----(BP exp) ----(MP exp) ClC(C)=C(C)Cl -86.2PredN
ClCCC(Cl)=C6386124.992C4H6Cl22,4-dichlorobut-1-eneN126ClCCC(Cl)=CInChI=1S/C4H6Cl2/c1-4(6)2-3-5/h1-3H2InChIKey=FUCWITMDDHAHRT-UHFFFAOYSA-N115.9Ex 115.91(BP est) -70.09(MP est) ----(BP exp) ----(MP exp) ClCCC(Cl)=C -70.1PredN
C=C(C(Cl)Cl)C6387124.992C4H6Cl23,3-dichloro-2-methylprop-1-eneN126C=C(C(Cl)Cl)CInChI=1S/C4H6Cl2/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=IBOBCGSJCSKTKP-UHFFFAOYSA-N109.0Ex 103.72(BP est) -81.15(MP est) ----(BP exp) ----(MP exp) C=C(C(Cl)Cl)C -81.2PredN
CC(Cl)(C=C)Cl6388124.992C4H6Cl23,3-dichlorobut-1-eneN126CC(Cl)(C=C)ClInChI=1S/C4H6Cl2/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=DKJAIBUVFONHMK-UHFFFAOYSA-N74.1Ex 74.11(BP est) -74.11(MP est) ----(BP exp) ----(MP exp) CC(Cl)(C=C)Cl -74.1PredN
ClCC(C=C)Cl6389124.992C4H6Cl23,4-dichlorobut-1-eneN126ClCC(C=C)ClInChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=XVEASTGLHPVZNA-UHFFFAOYSA-N117.9Ex 122.97(BP est) -68.55(MP est) 116.00(BP exp) -61.00(MP exp) ClCC(C=C)Cl -61ExptN
C=C(CCl)CCl6390124.992C4H6Cl23-chloro-2-(chloromethyl)prop-1-eneN126C=C(CCl)CClInChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2InChIKey=XJFZOSUFGSANIF-UHFFFAOYSA-N137.8Ex 142.89(BP est) -62.21(MP est) 138.00(BP exp) -14.00(MP exp) C=C(CCl)CCl -14ExptN
ClC(CC=C)Cl6391124.992C4H6Cl24,4-dichlorobut-1-eneN126ClC(CC=C)ClInChI=1S/C4H6Cl2/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=TXQSCEZFOCFOMS-UHFFFAOYSA-N117.0Ex 110.20(BP est) -72.28(MP est) ----(BP exp) ----(MP exp) ClC(CC=C)Cl -72.3PredN
O=P(SC)(N)C6393125.126C2H8NOPSS-methyl P-methylphosphonamidothioateN146O=P(SC)(N)CInChI=1S/C2H8NOPS/c1-5(3,4)6-2/h1-2H3,(H2,3,4)InChIKey=XAIODSBPGRTVTN-UHFFFAOYSA-N202.8Ex 202.80(BP est) -2.41(MP est) ----(BP exp) ----(MP exp) O=P(SC)(N)C -2.4PredN
NOCBr6395125.953CH4BrNOO-(bromomethyl)hydroxylamineN84NOCBrInChI=1S/CH4BrNO/c2-1-4-3/h1,3H2InChIKey=FSFZUAVQXPYIOA-UHFFFAOYSA-N118.3Ex 118.30(BP est) -25.71(MP est) ----(BP exp) ----(MP exp) NOCBr -25.7PredN
NC(Cl)(C=C)Cl6397125.98C3H5Cl2N1,1-dichloroprop-2-en-1-amineN116NC(Cl)(C=C)ClInChI=1S/C3H5Cl2N/c1-2-3(4,5)6/h2H,1,6H2InChIKey=RYVJFVTYWOMZFR-UHFFFAOYSA-N114.1Ex 114.13(BP est) -26.43(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C=C)Cl -26.4PredN
NC1(CC1Cl)Cl6398125.98C3H5Cl2N1,2-dichlorocyclopropan-1-amineN116NC1(CC1Cl)ClInChI=1S/C3H5Cl2N/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=JNSDIYQETLMFIB-UHFFFAOYSA-N136.5Ex 136.51(BP est) -1.42(MP est) ----(BP exp) ----(MP exp) NC1(CC1Cl)Cl -1.4PredN
NC(C(Cl)=C)Cl6399125.98C3H5Cl2N1,2-dichloroprop-2-en-1-amineN116NC(C(Cl)=C)ClInChI=1S/C3H5Cl2N/c1-2(4)3(5)6/h3H,1,6H2InChIKey=SVHSAHCPSZFCQA-UHFFFAOYSA-N127.6Ex 127.58(BP est) -38.19(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)=C)Cl -38.2PredN
NC(C=CCl)Cl6400125.98C3H5Cl2N1,3-dichloroprop-2-en-1-amineN116NC(C=CCl)ClInChI=1S/C3H5Cl2N/c4-2-1-3(5)6/h1-3H,6H2InChIKey=IYLKVDQOCAXGIB-UHFFFAOYSA-N142.4Ex 142.44(BP est) -28.53(MP est) ----(BP exp) ----(MP exp) NC(C=CCl)Cl -28.5PredN
ClC(Cl)C1CN16401125.98C3H5Cl2N2-(dichloromethyl)aziridineN116ClC(Cl)C1CN1InChI=1S/C3H5Cl2N/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=LVORUHSUFRAMTL-UHFFFAOYSA-N152.6Ex 152.55(BP est) -3.18(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1CN1 -3.2PredN
ClC1(Cl)C(C)N16402125.98C3H5Cl2N2,2-dichloro-3-methylaziridineN116ClC1(Cl)C(C)N1InChI=1S/C3H5Cl2N/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=NXUQSZIWRJKASU-UHFFFAOYSA-N123.2Ex 123.17(BP est) 5.57(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C(C)N1 5.6PredN
ClC1(Cl)NCC16403125.98C3H5Cl2N2,2-dichloroazetidineN116ClC1(Cl)NCC1InChI=1S/C3H5Cl2N/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=IWMVWZGADLMGFX-UHFFFAOYSA-N131.9Ex 131.93(BP est) 8.49(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)NCC1 8.5PredN
NC1CC1(Cl)Cl6404125.98C3H5Cl2N2,2-dichlorocyclopropan-1-amineN116NC1CC1(Cl)ClInChI=1S/C3H5Cl2N/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=YTKQJXYSGHPVLT-UHFFFAOYSA-N124.1Ex 124.07(BP est) -5.05(MP est) ----(BP exp) ----(MP exp) NC1CC1(Cl)Cl -5.1PredN
ClC1C(Cl)(C)N16405125.98C3H5Cl2N2,3-dichloro-2-methylaziridineN116ClC1C(Cl)(C)N1InChI=1S/C3H5Cl2N/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=ZDLGHFUTTDJPBC-UHFFFAOYSA-N135.6Ex 135.63(BP est) 9.21(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(C)N1 9.2PredN
ClC1NCC1Cl6406125.98C3H5Cl2N2,3-dichloroazetidineN116ClC1NCC1ClInChI=1S/C3H5Cl2N/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=JPHADUXGPRNOGI-UHFFFAOYSA-N161.4Ex 161.36(BP est) 3.01(MP est) ----(BP exp) ----(MP exp) ClC1NCC1Cl 3PredN
NC(C1Cl)(C1Cl)6407125.98C3H5Cl2N2,3-dichlorocyclopropan-1-amineN116NC(C1Cl)(C1Cl)InChI=1S/C3H5Cl2N/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=MHJXPQGIRWWCGB-UHFFFAOYSA-N153.9Ex 153.91(BP est) -10.41(MP est) ----(BP exp) ----(MP exp) NC(C1Cl)(C1Cl) -10.4PredN
NCC(Cl)=CCl6408125.98C3H5Cl2N2,3-dichloroprop-2-en-1-amineN116NCC(Cl)=CClInChI=1S/C3H5Cl2N/c4-1-3(5)2-6/h1H,2,6H2InChIKey=ZBQLNGPKALTYHE-UHFFFAOYSA-N135.6Ex 135.62(BP est) -30.00(MP est) ----(BP exp) ----(MP exp) NCC(Cl)=CCl -30PredN
ClC1CC(Cl)N16409125.98C3H5Cl2N2,4-dichloroazetidineN116ClC1CC(Cl)N1InChI=1S/C3H5Cl2N/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=VMGIMYKENZBLSR-UHFFFAOYSA-N161.4Ex 161.36(BP est) 3.01(MP est) ----(BP exp) ----(MP exp) ClC1CC(Cl)N1 3PredN
ClC1(CCl)CN16410125.98C3H5Cl2N2-chloro-2-(chloromethyl)aziridineN116ClC1(CCl)CN1InChI=1S/C3H5Cl2N/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=KCKUWYVJAPUOLN-UHFFFAOYSA-N154.2Ex 154.24(BP est) 16.76(MP est) ----(BP exp) ----(MP exp) ClC1(CCl)CN1 16.8PredN
ClC1C(CCl)N16411125.98C3H5Cl2N2-chloro-3-(chloromethyl)aziridineN116ClC1C(CCl)N1InChI=1S/C3H5Cl2N/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=BJBQJEPTNQOIPG-UHFFFAOYSA-N171.1Ex 171.08(BP est) 7.61(MP est) ----(BP exp) ----(MP exp) ClC1C(CCl)N1 7.6PredN
ClC1(Cl)CNC16412125.98C3H5Cl2N3,3-dichloroazetidineN116ClC1(Cl)CNC1InChI=1S/C3H5Cl2N/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=PMSRBXQVHSKTAE-UHFFFAOYSA-N131.9Ex 131.93(BP est) 8.49(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CNC1 8.5PredN
NCC=C(Cl)Cl6413125.98C3H5Cl2N3,3-dichloroprop-2-en-1-amineN116NCC=C(Cl)ClInChI=1S/C3H5Cl2N/c4-3(5)1-2-6/h1H,2,6H2InChIKey=BHIBCNAIPLXFBF-UHFFFAOYSA-N135.6Ex 135.62(BP est) -30.00(MP est) ----(BP exp) ----(MP exp) NCC=C(Cl)Cl -30PredN
S=P(O)(O)CC6414126.11C2H7O2PSethylphosphonothioic O,O-acidN136S=P(O)(O)CCInChI=1S/C2H7O2PS/c1-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)InChIKey=HGELWZQRZUOEOJ-UHFFFAOYSA-N260.5Ex 260.54(BP est) -43.56(MP est) ----(BP exp) ----(MP exp) S=P(O)(O)CC -43.6PredN
S=P(OC)OC6415126.11C2H7O2PSO,O-dimethyl phosphonothioateN136S=P(OC)OCInChI=1S/C2H7O2PS/c1-3-5(6)4-2/h5H,1-2H3InChIKey=BHVWDFJQEHZKIY-UHFFFAOYSA-N124.7Ex 124.66(BP est) -113.64(MP est) ----(BP exp) ----(MP exp) S=P(OC)OC -113.6PredN
S=P(O)(OC)C6416126.11C2H7O2PSO-methyl O-hydrogen methylphosphonothioateN136S=P(O)(OC)CInChI=1S/C2H7O2PS/c1-4-5(2,3)6/h1-2H3,(H,3,6)InChIKey=CLJZCBKOLLCYLB-UHFFFAOYSA-N196.9Ex 196.88(BP est) -81.44(MP est) ----(BP exp) ----(MP exp) S=P(O)(OC)C -81.4PredN
O=S(SC)(C)=O6418126.188C2H6O2S2S-methyl methanesulfonothioateN126O=S(SC)(C)=OInChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3InChIKey=XYONNSVDNIRXKZ-UHFFFAOYSA-N204.7Ex 204.73(BP est) 14.71(MP est) ----(BP exp) ----(MP exp) O=S(SC)(C)=O 14.7PredY(Schulz and Dickschat 2007, DNP 2017)
CSCSC(F)6419126.207C3H7FS2(fluoromethyl)((methylthio)methyl)sulfaneN136CSCSC(F)InChI=1S/C3H7FS2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=JRLQABUNZHQFCA-UHFFFAOYSA-N138.9Ex 138.88(BP est) -56.38(MP est) ----(BP exp) ----(MP exp) CSCSC(F) -56.4PredN
CSC(F)SC6420126.207C3H7FS2(fluoromethylene)bis(methylsulfane)N136CSC(F)SCInChI=1S/C3H7FS2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=IIIPUILJWSRPJL-UHFFFAOYSA-N125.1Ex 125.14(BP est) -67.89(MP est) ----(BP exp) ----(MP exp) CSC(F)SC -67.9PredN
CSSC(F)(C)6421126.207C3H7FS21-(1-fluoroethyl)-2-methyldisulfaneN136CSSC(F)(C)InChI=1S/C3H7FS2/c1-3(4)6-5-2/h3H,1-2H3InChIKey=WYZPONDHTAXSTG-UHFFFAOYSA-N125.1Ex 125.14(BP est) -67.89(MP est) ----(BP exp) ----(MP exp) CSSC(F)(C) -67.9PredN
CSSC(CF)6422126.207C3H7FS21-(2-fluoroethyl)-2-methyldisulfaneN136CSSC(CF)InChI=1S/C3H7FS2/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=PJMLRJMHDZOMNS-UHFFFAOYSA-N138.9Ex 138.88(BP est) -56.38(MP est) ----(BP exp) ----(MP exp) CSSC(CF) -56.4PredN
C(F)SSC(C)6423126.207C3H7FS21-ethyl-2-(fluoromethyl)disulfaneN136C(F)SSC(C)InChI=1S/C3H7FS2/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=GHWXPYYAAZQDGW-UHFFFAOYSA-N138.9Ex 138.88(BP est) -56.38(MP est) ----(BP exp) ----(MP exp) C(F)SSC(C) -56.4PredN
S(C)CSS6424126.25C2H6S3((methylthio)methyl)disulfaneN115S(C)CSSInChI=1S/C2H6S3/c1-4-2-5-3/h3H,2H2,1H3InChIKey=WALSYGWNKQSQFW-UHFFFAOYSA-N189.7Ex 189.67(BP est) -29.26(MP est) ----(BP exp) ----(MP exp) S(C)CSS -29.3PredN
CSSCS6425126.25C2H6S3(methyldisulfaneyl)methanethiolN115CSSCSInChI=1S/C2H6S3/c1-4-5-2-3/h3H,2H2,1H3InChIKey=PKKQZDKXYGZKGX-UHFFFAOYSA-N189.7Ex 189.67(BP est) -29.26(MP est) ----(BP exp) ----(MP exp) CSSCS -29.3PredN
CSSSC6427126.25C2H6S31,3-dimethyltrisulfaneN115CSSSCInChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3InChIKey=YWHLKYXPLRWGSE-UHFFFAOYSA-N177.3Ex 177.28(BP est) -33.90(MP est) ----(BP exp) ----(MP exp) CSSSC -33.9PredY(Schulz and Dickschat 2007, Irwin et al. 2012, Li et al. 2012, DNP 2017)
SCSCS6428126.25C2H6S3thiodimethanethiolN115SCSCSInChI=1S/C2H6S3/c3-1-5-2-4/h3-4H,1-2H2InChIKey=WTSBJMAOQNCZBF-UHFFFAOYSA-N201.7Ex 201.73(BP est) -24.71(MP est) ----(BP exp) ----(MP exp) SCSCS -24.7PredN
O=PC(Cl)=CF6430126.451C2HClFOP(1-chloro-2-fluorovinyl)(oxo)phosphaneN76O=PC(Cl)=CFInChI=1S/C2HClFOP/c3-2(1-4)6-5/h1HInChIKey=WJTJQXQVWMQTPR-UHFFFAOYSA-N123.4Ex 123.41(BP est) -62.31(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CF -62.3PredN
O=PC(F)=CCl6431126.451C2HClFOP(2-chloro-1-fluorovinyl)(oxo)phosphaneN76O=PC(F)=CClInChI=1S/C2HClFOP/c3-1-2(4)6-5/h1HInChIKey=IGBYHNHVVSNABX-UHFFFAOYSA-N123.4Ex 123.41(BP est) -62.31(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CCl -62.3PredN
O=PC=C(Cl)F6432126.451C2HClFOP(2-chloro-2-fluorovinyl)(oxo)phosphaneN76O=PC=C(Cl)FInChI=1S/C2HClFOP/c3-2(4)1-6-5/h1HInChIKey=RDGMFDBCXUFTCT-UHFFFAOYSA-N123.4Ex 123.41(BP est) -62.31(MP est) ----(BP exp) ----(MP exp) O=PC=C(Cl)F -62.3PredN
O=P(C(Cl)=C)O6433126.476C2H4ClO2P(1-chlorovinyl)phosphinic acidN106O=P(C(Cl)=C)OInChI=1S/C2H4ClO2P/c1-2(3)6(4)5/h6H,1H2,(H,4,5)InChIKey=CULOPVQDUNULJO-UHFFFAOYSA-N206.9Ex 206.88(BP est) -14.35(MP est) ----(BP exp) ----(MP exp) O=P(C(Cl)=C)O -14.4PredN
O=P(C=CCl)O6435126.476C2H4ClO2P(2-chlorovinyl)phosphinic acidN106O=P(C=CCl)OInChI=1S/C2H4ClO2P/c3-1-2-6(4)5/h1-2,6H,(H,4,5)InChIKey=NOPUYBNPYBQAJJ-UHFFFAOYSA-N219.5Ex 219.53(BP est) -5.34(MP est) ----(BP exp) ----(MP exp) O=P(C=CCl)O -5.3PredN
O=P1(O)C(Cl)C16437126.476C2H4ClO2P2-chloro-1-hydroxyphosphirane 1-oxideN106O=P1(O)C(Cl)C1InChI=1S/C2H4ClO2P/c3-2-1-6(2,4)5/h2H,1H2,(H,4,5)InChIKey=OZBNIWWXYPXVCM-UHFFFAOYSA-N225.4Ex 225.39(BP est) 1.46(MP est) ----(BP exp) ----(MP exp) O=P1(O)C(Cl)C1 1.5PredN
PC(C=C)(Cl)F6438126.495C3H5ClFP(1-chloro-1-fluoroallyl)phosphaneN116PC(C=C)(Cl)FInChI=1S/C3H5ClFP/c1-2-3(4,5)6/h2H,1,6H2InChIKey=JRJUEDBKWFTUNM-UHFFFAOYSA-N75.2Ex 75.17(BP est) -78.41(MP est) ----(BP exp) ----(MP exp) PC(C=C)(Cl)F -78.4PredN
PC(Cl)C(F)=C6439126.495C3H5ClFP(1-chloro-2-fluoroallyl)phosphaneN116PC(Cl)C(F)=CInChI=1S/C3H5ClFP/c1-2(5)3(4)6/h3H,1,6H2InChIKey=JASPTFKICUPMTD-UHFFFAOYSA-N91.6Ex 91.62(BP est) -89.30(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(F)=C -89.3PredN
CPC(Cl)=CF6440126.495C3H5ClFP(1-chloro-2-fluorovinyl)(methyl)phosphaneN116CPC(Cl)=CFInChI=1S/C3H5ClFP/c1-6-3(4)2-5/h2,6H,1H3InChIKey=WGWBJIQMGOPDME-UHFFFAOYSA-N79.2Ex 79.17(BP est) -95.28(MP est) ----(BP exp) ----(MP exp) CPC(Cl)=CF -95.3PredN
PC(Cl)C=CF6441126.495C3H5ClFP(1-chloro-3-fluoroallyl)phosphaneN116PC(Cl)C=CFInChI=1S/C3H5ClFP/c4-3(6)1-2-5/h1-3H,6H2InChIKey=OTTUXYBQSKDLPD-UHFFFAOYSA-N107.4Ex 107.38(BP est) -79.38(MP est) ----(BP exp) ----(MP exp) PC(Cl)C=CF -79.4PredN
FCPC(Cl)=C6442126.495C3H5ClFP(1-chlorovinyl)(fluoromethyl)phosphaneN116FCPC(Cl)=CInChI=1S/C3H5ClFP/c1-3(4)6-2-5/h6H,1-2H2InChIKey=ANUPGFVSHLKWCZ-UHFFFAOYSA-N69.6Ex 69.62(BP est) -96.41(MP est) ----(BP exp) ----(MP exp) FCPC(Cl)=C -96.4PredN
PC(F)C(Cl)=C6443126.495C3H5ClFP(2-chloro-1-fluoroallyl)phosphaneN116PC(F)C(Cl)=CInChI=1S/C3H5ClFP/c1-2(4)3(5)6/h3H,1,6H2InChIKey=XFCXHUHOZNAAES-UHFFFAOYSA-N76.0Ex 76.03(BP est) -93.85(MP est) ----(BP exp) ----(MP exp) PC(F)C(Cl)=C -93.9PredN
CPC(F)=CCl6444126.495C3H5ClFP(2-chloro-1-fluorovinyl)(methyl)phosphaneN116CPC(F)=CClInChI=1S/C3H5ClFP/c1-6-3(5)2-4/h2,6H,1H3InChIKey=LIXDIRIZNOLJEL-UHFFFAOYSA-N79.2Ex 79.17(BP est) -95.28(MP est) ----(BP exp) ----(MP exp) CPC(F)=CCl -95.3PredN
CPC=C(Cl)F6445126.495C3H5ClFP(2-chloro-2-fluorovinyl)(methyl)phosphaneN116CPC=C(Cl)FInChI=1S/C3H5ClFP/c1-6-2-3(4)5/h2,6H,1H3InChIKey=JVUYWWAJFJGRLQ-UHFFFAOYSA-N79.2Ex 79.17(BP est) -95.28(MP est) ----(BP exp) ----(MP exp) CPC=C(Cl)F -95.3PredN
PCC(Cl)=CF6446126.495C3H5ClFP(2-chloro-3-fluoroallyl)phosphaneN116PCC(Cl)=CFInChI=1S/C3H5ClFP/c4-3(1-5)2-6/h1H,2,6H2InChIKey=HWPZYEORWWXATJ-UHFFFAOYSA-N100.2Ex 100.15(BP est) -80.97(MP est) ----(BP exp) ----(MP exp) PCC(Cl)=CF -81PredN
FCPC=CCl6447126.495C3H5ClFP(2-chlorovinyl)(fluoromethyl)phosphaneN116FCPC=CClInChI=1S/C3H5ClFP/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=VCJDTECQZSCNLD-UHFFFAOYSA-N85.9Ex 85.91(BP est) -86.33(MP est) ----(BP exp) ----(MP exp) FCPC=CCl -86.3PredN
PC(F)C=CCl6448126.495C3H5ClFP(3-chloro-1-fluoroallyl)phosphaneN116PC(F)C=CClInChI=1S/C3H5ClFP/c4-2-1-3(5)6/h1-3H,6H2InChIKey=XJGOIWRTDSTBMX-UHFFFAOYSA-N92.2Ex 92.17(BP est) -83.82(MP est) ----(BP exp) ----(MP exp) PC(F)C=CCl -83.8PredN
PCC(F)=CCl6449126.495C3H5ClFP(3-chloro-2-fluoroallyl)phosphaneN116PCC(F)=CClInChI=1S/C3H5ClFP/c4-1-3(5)2-6/h1H,2,6H2InChIKey=AVNLCUWLWMCILO-UHFFFAOYSA-N100.2Ex 100.15(BP est) -80.97(MP est) ----(BP exp) ----(MP exp) PCC(F)=CCl -81PredN
PCC=C(Cl)F6450126.495C3H5ClFP(3-chloro-3-fluoroallyl)phosphaneN116PCC=C(Cl)FInChI=1S/C3H5ClFP/c4-3(5)1-2-6/h1H,2,6H2InChIKey=PUJGPBPLRLDZJC-UHFFFAOYSA-N100.2Ex 100.15(BP est) -80.97(MP est) ----(BP exp) ----(MP exp) PCC=C(Cl)F -81PredN
ClC(PC=C)F6451126.495C3H5ClFP(chlorofluoromethyl)(vinyl)phosphaneN116ClC(PC=C)FInChI=1S/C3H5ClFP/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=QIDQGSVJNAYEBB-UHFFFAOYSA-N77.2Ex 77.19(BP est) -94.71(MP est) ----(BP exp) ----(MP exp) ClC(PC=C)F -94.7PredN
ClCPC(F)=C6452126.495C3H5ClFP(chloromethyl)(1-fluorovinyl)phosphaneN116ClCPC(F)=CInChI=1S/C3H5ClFP/c1-3(5)6-2-4/h6H,1-2H2InChIKey=NMJZIPOETCBDSB-UHFFFAOYSA-N98.6Ex 98.63(BP est) -87.94(MP est) ----(BP exp) ----(MP exp) ClCPC(F)=C -87.9PredN
ClCPC=CF6453126.495C3H5ClFP(chloromethyl)(2-fluorovinyl)phosphaneN116ClCPC=CFInChI=1S/C3H5ClFP/c4-3-6-2-1-5/h1-2,6H,3H2InChIKey=UPYCZQLXXMHFQY-UHFFFAOYSA-N114.2Ex 114.22(BP est) -78.06(MP est) ----(BP exp) ----(MP exp) ClCPC=CF -78.1PredN
ClC(P1CC1)F6454126.495C3H5ClFP1-(chlorofluoromethyl)phosphiraneN116ClC(P1CC1)FInChI=1S/C3H5ClFP/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=WNBXZBOEEYWFRD-UHFFFAOYSA-N89.1Ex 89.10(BP est) -78.19(MP est) ----(BP exp) ----(MP exp) ClC(P1CC1)F -78.2PredN
ClCP1C(F)C16455126.495C3H5ClFP1-(chloromethyl)-2-fluorophosphiraneN116ClCP1C(F)C1InChI=1S/C3H5ClFP/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=QTFUBOYPJQJIMF-UHFFFAOYSA-N109.8Ex 109.75(BP est) -66.78(MP est) ----(BP exp) ----(MP exp) ClCP1C(F)C1 -66.8PredN
FCP1C(Cl)C16456126.495C3H5ClFP2-chloro-1-(fluoromethyl)phosphiraneN116FCP1C(Cl)C1InChI=1S/C3H5ClFP/c4-3-1-6(3)2-5/h3H,1-2H2InChIKey=DDEDZQJDHWDFIS-UHFFFAOYSA-N96.7Ex 96.71(BP est) -70.59(MP est) ----(BP exp) ----(MP exp) FCP1C(Cl)C1 -70.6PredN
CP1C(F)(Cl)C16457126.495C3H5ClFP2-chloro-2-fluoro-1-methylphosphiraneN116CP1C(F)(Cl)C1InChI=1S/C3H5ClFP/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=HFZLIOSNZNYONL-UHFFFAOYSA-N70.3Ex 70.30(BP est) -66.35(MP est) ----(BP exp) ----(MP exp) CP1C(F)(Cl)C1 -66.4PredN
ClC1(F)CCP16458126.495C3H5ClFP2-chloro-2-fluorophosphetaneN116ClC1(F)CCP1InChI=1S/C3H5ClFP/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=WXXUOLLKGPJBOD-UHFFFAOYSA-N71.6Ex 71.60(BP est) -67.05(MP est) ----(BP exp) ----(MP exp) ClC1(F)CCP1 -67.1PredN
CP1C(F)C1Cl6459126.495C3H5ClFP2-chloro-3-fluoro-1-methylphosphiraneN116CP1C(F)C1ClInChI=1S/C3H5ClFP/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=GMABXAHUVHGLHQ-UHFFFAOYSA-N89.7Ex 89.67(BP est) -74.77(MP est) ----(BP exp) ----(MP exp) CP1C(F)C1Cl -74.8PredN
ClC1C(F)CP16460126.495C3H5ClFP2-chloro-3-fluorophosphetaneN116ClC1C(F)CP1InChI=1S/C3H5ClFP/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=BARCFNYRALLNQK-UHFFFAOYSA-N90.9Ex 90.93(BP est) -75.48(MP est) ----(BP exp) ----(MP exp) ClC1C(F)CP1 -75.5PredN
ClC1CC(F)P16461126.495C3H5ClFP2-chloro-4-fluorophosphetaneN116ClC1CC(F)P1InChI=1S/C3H5ClFP/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=KHJIDXKHQKIZKD-UHFFFAOYSA-N90.9Ex 90.93(BP est) -75.48(MP est) ----(BP exp) ----(MP exp) ClC1CC(F)P1 -75.5PredN
FC1C(Cl)CP16462126.495C3H5ClFP3-chloro-2-fluorophosphetaneN116FC1C(Cl)CP1InChI=1S/C3H5ClFP/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=MIFKILFMWBGUHJ-UHFFFAOYSA-N90.9Ex 90.93(BP est) -75.48(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)CP1 -75.5PredN
ClC1(F)CPC16463126.495C3H5ClFP3-chloro-3-fluorophosphetaneN116ClC1(F)CPC1InChI=1S/C3H5ClFP/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=DYINMUOMLSOWEW-UHFFFAOYSA-N71.6Ex 71.60(BP est) -67.05(MP est) ----(BP exp) ----(MP exp) ClC1(F)CPC1 -67.1PredN
ClC(POC)C6465126.52C3H8ClOP(1-chloroethyl)(methoxy)phosphaneN146ClC(POC)CInChI=1S/C3H8ClOP/c1-3(4)6-5-2/h3,6H,1-2H3InChIKey=GLDBEJSRSXBDPK-UHFFFAOYSA-N102.0Ex 101.99(BP est) -75.78(MP est) ----(BP exp) ----(MP exp) ClC(POC)C -75.8PredN
O=P(C)C(Cl)C6466126.52C3H8ClOP(1-chloroethyl)(methyl)phosphine oxideN146O=P(C)C(Cl)CInChI=1S/C3H8ClOP/c1-3(4)6(2)5/h3,6H,1-2H3InChIKey=FLCAYQRRYGFERW-UHFFFAOYSA-N141.7Ex 141.73(BP est) -57.79(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Cl)C -57.8PredN
ClCCPOC6469126.52C3H8ClOP(2-chloroethyl)(methoxy)phosphaneN146ClCCPOCInChI=1S/C3H8ClOP/c1-5-6-3-2-4/h6H,2-3H2,1H3InChIKey=RVPVILFNCNNGPP-UHFFFAOYSA-N128.9Ex 128.90(BP est) -60.42(MP est) ----(BP exp) ----(MP exp) ClCCPOC -60.4PredN
O=P(C)CCCl6470126.52C3H8ClOP(2-chloroethyl)(methyl)phosphine oxideN146O=P(C)CCClInChI=1S/C3H8ClOP/c1-6(5)3-2-4/h6H,2-3H2,1H3InChIKey=POFHJPHEIAHSHQ-UHFFFAOYSA-N166.9Ex 166.86(BP est) -42.95(MP est) ----(BP exp) ----(MP exp) O=P(C)CCCl -43PredN
O=P(CCl)CC6474126.52C3H8ClOP(chloromethyl)(ethyl)phosphine oxideN146O=P(CCl)CCInChI=1S/C3H8ClOP/c1-2-6(5)3-4/h6H,2-3H2,1H3InChIKey=IDMSBLWXHXUEDQ-UHFFFAOYSA-N166.9Ex 166.86(BP est) -42.95(MP est) ----(BP exp) ----(MP exp) O=P(CCl)CC -43PredN
CP(CCl)OC6475126.52C3H8ClOP(chloromethyl)(methoxy)(methyl)phosphaneN146CP(CCl)OCInChI=1S/C3H8ClOP/c1-5-6(2)3-4/h3H2,1-2H3InChIKey=IRPJGASBGKPWQO-UHFFFAOYSA-N129.8Ex 129.82(BP est) -60.84(MP est) ----(BP exp) ----(MP exp) CP(CCl)OC -60.8PredN
O=P(CCl)(C)C6476126.52C3H8ClOP(chloromethyl)dimethylphosphine oxideN146O=P(CCl)(C)CInChI=1S/C3H8ClOP/c1-6(2,5)3-4/h3H2,1-2H3InChIKey=VACOMSNNWGXHSF-UHFFFAOYSA-N164.9Ex 164.88(BP est) -51.71(MP est) ----(BP exp) ----(MP exp) O=P(CCl)(C)C -51.7PredN
CSC(Cl)=C(F)6477126.573C3H4ClFS(1-chloro-2-fluorovinyl)(methyl)sulfaneN106CSC(Cl)=C(F)InChI=1S/C3H4ClFS/c1-6-3(4)2-5/h2H,1H3InChIKey=BQWIHWPINUYVMZ-UHFFFAOYSA-N108.1Ex 108.10(BP est) -77.13(MP est) ----(BP exp) ----(MP exp) CSC(Cl)=C(F) -77.1PredN
C(F)SC(Cl)=C6478126.573C3H4ClFS(1-chlorovinyl)(fluoromethyl)sulfaneN106C(F)SC(Cl)=CInChI=1S/C3H4ClFS/c1-3(4)6-2-5/h1-2H2InChIKey=NWUGDFXHMJYZIL-UHFFFAOYSA-N99.0Ex 98.95(BP est) -78.14(MP est) ----(BP exp) ----(MP exp) C(F)SC(Cl)=C -78.1PredN
CSC(F)=C(Cl)6479126.573C3H4ClFS(2-chloro-1-fluorovinyl)(methyl)sulfaneN106CSC(F)=C(Cl)InChI=1S/C3H4ClFS/c1-6-3(5)2-4/h2H,1H3InChIKey=YOJRCUAHXXDAFA-UHFFFAOYSA-N108.1Ex 108.10(BP est) -77.13(MP est) ----(BP exp) ----(MP exp) CSC(F)=C(Cl) -77.1PredN
CSC=C(Cl)(F)6480126.573C3H4ClFS(2-chloro-2-fluorovinyl)(methyl)sulfaneN106CSC=C(Cl)(F)InChI=1S/C3H4ClFS/c1-6-2-3(4)5/h2H,1H3InChIKey=FDBJWWAMOFNGJD-UHFFFAOYSA-N108.1Ex 108.10(BP est) -77.13(MP est) ----(BP exp) ----(MP exp) CSC=C(Cl)(F) -77.1PredN
C(F)SC=C(Cl)6481126.573C3H4ClFS(2-chlorovinyl)(fluoromethyl)sulfaneN106C(F)SC=C(Cl)InChI=1S/C3H4ClFS/c4-1-2-6-3-5/h1-2H,3H2InChIKey=YLLISOCJDWTETE-UHFFFAOYSA-N114.5Ex 114.54(BP est) -68.27(MP est) ----(BP exp) ----(MP exp) C(F)SC=C(Cl) -68.3PredN
C(Cl)(F)SC=C6482126.573C3H4ClFS(chlorofluoromethyl)(vinyl)sulfaneN106C(Cl)(F)SC=CInChI=1S/C3H4ClFS/c1-2-6-3(4)5/h2-3H,1H2InChIKey=GIYCYIHDNWXQEV-UHFFFAOYSA-N106.2Ex 106.21(BP est) -76.54(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)SC=C -76.5PredN
C(Cl)SC(F)=C6483126.573C3H4ClFS(chloromethyl)(1-fluorovinyl)sulfaneN106C(Cl)SC(F)=CInChI=1S/C3H4ClFS/c1-3(5)6-2-4/h1-2H2InChIKey=OCHDUVPLPGUFSU-UHFFFAOYSA-N126.7Ex 126.69(BP est) -70.04(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(F)=C -70PredN
C(Cl)SC=C(F)6484126.573C3H4ClFS(chloromethyl)(2-fluorovinyl)sulfaneN106C(Cl)SC=C(F)InChI=1S/C3H4ClFS/c4-3-6-2-1-5/h1-2H,3H2InChIKey=LCWGTYKWXYFYDI-UHFFFAOYSA-N141.6Ex 141.58(BP est) -60.38(MP est) ----(BP exp) ----(MP exp) C(Cl)SC=C(F) -60.4PredN
SC(Cl)(F)(C=C)6485126.573C3H4ClFS1-chloro-1-fluoroprop-2-ene-1-thiolN106SC(Cl)(F)(C=C)InChI=1S/C3H4ClFS/c1-2-3(4,5)6/h2,6H,1H2InChIKey=TUIQIDXYBUFUAN-UHFFFAOYSA-N98.1Ex 98.05(BP est) -69.19(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(C=C) -69.2PredN
SC(Cl)(C1)(C1F)6486126.573C3H4ClFS1-chloro-2-fluorocyclopropane-1-thiolN106SC(Cl)(C1)(C1F)InChI=1S/C3H4ClFS/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=FIPWRYJMASIXOA-UHFFFAOYSA-N108.3Ex 108.25(BP est) -47.74(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C1)(C1F) -47.7PredN
SC(Cl)(C(F)=C)6487126.573C3H4ClFS1-chloro-2-fluoroprop-2-ene-1-thiolN106SC(Cl)(C(F)=C)InChI=1S/C3H4ClFS/c1-2(5)3(4)6/h3,6H,1H2InChIKey=UJXXXUDOOWUYTG-UHFFFAOYSA-N113.9Ex 113.94(BP est) -80.24(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(F)=C) -80.2PredN
SC(Cl)(C=CF)6488126.573C3H4ClFS1-chloro-3-fluoroprop-2-ene-1-thiolN106SC(Cl)(C=CF)InChI=1S/C3H4ClFS/c4-3(6)1-2-5/h1-3,6HInChIKey=CBRJGOMVUXAVTH-UHFFFAOYSA-N129.2Ex 129.15(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C=CF) -70.5PredN
ClC(F)C1CS16489126.573C3H4ClFS2-(chlorofluoromethyl)thiiraneN106ClC(F)C1CS1InChI=1S/C3H4ClFS/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=ZRPKUPPMJGCIEI-UHFFFAOYSA-N109.4Ex 109.43(BP est) -44.23(MP est) ----(BP exp) ----(MP exp) ClC(F)C1CS1 -44.2PredN
FC1(CCl)CS16490126.573C3H4ClFS2-(chloromethyl)-2-fluorothiiraneN106FC1(CCl)CS1InChI=1S/C3H4ClFS/c4-1-3(5)2-6-3/h1-2H2InChIKey=CTCZOPWYTDGMMU-UHFFFAOYSA-N124.0Ex 123.95(BP est) -20.54(MP est) ----(BP exp) ----(MP exp) FC1(CCl)CS1 -20.5PredN
FC1C(CCl)S16491126.573C3H4ClFS2-(chloromethyl)-3-fluorothiiraneN106FC1C(CCl)S1InChI=1S/C3H4ClFS/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=PYFLCGRJGHOLEO-UHFFFAOYSA-N129.4Ex 129.42(BP est) -33.01(MP est) ----(BP exp) ----(MP exp) FC1C(CCl)S1 -33PredN
SC(F)(C1)(C1Cl)6492126.573C3H4ClFS2-chloro-1-fluorocyclopropane-1-thiolN106SC(F)(C1)(C1Cl)InChI=1S/C3H4ClFS/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=GPJQOYBNAXSHPL-UHFFFAOYSA-N121.0Ex 121.02(BP est) -44.01(MP est) ----(BP exp) ----(MP exp) SC(F)(C1)(C1Cl) -44PredN
SC(F)(C(Cl)=C)6493126.573C3H4ClFS2-chloro-1-fluoroprop-2-ene-1-thiolN106SC(F)(C(Cl)=C)InChI=1S/C3H4ClFS/c1-2(4)3(5)6/h3,6H,1H2InChIKey=TVMNXGQKFXBFNV-UHFFFAOYSA-N98.9Ex 98.89(BP est) -84.63(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Cl)=C) -84.6PredN
ClC1(CF)CS16494126.573C3H4ClFS2-chloro-2-(fluoromethyl)thiiraneN106ClC1(CF)CS1InChI=1S/C3H4ClFS/c4-3(1-5)2-6-3/h1-2H2InChIKey=YJNXBSDTHOUKTR-UHFFFAOYSA-N98.2Ex 98.23(BP est) -28.05(MP est) ----(BP exp) ----(MP exp) ClC1(CF)CS1 -28.1PredN
ClC1(F)C(C)S16495126.573C3H4ClFS2-chloro-2-fluoro-3-methylthiiraneN106ClC1(F)C(C)S1InChI=1S/C3H4ClFS/c1-2-3(4,5)6-2/h2H,1H3InChIKey=SVAYVOYZPSUTJJ-UHFFFAOYSA-N91.2Ex 91.21(BP est) -32.22(MP est) ----(BP exp) ----(MP exp) ClC1(F)C(C)S1 -32.2PredN
SC(C1)(C1(Cl)F)6496126.573C3H4ClFS2-chloro-2-fluorocyclopropane-1-thiolN106SC(C1)(C1(Cl)F)InChI=1S/C3H4ClFS/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=MSXIACKEZMGRSO-UHFFFAOYSA-N108.3Ex 108.25(BP est) -47.74(MP est) ----(BP exp) ----(MP exp) SC(C1)(C1(Cl)F) -47.7PredN
ClC1(F)SCC16497126.573C3H4ClFS2-chloro-2-fluorothietaneN106ClC1(F)SCC1InChI=1S/C3H4ClFS/c4-3(5)1-2-6-3/h1-2H2InChIKey=DYLHAPHNCAEWDV-UHFFFAOYSA-N100.4Ex 100.43(BP est) -29.16(MP est) ----(BP exp) ----(MP exp) ClC1(F)SCC1 -29.2PredN
ClC1C(CF)S16498126.573C3H4ClFS2-chloro-3-(fluoromethyl)thiiraneN106ClC1C(CF)S1InChI=1S/C3H4ClFS/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=JWNHJTKOVDZHIL-UHFFFAOYSA-N116.8Ex 116.79(BP est) -36.70(MP est) ----(BP exp) ----(MP exp) ClC1C(CF)S1 -36.7PredN
FC1C(Cl)(C)S16499126.573C3H4ClFS2-chloro-3-fluoro-2-methylthiiraneN106FC1C(Cl)(C)S1InChI=1S/C3H4ClFS/c1-3(4)2(5)6-3/h2H,1H3InChIKey=GFRXHLWBJHRBJP-UHFFFAOYSA-N91.2Ex 91.21(BP est) -32.22(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(C)S1 -32.2PredN
SC(C1Cl)(C1F)6500126.573C3H4ClFS2-chloro-3-fluorocyclopropane-1-thiolN106SC(C1Cl)(C1F)InChI=1S/C3H4ClFS/c4-1-2(5)3(1)6/h1-3,6HInChIKey=AFWBGXDCBNPLNG-UHFFFAOYSA-N126.5Ex 126.51(BP est) -56.48(MP est) ----(BP exp) ----(MP exp) SC(C1Cl)(C1F) -56.5PredN
SC(C(Cl)=CF)6501126.573C3H4ClFS2-chloro-3-fluoroprop-2-ene-1-thiolN106SC(C(Cl)=CF)InChI=1S/C3H4ClFS/c4-3(1-5)2-6/h1,6H,2H2InChIKey=ZVDALGFHPIQRDS-UHFFFAOYSA-N122.2Ex 122.17(BP est) -71.99(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)=CF) -72PredN
ClC1SCC1F6502126.573C3H4ClFS2-chloro-3-fluorothietaneN106ClC1SCC1FInChI=1S/C3H4ClFS/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=JGPMVHWFXOAZHH-UHFFFAOYSA-N118.9Ex 118.93(BP est) -37.83(MP est) ----(BP exp) ----(MP exp) ClC1SCC1F -37.8PredN
ClC1CC(F)S16503126.573C3H4ClFS2-chloro-4-fluorothietaneN106ClC1CC(F)S1InChI=1S/C3H4ClFS/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=DUDBWPBYCAHDCL-UHFFFAOYSA-N118.9Ex 118.93(BP est) -37.83(MP est) ----(BP exp) ----(MP exp) ClC1CC(F)S1 -37.8PredN
SC(F)(C=CCl)6504126.573C3H4ClFS3-chloro-1-fluoroprop-2-ene-1-thiolN106SC(F)(C=CCl)InChI=1S/C3H4ClFS/c4-2-1-3(5)6/h1-3,6HInChIKey=WLJMASURGVZTMR-UHFFFAOYSA-N114.5Ex 114.47(BP est) -74.76(MP est) ----(BP exp) ----(MP exp) SC(F)(C=CCl) -74.8PredN
ClC1C(F)(C)S16505126.573C3H4ClFS3-chloro-2-fluoro-2-methylthiiraneN106ClC1C(F)(C)S1InChI=1S/C3H4ClFS/c1-3(5)2(4)6-3/h2H,1H3InChIKey=ORBSUTYSIOODOW-UHFFFAOYSA-N104.3Ex 104.33(BP est) -28.39(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(C)S1 -28.4PredN
SC(C(F)=CCl)6506126.573C3H4ClFS3-chloro-2-fluoroprop-2-ene-1-thiolN106SC(C(F)=CCl)InChI=1S/C3H4ClFS/c4-1-3(5)2-6/h1,6H,2H2InChIKey=AZCLGHGULQEUHT-UHFFFAOYSA-N122.2Ex 122.17(BP est) -71.99(MP est) ----(BP exp) ----(MP exp) SC(C(F)=CCl) -72PredN
FC1SCC1Cl6507126.573C3H4ClFS3-chloro-2-fluorothietaneN106FC1SCC1ClInChI=1S/C3H4ClFS/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=DMVAUGNXNLVDQQ-UHFFFAOYSA-N118.9Ex 118.93(BP est) -37.83(MP est) ----(BP exp) ----(MP exp) FC1SCC1Cl -37.8PredN
SC(C=C(Cl)F)6508126.573C3H4ClFS3-chloro-3-fluoroprop-2-ene-1-thiolN106SC(C=C(Cl)F)InChI=1S/C3H4ClFS/c4-3(5)1-2-6/h1,6H,2H2InChIKey=IHQBKOWHVRYOJS-UHFFFAOYSA-N122.2Ex 122.17(BP est) -71.99(MP est) ----(BP exp) ----(MP exp) SC(C=C(Cl)F) -72PredN
ClC1(F)CSC16509126.573C3H4ClFS3-chloro-3-fluorothietaneN106ClC1(F)CSC1InChI=1S/C3H4ClFS/c4-3(5)1-6-2-3/h1-2H2InChIKey=LMXQTSHAOOAPMR-UHFFFAOYSA-N100.4Ex 100.43(BP est) -29.16(MP est) ----(BP exp) ----(MP exp) ClC1(F)CSC1 -29.2PredN
F[Si]1(O)CC1Cl6510126.586C2H4ClFOSi2-chloro-1-fluorosiliran-1-olN106F[Si]1(O)CC1ClInChI=1S/C2H4ClFOSi/c3-2-1-6(2,4)5/h2,5H,1H2InChIKey=DPBLFUWWOYBGDT-UHFFFAOYSA-N124.1Ex 124.11(BP est) -0.21(MP est) ----(BP exp) ----(MP exp) F[Si]1(O)CC1Cl -0.2PredN
F[Si](C)(CCl)C6511126.63C3H8ClFSi(chloromethyl)fluorodimethylsilaneN146F[Si](C)(CCl)CInChI=1S/C3H8ClFSi/c1-6(2,5)3-4/h3H2,1-2H3InChIKey=YVAKMDBUZRKCCY-UHFFFAOYSA-N65.3Ex 65.32(BP est) -93.37(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CCl)C -93.4PredN
BrCP6514126.921CH4BrP(bromomethyl)phosphaneN73BrCPInChI=1S/CH4BrP/c2-1-3/h1,3H2InChIKey=BVIHMMVWIIKCHZ-UHFFFAOYSA-N90.7Ex 90.69(BP est) -70.83(MP est) ----(BP exp) ----(MP exp) BrCP -70.8PredN
ClC(C1F)=C1Cl6515126.939C3HCl2F1,2-dichloro-3-fluorocycloprop-1-eneN76ClC(C1F)=C1ClInChI=1S/C3HCl2F/c4-1-2(5)3(1)6/h3HInChIKey=ASZLYDVWZKVPOC-UHFFFAOYSA-N77.2Ex 77.19(BP est) -57.00(MP est) ----(BP exp) ----(MP exp) ClC(C1F)=C1Cl -57PredN
ClC(C1Cl)=C1F6516126.939C3HCl2F1,3-dichloro-2-fluorocycloprop-1-eneN76ClC(C1Cl)=C1FInChI=1S/C3HCl2F/c4-1-2(5)3(1)6/h1HInChIKey=STTMGGXQDXUPLK-UHFFFAOYSA-N92.8Ex 92.75(BP est) -52.46(MP est) ----(BP exp) ----(MP exp) ClC(C1Cl)=C1F -52.5PredN
ClC1=CC1(F)Cl6517126.939C3HCl2F1,3-dichloro-3-fluorocycloprop-1-eneN76ClC1=CC1(F)ClInChI=1S/C3HCl2F/c4-2-1-3(2,5)6/h1HInChIKey=CYUFOUFYJAWKPS-UHFFFAOYSA-N68.4Ex 68.36(BP est) -53.89(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(F)Cl -53.9PredN
C(Cl)(F)(C#CCl)6518126.939C3HCl2F1,3-dichloro-3-fluoroprop-1-yneN76C(Cl)(F)(C#CCl)InChI=1S/C3HCl2F/c4-2-1-3(5)6/h3HInChIKey=HLJBMOWPMHETGR-UHFFFAOYSA-N92.6Ex 92.55(BP est) -28.84(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C#CCl) -28.8PredN
FC1=CC1(Cl)Cl6519126.939C3HCl2F3,3-dichloro-1-fluorocycloprop-1-eneN76FC1=CC1(Cl)ClInChI=1S/C3HCl2F/c4-3(5)1-2(3)6/h1HInChIKey=UIFFHJNDKZNDRI-UHFFFAOYSA-N70.6Ex 70.59(BP est) -53.24(MP est) ----(BP exp) ----(MP exp) FC1=CC1(Cl)Cl -53.2PredN
C(Cl)(Cl)(C#CF)6520126.939C3HCl2F3,3-dichloro-1-fluoroprop-1-yneN76C(Cl)(Cl)(C#CF)InChI=1S/C3HCl2F/c4-3(5)1-2-6/h3HInChIKey=GTXDEFSFVGMZLU-UHFFFAOYSA-N107.8Ex 107.76(BP est) -24.40(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C#CF) -24.4PredN
C(Cl)(Cl)(F)(C#C)6521126.939C3HCl2F3,3-dichloro-3-fluoroprop-1-yneN76C(Cl)(Cl)(F)(C#C)InChI=1S/C3HCl2F/c1-2-3(4,5)6/h1HInChIKey=GXDZMYQOCHFITJ-UHFFFAOYSA-N62.1Ex 62.10(BP est) -58.59(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(F)(C#C) -58.6PredN
C(C(Br)F)6522126.956C2H4BrF1-bromo-1-fluoroethaneN84C(C(Br)F)InChI=1S/C2H4BrF/c1-2(3)4/h2H,1H3InChIKey=ZVHZPFSWZWSDEN-UHFFFAOYSA-N71.6Ex 39.14(BP est) -103.14(MP est) ----(BP exp) ----(MP exp) C(C(Br)F) -103.1PredN
C(Br)(CF)6523126.956C2H4BrF1-bromo-2-fluoroethaneN84C(Br)(CF)InChI=1S/C2H4BrF/c3-1-2-4/h1-2H2InChIKey=JTLAIKFGRHDNQM-UHFFFAOYSA-N69.0Ex 54.78(BP est) -91.07(MP est) 71.50(BP exp) ----(MP exp) C(Br)(CF) -91.1PredN
ClC(OC=C)Cl6524126.964C3H4Cl2O(dichloromethoxy)etheneN106ClC(OC=C)ClInChI=1S/C3H4Cl2O/c1-2-6-3(4)5/h2-3H,1H2InChIKey=SVHUUUFXVSNROW-UHFFFAOYSA-N111.1Ex 111.12(BP est) -66.53(MP est) ----(BP exp) ----(MP exp) ClC(OC=C)Cl -66.5PredN
COC=C(Cl)Cl6525126.964C3H4Cl2O1,1-dichloro-2-methoxyetheneN106COC=C(Cl)ClInChI=1S/C3H4Cl2O/c1-6-2-3(4)5/h2H,1H3InChIKey=NEVFFIFQMFBOEA-UHFFFAOYSA-N97.9Ex 97.92(BP est) -71.52(MP est) ----(BP exp) ----(MP exp) COC=C(Cl)Cl -71.5PredN
OC(Cl)(C=C)Cl6526126.964C3H4Cl2O1,1-dichloroprop-2-en-1-olN106OC(Cl)(C=C)ClInChI=1S/C3H4Cl2O/c1-2-3(4,5)6/h2,6H,1H2InChIKey=JQNOSUBQAPFJCK-UHFFFAOYSA-N121.2Ex 121.21(BP est) -35.58(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C=C)Cl -35.6PredN
CC(C(Cl)Cl)=O6527126.964C3H4Cl2O1,1-dichloropropan-2-oneN106CC(C(Cl)Cl)=OInChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3InChIKey=CSVFWMMPUJDVKH-UHFFFAOYSA-N120.0Ex 134.03(BP est) -45.11(MP est) 120.00(BP exp) ----(MP exp) CC(C(Cl)Cl)=O -45.1PredN
COC(Cl)=CCl6528126.964C3H4Cl2O1,2-dichloro-1-methoxyetheneN106COC(Cl)=CClInChI=1S/C3H4Cl2O/c1-6-3(5)2-4/h2H,1H3InChIKey=RFPWKACYPUAOIP-UHFFFAOYSA-N97.9Ex 97.92(BP est) -71.52(MP est) ----(BP exp) ----(MP exp) COC(Cl)=CCl -71.5PredN
OC1(CC1Cl)Cl6529126.964C3H4Cl2O1,2-dichlorocyclopropan-1-olN106OC1(CC1Cl)ClInChI=1S/C3H4Cl2O/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=NFNUFQWTBPSUQS-UHFFFAOYSA-N143.3Ex 143.32(BP est) -10.65(MP est) ----(BP exp) ----(MP exp) OC1(CC1Cl)Cl -10.7PredN
OC(C(Cl)=C)Cl6530126.964C3H4Cl2O1,2-dichloroprop-2-en-1-olN106OC(C(Cl)=C)ClInChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h3,6H,1H2InChIKey=NCNNWAQYNIRWRR-UHFFFAOYSA-N145.0Ex 144.99(BP est) -44.33(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)=C)Cl -44.3PredN
OC(C=CCl)Cl6531126.964C3H4Cl2O1,3-dichloroprop-2-en-1-olN106OC(C=CCl)ClInChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-3,6HInChIKey=CRJAQIICJDLUPH-UHFFFAOYSA-N159.4Ex 159.40(BP est) -34.80(MP est) ----(BP exp) ----(MP exp) OC(C=CCl)Cl -34.8PredN
C(Cl)C(=O)C(Cl)6532126.964C3H4Cl2O1,3-dichloropropan-2-oneN106C(Cl)C(=O)C(Cl)InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2InChIKey=SUNMBRGCANLOEG-UHFFFAOYSA-N172.7Ex 171.21(BP est) -26.76(MP est) 173.40(BP exp) 45.00(MP exp) C(Cl)C(=O)C(Cl) 45ExptY(Kladi et al. 2004)
ClCOC(Cl)=C6533126.964C3H4Cl2O1-chloro-1-(chloromethoxy)etheneN106ClCOC(Cl)=CInChI=1S/C3H4Cl2O/c1-3(5)6-2-4/h1-2H2InChIKey=HMQQTNMCEMOIKD-UHFFFAOYSA-N116.8Ex 116.82(BP est) -64.34(MP est) ----(BP exp) ----(MP exp) ClCOC(Cl)=C -64.3PredN
ClCOC=CCl6534126.964C3H4Cl2O1-chloro-2-(chloromethoxy)etheneN106ClCOC=CClInChI=1S/C3H4Cl2O/c4-1-2-6-3-5/h1-2H,3H2InChIKey=DDQIITWAWBNWLF-UHFFFAOYSA-N132.0Ex 131.96(BP est) -54.61(MP est) ----(BP exp) ----(MP exp) ClCOC=CCl -54.6PredN
ClC(Cl)C1CO16535126.964C3H4Cl2O2-(dichloromethyl)oxiraneN106ClC(Cl)C1CO1InChI=1S/C3H4Cl2O/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=DIYZRTRTCGAIKG-UHFFFAOYSA-N122.3Ex 122.25(BP est) -51.26(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1CO1 -51.3PredN
ClC1(Cl)C(C)O16536126.964C3H4Cl2O2,2-dichloro-3-methyloxiraneN106ClC1(Cl)C(C)O1InChI=1S/C3H4Cl2O/c1-2-3(4,5)6-2/h2H,1H3InChIKey=ZOXUSFWZMWJWOJ-UHFFFAOYSA-N91.3Ex 91.29(BP est) -42.97(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C(C)O1 -43PredN
OC1CC1(Cl)Cl6537126.964C3H4Cl2O2,2-dichlorocyclopropan-1-olN106OC1CC1(Cl)ClInChI=1S/C3H4Cl2O/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=MYGKOTXRVZHQSU-UHFFFAOYSA-N141.6Ex 141.59(BP est) -11.16(MP est) ----(BP exp) ----(MP exp) OC1CC1(Cl)Cl -11.2PredN
ClC1(Cl)OCC16538126.964C3H4Cl2O2,2-dichlorooxetaneN106ClC1(Cl)OCC1InChI=1S/C3H4Cl2O/c4-3(5)1-2-6-3/h1-2H2InChIKey=HUTMZCIJZUXLKA-UHFFFAOYSA-N100.5Ex 100.51(BP est) -39.92(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)OCC1 -39.9PredN
O=CC(Cl)(C)Cl6539126.964C3H4Cl2O2,2-dichloropropanalN106O=CC(Cl)(C)ClInChI=1S/C3H4Cl2O/c1-3(4,5)2-6/h2H,1H3InChIKey=RZMJADJBFVRIFD-UHFFFAOYSA-N85.0Ex 113.15(BP est) -46.46(MP est) ----(BP exp) ----(MP exp) O=CC(Cl)(C)Cl -46.5PredN
ClC1C(Cl)(C)O16540126.964C3H4Cl2O2,3-dichloro-2-methyloxiraneN106ClC1C(Cl)(C)O1InChI=1S/C3H4Cl2O/c1-3(5)2(4)6-3/h2H,1H3InChIKey=YHENEZFTWPINKV-UHFFFAOYSA-N104.4Ex 104.41(BP est) -39.14(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(C)O1 -39.1PredN
OC(C1Cl)(C1Cl)6541126.964C3H4Cl2O2,3-dichlorocyclopropan-1-olN106OC(C1Cl)(C1Cl)InChI=1S/C3H4Cl2O/c4-1-2(5)3(1)6/h1-3,6HInChIKey=MGEBKGSKVPZBEZ-UHFFFAOYSA-N170.5Ex 170.51(BP est) -16.79(MP est) ----(BP exp) ----(MP exp) OC(C1Cl)(C1Cl) -16.8PredN
ClC1OCC1Cl6542126.964C3H4Cl2O2,3-dichlorooxetaneN106ClC1OCC1ClInChI=1S/C3H4Cl2O/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=PPZADHRULXLDNL-UHFFFAOYSA-N131.6Ex 131.56(BP est) -44.92(MP est) ----(BP exp) ----(MP exp) ClC1OCC1Cl -44.9PredN
OCC(Cl)=CCl6543126.964C3H4Cl2O2,3-dichloroprop-2-en-1-olN106OCC(Cl)=CClInChI=1S/C3H4Cl2O/c4-1-3(5)2-6/h1,6H,2H2InChIKey=RCVUBNYOVBXVBD-UHFFFAOYSA-N159.8Ex 159.84(BP est) -34.15(MP est) ----(BP exp) ----(MP exp) OCC(Cl)=CCl -34.2PredN
O=CC(CCl)Cl6544126.964C3H4Cl2O2,3-dichloropropanalN106O=CC(CCl)ClInChI=1S/C3H4Cl2O/c4-1-3(5)2-6/h2-3H,1H2InChIKey=IZRKUJREXIKAQM-UHFFFAOYSA-N159.1Ex 159.06(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) O=CC(CCl)Cl -41.8PredN
ClC1CC(Cl)O16545126.964C3H4Cl2O2,4-dichlorooxetaneN106ClC1CC(Cl)O1InChI=1S/C3H4Cl2O/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=GUAWSPHEXKLGFO-UHFFFAOYSA-N131.6Ex 131.56(BP est) -44.92(MP est) ----(BP exp) ----(MP exp) ClC1CC(Cl)O1 -44.9PredN
ClC1(CCl)CO16546126.964C3H4Cl2O2-chloro-2-(chloromethyl)oxiraneN106ClC1(CCl)CO1InChI=1S/C3H4Cl2O/c4-1-3(5)2-6-3/h1-2H2InChIKey=ZSBIECRLTCKCHE-UHFFFAOYSA-N124.0Ex 124.03(BP est) -31.29(MP est) ----(BP exp) ----(MP exp) ClC1(CCl)CO1 -31.3PredN
ClC1C(CCl)O16547126.964C3H4Cl2O2-chloro-3-(chloromethyl)oxiraneN106ClC1C(CCl)O1InChI=1S/C3H4Cl2O/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=RLGCGUQZAWGNEO-UHFFFAOYSA-N141.8Ex 141.82(BP est) -40.17(MP est) ----(BP exp) ----(MP exp) ClC1C(CCl)O1 -40.2PredN
ClC1(Cl)COC16548126.964C3H4Cl2O3,3-dichlorooxetaneN106ClC1(Cl)COC1InChI=1S/C3H4Cl2O/c4-3(5)1-6-2-3/h1-2H2InChIKey=RGEJADNSBKIVTC-UHFFFAOYSA-N100.5Ex 100.51(BP est) -39.92(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)COC1 -39.9PredN
OCC=C(Cl)Cl6549126.964C3H4Cl2O3,3-dichloroprop-2-en-1-olN106OCC=C(Cl)ClInChI=1S/C3H4Cl2O/c4-3(5)1-2-6/h1,6H,2H2InChIKey=KJEGVVJINLACNZ-UHFFFAOYSA-N159.8Ex 159.84(BP est) -34.15(MP est) ----(BP exp) ----(MP exp) OCC=C(Cl)Cl -34.2PredN
O=CCC(Cl)Cl6550126.964C3H4Cl2O3,3-dichloropropanalN106O=CCC(Cl)ClInChI=1S/C3H4Cl2O/c4-3(5)1-2-6/h2-3H,1H2InChIKey=QEXYJPRMEUXAQG-UHFFFAOYSA-N147.1Ex 147.09(BP est) -45.26(MP est) ----(BP exp) ----(MP exp) O=CCC(Cl)Cl -45.3PredN
ClC(S1)=C1Cl6551126.982C2Cl2S2,3-dichlorothiireneN55ClC(S1)=C1ClInChI=1S/C2Cl2S/c3-1-2(4)5-1InChIKey=LNZILPRSVNBJGO-UHFFFAOYSA-N124.0Ex 123.95(BP est) -8.44(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1Cl -8.4PredN
SCBr6552126.999CH3BrSbromomethanethiolN63SCBrInChI=1S/CH3BrS/c2-1-3/h3H,1H2InChIKey=GVEBHIUSIXVIKO-UHFFFAOYSA-N113.0Ex 113.04(BP est) -61.76(MP est) ----(BP exp) ----(MP exp) SCBr -61.8PredN
CC(C(Cl)Cl)C6554127.008C4H8Cl21,1-dichloro-2-methylpropaneN146CC(C(Cl)Cl)CInChI=1S/C4H8Cl2/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=JVHKSSIDGAUKGK-UHFFFAOYSA-N105.0Ex 97.59(BP est) -82.58(MP est) 106.00(BP exp) ----(MP exp) CC(C(Cl)Cl)C -82.6PredN
CCCC(Cl)Cl6555127.008C4H8Cl21,1-dichlorobutaneN146CCCC(Cl)ClInChI=1S/C4H8Cl2/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=SEQRDAAUNCRFIT-UHFFFAOYSA-N114.4Ex 111.97(BP est) -70.88(MP est) 113.80(BP exp) ----(MP exp) CCCC(Cl)Cl -70.9PredN
ClC(C)(CCl)C6556127.008C4H8Cl21,2-dichloro-2-methylpropaneN146ClC(C)(CCl)CInChI=1S/C4H8Cl2/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=OQPNDCHKFIHPBY-UHFFFAOYSA-N106.3Ex 102.59(BP est) -64.91(MP est) 106.50(BP exp) ----(MP exp) ClC(C)(CCl)C -64.9PredN
CCC(CCl)Cl6557127.008C4H8Cl21,2-dichlorobutaneN146CCC(CCl)ClInChI=1S/C4H8Cl2/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=PQBOTZNYFQWRHU-UHFFFAOYSA-N123.3Ex 124.70(BP est) -67.17(MP est) 124.10(BP exp) ----(MP exp) CCC(CCl)Cl -67.2PredN
CC(CCl)CCl6558127.008C4H8Cl21,3-dichloro-2-methylpropaneN146CC(CCl)CClInChI=1S/C4H8Cl2/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=VENSUTAUIFXSRD-UHFFFAOYSA-N135.0Ex 137.16(BP est) -63.53(MP est) 136.40(BP exp) ----(MP exp) CC(CCl)CCl -63.5PredN
CC(CCCl)Cl6559127.008C4H8Cl21,3-dichlorobutaneN146CC(CCCl)ClInChI=1S/C4H8Cl2/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=QBGVARBIQGHVKR-UHFFFAOYSA-N133.0Ex 124.70(BP est) -67.17(MP est) 134.00(BP exp) ----(MP exp) CC(CCCl)Cl -67.2PredN
C(Cl)(CCCCl)6560127.008C4H8Cl21,4-dichlorobutaneN146C(Cl)(CCCCl)InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2InChIKey=KJDRSWPQXHESDQ-UHFFFAOYSA-N156.6Ex 150.61(BP est) -52.10(MP est) 161.00(BP exp) -37.30(MP exp) C(Cl)(CCCCl) -37.3ExptN
CCC(Cl)(C)Cl6561127.008C4H8Cl22,2-dichlorobutaneN146CCC(Cl)(C)ClInChI=1S/C4H8Cl2/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=BSRTYNDWQXVCKR-UHFFFAOYSA-N102.0Ex 75.97(BP est) -72.68(MP est) 104.00(BP exp) -74.00(MP exp) CCC(Cl)(C)Cl -74ExptN
CC(C(C)Cl)Cl6562127.008C4H8Cl22,3-dichlorobutaneN146CC(C(C)Cl)ClInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=RMISVOPUIFJTEO-UHFFFAOYSA-N118.9Ex 97.59(BP est) -82.58(MP est) 118.00(BP exp) -80.00(MP exp) CC(C(C)Cl)Cl -80ExptN
O=S(=O)(SN)C6563127.176CH5NO2S22-amino-1-methyl-1lambda6-disulfane-1,1-dioneN116O=S(=O)(SN)CInChI=1S/CH5NO2S2/c1-6(3,4)5-2/h2H2,1H3InChIKey=ZRZCGXZDNDOLMK-UHFFFAOYSA-N236.0Ex 236.03(BP est) 47.95(MP est) ----(BP exp) ----(MP exp) O=S(=O)(SN)C 48PredN
NC(Br)(F)6565127.944CH3BrFNbromofluoromethanamineN74NC(Br)(F)InChI=1S/CH3BrFN/c2-1(3)4/h1H,4H2InChIKey=SFFZEZIVDWAUFB-UHFFFAOYSA-N81.2Ex 81.21(BP est) -54.86(MP est) ----(BP exp) ----(MP exp) NC(Br)(F) -54.9PredN
ClC(C(N)=O)Cl6566127.952C2H3Cl2NO2,2-dichloroacetamideN96ClC(C(N)=O)ClInChI=1S/C2H3Cl2NO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=WCGGWVOVFQNRRS-UHFFFAOYSA-N234.0Ex 247.94(BP est) 53.10(MP est) 234.00(BP exp) 99.40(MP exp) ClC(C(N)=O)Cl 99.4ExptY(Ohta and Takagi 1977)
ClC1(Cl)N(O)C16567127.952C2H3Cl2NO2,2-dichloroaziridin-1-olN96ClC1(Cl)N(O)C1InChI=1S/C2H3Cl2NO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=XZOVLVXZILXYPL-UHFFFAOYSA-N233.2Ex 233.16(BP est) 42.92(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)N(O)C1 42.9PredN
ClC1(Cl)NOC16568127.952C2H3Cl2NO3,3-dichloro-1,2-oxazetidineN96ClC1(Cl)NOC1InChI=1S/C2H3Cl2NO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=DXUIZKTUDFUMEH-UHFFFAOYSA-N138.1Ex 138.05(BP est) 17.92(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)NOC1 17.9PredN
ClC1NOC1Cl6569127.952C2H3Cl2NO3,4-dichloro-1,2-oxazetidineN96ClC1NOC1ClInChI=1S/C2H3Cl2NO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=GJUQOIWYJHINCD-UHFFFAOYSA-N167.2Ex 167.16(BP est) 12.35(MP est) ----(BP exp) ----(MP exp) ClC1NOC1Cl 12.4PredN
ClC1(Cl)CNO16570127.952C2H3Cl2NO4,4-dichloro-1,2-oxazetidineN96ClC1(Cl)CNO1InChI=1S/C2H3Cl2NO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=WNHBEXPAGWNXTH-UHFFFAOYSA-N138.1Ex 138.05(BP est) 17.92(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CNO1 17.9PredN
NOC(Cl)=CCl6571127.952C2H3Cl2NOO-(1,2-dichlorovinyl)hydroxylamineN96NOC(Cl)=CClInChI=1S/C2H3Cl2NO/c3-1-2(4)6-5/h1H,5H2InChIKey=ONOBACFUICDARO-UHFFFAOYSA-N136.5Ex 136.50(BP est) -24.27(MP est) ----(BP exp) ----(MP exp) NOC(Cl)=CCl -24.3PredN
NOC=C(Cl)Cl6572127.952C2H3Cl2NOO-(2,2-dichlorovinyl)hydroxylamineN96NOC=C(Cl)ClInChI=1S/C2H3Cl2NO/c3-2(4)1-6-5/h1H,5H2InChIKey=SAXRQTMEZZNGMT-UHFFFAOYSA-N136.5Ex 136.50(BP est) -24.27(MP est) ----(BP exp) ----(MP exp) NOC=C(Cl)Cl -24.3PredN
CN(C(Cl)Cl)C6575127.996C3H7Cl2N1,1-dichloro-N,N-dimethylmethanamineN136CN(C(Cl)Cl)CInChI=1S/C3H7Cl2N/c1-6(2)3(4)5/h3H,1-2H3InChIKey=KAQZLBUKJWXEJC-UHFFFAOYSA-N111.3Ex 111.30(BP est) -60.48(MP est) ----(BP exp) ----(MP exp) CN(C(Cl)Cl)C -60.5PredN
CNC(Cl)(C)Cl6576127.996C3H7Cl2N1,1-dichloro-N-methylethan-1-amineN136CNC(Cl)(C)ClInChI=1S/C3H7Cl2N/c1-3(4,5)6-2/h6H,1-2H3InChIKey=GNONIZBXSIEZHT-UHFFFAOYSA-N97.3Ex 97.29(BP est) -45.76(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(C)Cl -45.8PredN
NC(Cl)(CC)Cl6577127.996C3H7Cl2N1,1-dichloropropan-1-amineN136NC(Cl)(CC)ClInChI=1S/C3H7Cl2N/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=PFBXDEHEOJUWDI-UHFFFAOYSA-N115.9Ex 115.88(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CC)Cl -25PredN
NC(C(Cl)Cl)C6578127.996C3H7Cl2N1,1-dichloropropan-2-amineN136NC(C(Cl)Cl)CInChI=1S/C3H7Cl2N/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=DXICPRLUGDKOCJ-UHFFFAOYSA-N136.2Ex 136.19(BP est) -35.32(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)Cl)C -35.3PredN
CNC(CCl)Cl6579127.996C3H7Cl2N1,2-dichloro-N-methylethan-1-amineN136CNC(CCl)ClInChI=1S/C3H7Cl2N/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=OASCXSSTGHFCCG-UHFFFAOYSA-N144.4Ex 144.42(BP est) -40.71(MP est) ----(BP exp) ----(MP exp) CNC(CCl)Cl -40.7PredN
NC(C(C)Cl)Cl6580127.996C3H7Cl2N1,2-dichloropropan-1-amineN136NC(C(C)Cl)ClInChI=1S/C3H7Cl2N/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=XVTQITHYMMTPSW-UHFFFAOYSA-N136.2Ex 136.19(BP est) -35.32(MP est) ----(BP exp) ----(MP exp) NC(C(C)Cl)Cl -35.3PredN
NC(C)(CCl)Cl6581127.996C3H7Cl2N1,2-dichloropropan-2-amineN136NC(C)(CCl)ClInChI=1S/C3H7Cl2N/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=UZBIMVIUGUWMEL-UHFFFAOYSA-N140.9Ex 140.88(BP est) -17.74(MP est) ----(BP exp) ----(MP exp) NC(C)(CCl)Cl -17.7PredN
NC(Cl)(CCCl)6582127.996C3H7Cl2N1,3-dichloropropan-1-amineN136NC(Cl)(CCCl)InChI=1S/C3H7Cl2N/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=RGGVYSHVWLOUEE-UHFFFAOYSA-N161.6Ex 161.58(BP est) -20.40(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CCCl) -20.4PredN
NC(CCl)(CCl)6583127.996C3H7Cl2N1,3-dichloropropan-2-amineN136NC(CCl)(CCl)InChI=1S/C3H7Cl2N/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=WEAYBWLPGOFBED-UHFFFAOYSA-N173.2Ex 173.23(BP est) -17.00(MP est) ----(BP exp) ----(MP exp) NC(CCl)(CCl) -17PredN
ClCNC(C)Cl6584127.996C3H7Cl2N1-chloro-N-(chloromethyl)ethan-1-amineN136ClCNC(C)ClInChI=1S/C3H7Cl2N/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=ZQXAZKUTKNWABI-UHFFFAOYSA-N144.4Ex 144.42(BP est) -40.71(MP est) ----(BP exp) ----(MP exp) ClCNC(C)Cl -40.7PredN
CN(CCl)CCl6585127.996C3H7Cl2N1-chloro-N-(chloromethyl)-N-methylmethanamineN136CN(CCl)CClInChI=1S/C3H7Cl2N/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=YUSXGLYXEBLNTO-UHFFFAOYSA-N150.0Ex 149.99(BP est) -41.68(MP est) ----(BP exp) ----(MP exp) CN(CCl)CCl -41.7PredN
CNCC(Cl)Cl6586127.996C3H7Cl2N2,2-dichloro-N-methylethan-1-amineN136CNCC(Cl)ClInChI=1S/C3H7Cl2N/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=GXMBXAFPYICUDZ-UHFFFAOYSA-N132.1Ex 132.12(BP est) -44.30(MP est) ----(BP exp) ----(MP exp) CNCC(Cl)Cl -44.3PredN
NCC(Cl)(C)Cl6587127.996C3H7Cl2N2,2-dichloropropan-1-amineN136NCC(Cl)(C)ClInChI=1S/C3H7Cl2N/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=RQVKFAQGPMKXII-UHFFFAOYSA-N115.9Ex 115.88(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) NCC(Cl)(C)Cl -25PredN
NC(C(Cl)CCl)6588127.996C3H7Cl2N2,3-dichloropropan-1-amineN136NC(C(Cl)CCl)InChI=1S/C3H7Cl2N/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=DUFLYVXGUABHPU-UHFFFAOYSA-N161.6Ex 161.58(BP est) -20.40(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)CCl) -20.4PredN
C(Cl)NC(CCl)6589127.996C3H7Cl2N2-chloro-N-(chloromethyl)ethan-1-amineN136C(Cl)NC(CCl)InChI=1S/C3H7Cl2N/c4-1-2-6-3-5/h6H,1-3H2InChIKey=PAHVGMHUEDEGHU-UHFFFAOYSA-N169.4Ex 169.43(BP est) -25.91(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(CCl) -25.9PredN
NCCC(Cl)Cl6590127.996C3H7Cl2N3,3-dichloropropan-1-amineN136NCCC(Cl)ClInChI=1S/C3H7Cl2N/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=ANEJRNCBRHKGOM-UHFFFAOYSA-N149.7Ex 149.66(BP est) -23.88(MP est) ----(BP exp) ----(MP exp) NCCC(Cl)Cl -23.9PredN
ClC(NCC)Cl6591127.996C3H7Cl2NN-(dichloromethyl)ethanamineN136ClC(NCC)ClInChI=1S/C3H7Cl2N/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=SOOGVZXCWIRAKA-UHFFFAOYSA-N132.1Ex 132.12(BP est) -44.30(MP est) ----(BP exp) ----(MP exp) ClC(NCC)Cl -44.3PredN
O=P(O)(O)CS6595128.082CH5O3PS(mercaptomethyl)phosphonic acidN116O=P(O)(O)CSInChI=1S/CH5O3PS/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)InChIKey=MJZCELCYTRONIX-UHFFFAOYSA-N303.9Ex 303.92(BP est) 30.65(MP est) ----(BP exp) ----(MP exp) O=P(O)(O)CS 30.7PredN
S=P(O)(O)OC6596128.082CH5O3PSO-methyl O,O-dihydrogen phosphorothioateN116S=P(O)(O)OCInChI=1S/CH5O3PS/c1-4-5(2,3)6/h1H3,(H2,2,3,6)InChIKey=BOKOVLFWCAFYHP-UHFFFAOYSA-N261.2Ex 261.19(BP est) -37.89(MP est) ----(BP exp) ----(MP exp) S=P(O)(O)OC -37.9PredN
O=S(=O)(O)CS6597128.16CH4O3S2mercaptomethanesulfonic acidN106O=S(=O)(O)CSInChI=1S/CH4O3S2/c2-6(3,4)1-5/h5H,1H2,(H,2,3,4)InChIKey=DWGGYBRHFHGTBF-UHFFFAOYSA-N277.6Ex 277.57(BP est) 61.78(MP est) ----(BP exp) ----(MP exp) O=S(=O)(O)CS 61.8PredN
O=PC(C)(Cl)F6598128.467C2H3ClFOP(1-chloro-1-fluoroethyl)(oxo)phosphaneN96O=PC(C)(Cl)FInChI=1S/C2H3ClFOP/c1-2(3,4)6-5/h1H3InChIKey=ONWAQWUAXGNNHD-UHFFFAOYSA-N101.1Ex 101.14(BP est) -58.08(MP est) ----(BP exp) ----(MP exp) O=PC(C)(Cl)F -58.1PredN
O=PC(Cl)CF6599128.467C2H3ClFOP(1-chloro-2-fluoroethyl)(oxo)phosphaneN96O=PC(Cl)CFInChI=1S/C2H3ClFOP/c3-2(1-4)6-5/h2H,1H2InChIKey=UVWMXRIKLHJEOH-UHFFFAOYSA-N123.3Ex 123.29(BP est) -60.33(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CF -60.3PredN
O=PC(F)CCl6601128.467C2H3ClFOP(2-chloro-1-fluoroethyl)(oxo)phosphaneN96O=PC(F)CClInChI=1S/C2H3ClFOP/c3-1-2(4)6-5/h2H,1H2InChIKey=ATFZMADSZLGJOC-UHFFFAOYSA-N135.8Ex 135.79(BP est) -56.68(MP est) ----(BP exp) ----(MP exp) O=PC(F)CCl -56.7PredN
O=PCC(Cl)F6603128.467C2H3ClFOP(2-chloro-2-fluoroethyl)(oxo)phosphaneN96O=PCC(Cl)FInChI=1S/C2H3ClFOP/c3-2(4)1-6-5/h2H,1H2InChIKey=HLMSJGBVCCNOEJ-UHFFFAOYSA-N123.3Ex 123.29(BP est) -60.33(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)F -60.3PredN
O=P1C(F)(Cl)C16606128.467C2H3ClFOP2-chloro-2-fluorophosphirane 1-oxideN96O=P1C(F)(Cl)C1InChI=1S/C2H3ClFOP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=KMZVGKCBIGBAGW-UHFFFAOYSA-N112.0Ex 112.01(BP est) -41.62(MP est) ----(BP exp) ----(MP exp) O=P1C(F)(Cl)C1 -41.6PredN
O=P1C(F)C1Cl6608128.467C2H3ClFOP2-chloro-3-fluorophosphirane 1-oxideN96O=P1C(F)C1ClInChI=1S/C2H3ClFOP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=KQPCLMPFNNIVEV-UHFFFAOYSA-N130.2Ex 130.17(BP est) -50.39(MP est) ----(BP exp) ----(MP exp) O=P1C(F)C1Cl -50.4PredN
O=P(C(Cl)C)O6609128.492C2H6ClO2P(1-chloroethyl)phosphinic acidN126O=P(C(Cl)C)OInChI=1S/C2H6ClO2P/c1-2(3)6(4)5/h2,6H,1H3,(H,4,5)InChIKey=YWBMKUFEMIJQKG-UHFFFAOYSA-N214.2Ex 214.21(BP est) -11.85(MP est) ----(BP exp) ----(MP exp) O=P(C(Cl)C)O -11.9PredN
O=P(CCCl)O6611128.492C2H6ClO2P(2-chloroethyl)phosphinic acidN126O=P(CCCl)OInChI=1S/C2H6ClO2P/c3-1-2-6(4)5/h6H,1-2H2,(H,4,5)InChIKey=FQWNBUQAWZFEDJ-UHFFFAOYSA-N235.7Ex 235.74(BP est) 1.93(MP est) ----(BP exp) ----(MP exp) O=P(CCCl)O 1.9PredN
O=P(O)(C)CCl6613128.492C2H6ClO2P(chloromethyl)(methyl)phosphinic acidN126O=P(O)(C)CClInChI=1S/C2H6ClO2P/c1-6(4,5)2-3/h2H2,1H3,(H,4,5)InChIKey=JSTNOFBXLSGIPT-UHFFFAOYSA-N234.1Ex 234.05(BP est) -6.75(MP est) ----(BP exp) ----(MP exp) O=P(O)(C)CCl -6.8PredN
O=P(CCl)OC6614128.492C2H6ClO2Pmethyl (chloromethyl)phosphinateN126O=P(CCl)OCInChI=1S/C2H6ClO2P/c1-5-6(4)2-3/h6H,2H2,1H3InChIKey=DQLYCWYPMBYPEG-UHFFFAOYSA-N167.7Ex 167.69(BP est) -37.23(MP est) ----(BP exp) ----(MP exp) O=P(CCl)OC -37.2PredN
CPC(C)(Cl)F6616128.511C3H7ClFP(1-chloro-1-fluoroethyl)(methyl)phosphaneN136CPC(C)(Cl)FInChI=1S/C3H7ClFP/c1-3(4,5)6-2/h6H,1-2H3InChIKey=VMFZBGPZKVRVRT-UHFFFAOYSA-N55.3Ex 55.32(BP est) -91.51(MP est) ----(BP exp) ----(MP exp) CPC(C)(Cl)F -91.5PredN
PC(CC)(Cl)F6617128.511C3H7ClFP(1-chloro-1-fluoropropyl)phosphaneN136PC(CC)(Cl)FInChI=1S/C3H7ClFP/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=QRQNBBMUYJOETJ-UHFFFAOYSA-N77.0Ex 77.03(BP est) -76.99(MP est) ----(BP exp) ----(MP exp) PC(CC)(Cl)F -77PredN
CPC(Cl)CF6618128.511C3H7ClFP(1-chloro-2-fluoroethyl)(methyl)phosphaneN136CPC(Cl)CFInChI=1S/C3H7ClFP/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=XBJAOWXRNOQPTI-UHFFFAOYSA-N79.1Ex 79.05(BP est) -93.29(MP est) ----(BP exp) ----(MP exp) CPC(Cl)CF -93.3PredN
PC(Cl)C(F)C6619128.511C3H7ClFP(1-chloro-2-fluoropropyl)phosphaneN136PC(Cl)C(F)CInChI=1S/C3H7ClFP/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=YPSOSZZHXBZMOJ-UHFFFAOYSA-N85.4Ex 85.38(BP est) -90.76(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(F)C -90.8PredN
PC(Cl)CCF6620128.511C3H7ClFP(1-chloro-3-fluoropropyl)phosphaneN136PC(Cl)CCFInChI=1S/C3H7ClFP/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=BVLPZPVFKGHHKK-UHFFFAOYSA-N100.0Ex 100.03(BP est) -78.98(MP est) ----(BP exp) ----(MP exp) PC(Cl)CCF -79PredN
FCPC(Cl)C6621128.511C3H7ClFP(1-chloroethyl)(fluoromethyl)phosphaneN136FCPC(Cl)CInChI=1S/C3H7ClFP/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=CGWMQTAYAPCELL-UHFFFAOYSA-N79.1Ex 79.05(BP est) -93.29(MP est) ----(BP exp) ----(MP exp) FCPC(Cl)C -93.3PredN
CPC(F)CCl6622128.511C3H7ClFP(2-chloro-1-fluoroethyl)(methyl)phosphaneN136CPC(F)CClInChI=1S/C3H7ClFP/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=HQOUHAURFXDVAC-UHFFFAOYSA-N92.5Ex 92.45(BP est) -89.38(MP est) ----(BP exp) ----(MP exp) CPC(F)CCl -89.4PredN
PC(F)C(Cl)C6623128.511C3H7ClFP(2-chloro-1-fluoropropyl)phosphaneN136PC(F)C(Cl)CInChI=1S/C3H7ClFP/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=GZXWANBMIDUKRZ-UHFFFAOYSA-N85.4Ex 85.38(BP est) -90.76(MP est) ----(BP exp) ----(MP exp) PC(F)C(Cl)C -90.8PredN
CPCC(Cl)F6624128.511C3H7ClFP(2-chloro-2-fluoroethyl)(methyl)phosphaneN136CPCC(Cl)FInChI=1S/C3H7ClFP/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=TYWIALWXOSSIHF-UHFFFAOYSA-N79.1Ex 79.05(BP est) -93.29(MP est) ----(BP exp) ----(MP exp) CPCC(Cl)F -93.3PredN
PCC(C)(Cl)F6625128.511C3H7ClFP(2-chloro-2-fluoropropyl)phosphaneN136PCC(C)(Cl)FInChI=1S/C3H7ClFP/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=GCXTZAYTMJEJLH-UHFFFAOYSA-N77.0Ex 77.03(BP est) -76.99(MP est) ----(BP exp) ----(MP exp) PCC(C)(Cl)F -77PredN
PCC(Cl)CF6626128.511C3H7ClFP(2-chloro-3-fluoropropyl)phosphaneN136PCC(Cl)CFInChI=1S/C3H7ClFP/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=SWOSXAZWENRTJL-UHFFFAOYSA-N100.0Ex 100.03(BP est) -78.98(MP est) ----(BP exp) ----(MP exp) PCC(Cl)CF -79PredN
FCPCCCl6627128.511C3H7ClFP(2-chloroethyl)(fluoromethyl)phosphaneN136FCPCCClInChI=1S/C3H7ClFP/c4-1-2-6-3-5/h6H,1-3H2InChIKey=FHQYZNGYZXWHRC-UHFFFAOYSA-N106.9Ex 106.94(BP est) -77.65(MP est) ----(BP exp) ----(MP exp) FCPCCCl -77.7PredN
PC(F)CCCl6628128.511C3H7ClFP(3-chloro-1-fluoropropyl)phosphaneN136PC(F)CCClInChI=1S/C3H7ClFP/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=QUMHGLFUBNCXSH-UHFFFAOYSA-N113.0Ex 113.01(BP est) -75.19(MP est) ----(BP exp) ----(MP exp) PC(F)CCCl -75.2PredN
PCC(F)CCl6629128.511C3H7ClFP(3-chloro-2-fluoropropyl)phosphaneN136PCC(F)CClInChI=1S/C3H7ClFP/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=BJEOIQDRFQLTFF-UHFFFAOYSA-N113.0Ex 113.01(BP est) -75.19(MP est) ----(BP exp) ----(MP exp) PCC(F)CCl -75.2PredN
PCCC(Cl)F6630128.511C3H7ClFP(3-chloro-3-fluoropropyl)phosphaneN136PCCC(Cl)FInChI=1S/C3H7ClFP/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=GPFYRQMCPNGAKB-UHFFFAOYSA-N100.0Ex 100.03(BP est) -78.98(MP est) ----(BP exp) ----(MP exp) PCCC(Cl)F -79PredN
ClC(PCC)F6631128.511C3H7ClFP(chlorofluoromethyl)(ethyl)phosphaneN136ClC(PCC)FInChI=1S/C3H7ClFP/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=FUAQFEWJDQHEQW-UHFFFAOYSA-N79.1Ex 79.05(BP est) -93.29(MP est) ----(BP exp) ----(MP exp) ClC(PCC)F -93.3PredN
CP(C)C(Cl)F6632128.511C3H7ClFP(chlorofluoromethyl)dimethylphosphaneN136CP(C)C(Cl)FInChI=1S/C3H7ClFP/c1-6(2)3(4)5/h3H,1-2H3InChIKey=XYFMTMBIQGXTSI-UHFFFAOYSA-N80.0Ex 80.04(BP est) -93.69(MP est) ----(BP exp) ----(MP exp) CP(C)C(Cl)F -93.7PredN
ClCPC(F)C6633128.511C3H7ClFP(chloromethyl)(1-fluoroethyl)phosphaneN136ClCPC(F)CInChI=1S/C3H7ClFP/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=QGRSNGYLWFQTJL-UHFFFAOYSA-N92.5Ex 92.45(BP est) -89.38(MP est) ----(BP exp) ----(MP exp) ClCPC(F)C -89.4PredN
ClCPCCF6634128.511C3H7ClFP(chloromethyl)(2-fluoroethyl)phosphaneN136ClCPCCFInChI=1S/C3H7ClFP/c4-3-6-2-1-5/h6H,1-3H2InChIKey=ULABDNAPJDBIQS-UHFFFAOYSA-N106.9Ex 106.94(BP est) -77.65(MP est) ----(BP exp) ----(MP exp) ClCPCCF -77.7PredN
CP(CCl)CF6635128.511C3H7ClFP(chloromethyl)(fluoromethyl)(methyl)phosphaneN136CP(CCl)CFInChI=1S/C3H7ClFP/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=ICGZVBHRTCIWJZ-UHFFFAOYSA-N107.9Ex 107.89(BP est) -78.06(MP est) ----(BP exp) ----(MP exp) CP(CCl)CF -78.1PredN
F[Si]1(CC1Cl)F6636128.578C2H3ClF2Si2-chloro-1,1-difluorosiliraneN96F[Si]1(CC1Cl)FInChI=1S/C2H3ClF2Si/c3-2-1-6(2,4)5/h2H,1H2InChIKey=DPJMGUGNUFRRJU-UHFFFAOYSA-N14.2Ex 14.19(BP est) -62.41(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1Cl)F -62.4PredN
CSC(Cl)(F)(C)6637128.589C3H6ClFS(1-chloro-1-fluoroethyl)(methyl)sulfaneN126CSC(Cl)(F)(C)InChI=1S/C3H6ClFS/c1-3(4,5)6-2/h1-2H3InChIKey=IVRPVYMFSLDWKU-UHFFFAOYSA-N85.3Ex 85.27(BP est) -73.07(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(F)(C) -73.1PredN
CSC(Cl)(CF)6638128.589C3H6ClFS(1-chloro-2-fluoroethyl)(methyl)sulfaneN126CSC(Cl)(CF)InChI=1S/C3H6ClFS/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=ICBWZJZOXVRRHD-UHFFFAOYSA-N108.0Ex 107.98(BP est) -75.15(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(CF) -75.2PredN
C(F)SC(Cl)(C)6639128.589C3H6ClFS(1-chloroethyl)(fluoromethyl)sulfaneN126C(F)SC(Cl)(C)InChI=1S/C3H6ClFS/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=HSJKIVNWBJGCLO-UHFFFAOYSA-N108.0Ex 107.98(BP est) -75.15(MP est) ----(BP exp) ----(MP exp) C(F)SC(Cl)(C) -75.2PredN
CSC(F)(CCl)6640128.589C3H6ClFS(2-chloro-1-fluoroethyl)(methyl)sulfaneN126CSC(F)(CCl)InChI=1S/C3H6ClFS/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=XHJOYUHLVYVUIJ-UHFFFAOYSA-N120.8Ex 120.80(BP est) -71.40(MP est) ----(BP exp) ----(MP exp) CSC(F)(CCl) -71.4PredN
CSC(C(Cl)F)6641128.589C3H6ClFS(2-chloro-2-fluoroethyl)(methyl)sulfaneN126CSC(C(Cl)F)InChI=1S/C3H6ClFS/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=XSBWUEYZBQHWSW-UHFFFAOYSA-N108.0Ex 107.98(BP est) -75.15(MP est) ----(BP exp) ----(MP exp) CSC(C(Cl)F) -75.2PredN
C(F)SC(CCl)6642128.589C3H6ClFS(2-chloroethyl)(fluoromethyl)sulfaneN126C(F)SC(CCl)InChI=1S/C3H6ClFS/c4-1-2-6-3-5/h1-3H2InChIKey=QVOHYZJSTIDVBB-UHFFFAOYSA-N134.6Ex 134.64(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) C(F)SC(CCl) -59.9PredN
C(Cl)(F)SC(C)6643128.589C3H6ClFS(chlorofluoromethyl)(ethyl)sulfaneN126C(Cl)(F)SC(C)InChI=1S/C3H6ClFS/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=XYJTVRULAXAAOY-UHFFFAOYSA-N108.0Ex 107.98(BP est) -75.15(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)SC(C) -75.2PredN
C(Cl)SC(F)(C)6644128.589C3H6ClFS(chloromethyl)(1-fluoroethyl)sulfaneN126C(Cl)SC(F)(C)InChI=1S/C3H6ClFS/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=CVWDPIWVNLKAKZ-UHFFFAOYSA-N120.8Ex 120.80(BP est) -71.40(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(F)(C) -71.4PredN
C(Cl)SC(CF)6645128.589C3H6ClFS(chloromethyl)(2-fluoroethyl)sulfaneN126C(Cl)SC(CF)InChI=1S/C3H6ClFS/c4-3-6-2-1-5/h1-3H2InChIKey=INBAVXKHERQPLC-UHFFFAOYSA-N134.6Ex 134.64(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(CF) -59.9PredN
SC(Cl)(F)(CC)6646128.589C3H6ClFS1-chloro-1-fluoropropane-1-thiolN126SC(Cl)(F)(CC)InChI=1S/C3H6ClFS/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=OXHTZIVIWAQHRO-UHFFFAOYSA-N99.9Ex 99.85(BP est) -67.78(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(CC) -67.8PredN
SC(C)(C(Cl)F)6647128.589C3H6ClFS1-chloro-1-fluoropropane-2-thiolN126SC(C)(C(Cl)F)InChI=1S/C3H6ClFS/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=WCDCUCLCOZZPAO-UHFFFAOYSA-N107.9Ex 107.91(BP est) -81.64(MP est) ----(BP exp) ----(MP exp) SC(C)(C(Cl)F) -81.6PredN
SC(Cl)(C(F)C)6648128.589C3H6ClFS1-chloro-2-fluoropropane-1-thiolN126SC(Cl)(C(F)C)InChI=1S/C3H6ClFS/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=VOGJDHBUHOVDSQ-UHFFFAOYSA-N107.9Ex 107.91(BP est) -81.64(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(F)C) -81.6PredN
SC(F)(C)(CCl)6649128.589C3H6ClFS1-chloro-2-fluoropropane-2-thiolN126SC(F)(C)(CCl)InChI=1S/C3H6ClFS/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=IXQWTBDHVKRBIH-UHFFFAOYSA-N125.5Ex 125.51(BP est) -60.29(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(CCl) -60.3PredN
SC(Cl)(CCF)6650128.589C3H6ClFS1-chloro-3-fluoropropane-1-thiolN126SC(Cl)(CCF)InChI=1S/C3H6ClFS/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=LHROFEXNHKYEJQ-UHFFFAOYSA-N122.1Ex 122.05(BP est) -70.01(MP est) ----(BP exp) ----(MP exp) SC(Cl)(CCF) -70PredN
SC(CCl)(CF)6651128.589C3H6ClFS1-chloro-3-fluoropropane-2-thiolN126SC(CCl)(CF)InChI=1S/C3H6ClFS/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=FHFLTXFHTVOJEY-UHFFFAOYSA-N134.6Ex 134.57(BP est) -66.35(MP est) ----(BP exp) ----(MP exp) SC(CCl)(CF) -66.4PredN
SC(F)(C(Cl)C)6652128.589C3H6ClFS2-chloro-1-fluoropropane-1-thiolN126SC(F)(C(Cl)C)InChI=1S/C3H6ClFS/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=GJSUNECCQDDCOB-UHFFFAOYSA-N107.9Ex 107.91(BP est) -81.64(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Cl)C) -81.6PredN
SC(Cl)(C)(CF)6653128.589C3H6ClFS2-chloro-1-fluoropropane-2-thiolN126SC(Cl)(C)(CF)InChI=1S/C3H6ClFS/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=HKNABXNEKPLPBO-UHFFFAOYSA-N99.9Ex 99.85(BP est) -67.78(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C)(CF) -67.8PredN
SC(C(Cl)(F)C)6654128.589C3H6ClFS2-chloro-2-fluoropropane-1-thiolN126SC(C(Cl)(F)C)InChI=1S/C3H6ClFS/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=IKDKMGVJLRKVFS-UHFFFAOYSA-N99.9Ex 99.85(BP est) -67.78(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)(F)C) -67.8PredN
SC(C(Cl)CF)6655128.589C3H6ClFS2-chloro-3-fluoropropane-1-thiolN126SC(C(Cl)CF)InChI=1S/C3H6ClFS/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=GBRVQRRSCVETHW-UHFFFAOYSA-N122.1Ex 122.05(BP est) -70.01(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)CF) -70PredN
SC(F)(CCCl)6656128.589C3H6ClFS3-chloro-1-fluoropropane-1-thiolN126SC(F)(CCCl)InChI=1S/C3H6ClFS/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=ZRHZHZGAPBNTCC-UHFFFAOYSA-N134.6Ex 134.57(BP est) -66.35(MP est) ----(BP exp) ----(MP exp) SC(F)(CCCl) -66.4PredN
SC(C(F)CCl)6657128.589C3H6ClFS3-chloro-2-fluoropropane-1-thiolN126SC(C(F)CCl)InChI=1S/C3H6ClFS/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=XNZVIKWVOYKZMP-UHFFFAOYSA-N134.6Ex 134.57(BP est) -66.35(MP est) ----(BP exp) ----(MP exp) SC(C(F)CCl) -66.4PredN
SC(CC(Cl)F)6658128.589C3H6ClFS3-chloro-3-fluoropropane-1-thiolN126SC(CC(Cl)F)InChI=1S/C3H6ClFS/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=KYHNOAIAFFQSEU-UHFFFAOYSA-N122.1Ex 122.05(BP est) -70.01(MP est) ----(BP exp) ----(MP exp) SC(CC(Cl)F) -70PredN
F[Si](CCl)(O)C6659128.602C2H6ClFOSi(chloromethyl)fluoro(methyl)silanolN126F[Si](CCl)(O)CInChI=1S/C2H6ClFOSi/c1-6(4,5)2-3/h5H,2H2,1H3InChIKey=FTCQMPQWAQPQIE-UHFFFAOYSA-N147.9Ex 147.88(BP est) -44.49(MP est) ----(BP exp) ----(MP exp) F[Si](CCl)(O)C -44.5PredN
CSSC(Cl)6660128.632C2H5ClS21-(chloromethyl)-2-methyldisulfaneN105CSSC(Cl)InChI=1S/C2H5ClS2/c1-4-5-2-3/h2H2,1H3InChIKey=MWNBAQLHBWVAEY-UHFFFAOYSA-N173.3Ex 173.34(BP est) -37.29(MP est) ----(BP exp) ----(MP exp) CSSC(Cl) -37.3PredN
PC(Cl)=CCl6666128.92C2H3Cl2P(1,2-dichlorovinyl)phosphaneN85PC(Cl)=CClInChI=1S/C2H3Cl2P/c3-1-2(4)5/h1H,5H2InChIKey=NPYCDMQGVHCXNJ-UHFFFAOYSA-N109.7Ex 109.72(BP est) -69.14(MP est) ----(BP exp) ----(MP exp) PC(Cl)=CCl -69.1PredN
PC=C(Cl)Cl6667128.92C2H3Cl2P(2,2-dichlorovinyl)phosphaneN85PC=C(Cl)ClInChI=1S/C2H3Cl2P/c3-2(4)1-5/h1H,5H2InChIKey=NFLBXEMHFUDAJI-UHFFFAOYSA-N109.7Ex 109.72(BP est) -69.14(MP est) ----(BP exp) ----(MP exp) PC=C(Cl)Cl -69.1PredN
ClC1(Cl)CP16668128.92C2H3Cl2P2,2-dichlorophosphiraneN85ClC1(Cl)CP1InChI=1S/C2H3Cl2P/c3-2(4)1-5-2/h5H,1H2InChIKey=CTPIKMBQSVCCIF-UHFFFAOYSA-N81.5Ex 81.52(BP est) -53.36(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CP1 -53.4PredN
ClC1C(Cl)P16669128.92C2H3Cl2P2,3-dichlorophosphiraneN85ClC1C(Cl)P1InChI=1S/C2H3Cl2P/c3-1-2(4)5-1/h1-2,5HInChIKey=LODWJJAJLMSDPW-UHFFFAOYSA-N113.5Ex 113.50(BP est) -58.09(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)P1 -58.1PredN
OC(Br)(F)6670128.928CH2BrFObromofluoromethanolN64OC(Br)(F)InChI=1S/CH2BrFO/c2-1(3)4/h1,4HInChIKey=XTSHWNYMMJMUFB-UHFFFAOYSA-N100.0Ex 99.98(BP est) -60.60(MP est) ----(BP exp) ----(MP exp) OC(Br)(F) -60.6PredN
OC(=O)C(Cl)(Cl)6671128.936C2H2Cl2O22,2-dichloroacetic acidN86OC(=O)C(Cl)(Cl)InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=JXTHNDFMNIQAHM-UHFFFAOYSA-N193.7Ex 201.10(BP est) 24.17(MP est) 194.00(BP exp) 198.00(MP exp) OC(=O)C(Cl)(Cl) 198ExptY(Kladi et al. 2004)
C(C1F)(C1(Cl)Cl)6672128.955C3H3Cl2F1,1-dichloro-2-fluorocyclopropaneN96C(C1F)(C1(Cl)Cl)InChI=1S/C3H3Cl2F/c4-3(5)1-2(3)6/h2H,1H2InChIKey=WWSOZWWXLBOFEY-UHFFFAOYSA-N62.1Ex 62.12(BP est) -64.47(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(Cl)Cl) -64.5PredN
C(C(F)=C(Cl)Cl)6673128.955C3H3Cl2F1,1-dichloro-2-fluoroprop-1-eneN96C(C(F)=C(Cl)Cl)InChI=1S/C3H3Cl2F/c1-2(6)3(4)5/h1H3InChIKey=BJSMMNZAHNXJCF-UHFFFAOYSA-N78.0Ex 68.00(BP est) -98.06(MP est) 78.00(BP exp) ----(MP exp) C(C(F)=C(Cl)Cl) -98.1PredN
C(F)(C=C(Cl)Cl)6674128.955C3H3Cl2F1,1-dichloro-3-fluoroprop-1-eneN96C(F)(C=C(Cl)Cl)InChI=1S/C3H3Cl2F/c4-3(5)1-2-6/h1H,2H2InChIKey=CFRWPQRSFMXLSL-UHFFFAOYSA-N74.8Ex 74.84(BP est) -89.08(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(Cl)Cl) -89.1PredN
C(C1Cl)(C1(Cl)F)6675128.955C3H3Cl2F1,2-dichloro-1-fluorocyclopropaneN96C(C1Cl)(C1(Cl)F)InChI=1S/C3H3Cl2F/c4-2-1-3(2,5)6/h2H,1H2InChIKey=VEJMMROZWJZADU-UHFFFAOYSA-N75.8Ex 75.82(BP est) -60.48(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1(Cl)F) -60.5PredN
C(C(Cl)=C(Cl)F)6676128.955C3H3Cl2F1,2-dichloro-1-fluoroprop-1-eneN96C(C(Cl)=C(Cl)F)InChI=1S/C3H3Cl2F/c1-2(4)3(5)6/h1H3InChIKey=FHOMEEJDPLXSBF-UHFFFAOYSA-N68.0Ex 68.00(BP est) -98.06(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=C(Cl)F) -98.1PredN
C(Cl)(C1Cl)(C1F)6677128.955C3H3Cl2F1,2-dichloro-3-fluorocyclopropaneN96C(Cl)(C1Cl)(C1F)InChI=1S/C3H3Cl2F/c4-1-2(5)3(1)6/h1-3HInChIKey=CSIPNQMCUJFVHF-UHFFFAOYSA-N95.0Ex 95.03(BP est) -68.94(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1Cl)(C1F) -68.9PredN
C(F)(C(Cl)=CCl)6678128.955C3H3Cl2F1,2-dichloro-3-fluoroprop-1-eneN96C(F)(C(Cl)=CCl)InChI=1S/C3H3Cl2F/c4-1-3(5)2-6/h1H,2H2InChIKey=IUYFDVGIOHLHLP-UHFFFAOYSA-N74.8Ex 74.84(BP est) -89.08(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)=CCl) -89.1PredN
C(Cl)(C=C(Cl)F)6679128.955C3H3Cl2F1,3-dichloro-1-fluoroprop-1-eneN96C(Cl)(C=C(Cl)F)InChI=1S/C3H3Cl2F/c4-2-1-3(5)6/h1H,2H2InChIKey=YCYPXGHNVSBFPT-UHFFFAOYSA-N103.6Ex 103.63(BP est) -80.68(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(Cl)F) -80.7PredN
C(Cl)(C(F)=CCl)6680128.955C3H3Cl2F1,3-dichloro-2-fluoroprop-1-eneN96C(Cl)(C(F)=CCl)InChI=1S/C3H3Cl2F/c4-1-3(6)2-5/h1H,2H2InChIKey=UOWMUKKIQAYYOV-UHFFFAOYSA-N117.8Ex 103.63(BP est) -80.68(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)=CCl) -80.7PredN
C(Cl)(F)(C=CCl)6681128.955C3H3Cl2F1,3-dichloro-3-fluoroprop-1-eneN96C(Cl)(F)(C=CCl)InChI=1S/C3H3Cl2F/c4-2-1-3(5)6/h1-3HInChIKey=WQJCWUAJWHDGJX-UHFFFAOYSA-N82.4Ex 82.36(BP est) -87.41(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C=CCl) -87.4PredN
C(Cl)(C(Cl)=CF)6682128.955C3H3Cl2F2,3-dichloro-1-fluoroprop-1-eneN96C(Cl)(C(Cl)=CF)InChI=1S/C3H3Cl2F/c4-1-3(5)2-6/h2H,1H2InChIKey=HBBBOFWPOQAXQS-UHFFFAOYSA-N103.6Ex 103.63(BP est) -80.68(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)=CF) -80.7PredN
C(Cl)(F)(C(Cl)=C)6683128.955C3H3Cl2F2,3-dichloro-3-fluoroprop-1-eneN96C(Cl)(F)(C(Cl)=C)InChI=1S/C3H3Cl2F/c1-2(4)3(5)6/h3H,1H2InChIKey=XPDVNQBYWLOAME-UHFFFAOYSA-N66.0Ex 65.98(BP est) -97.51(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(Cl)=C) -97.5PredN
C(Cl)(Cl)(C=CF)6684128.955C3H3Cl2F3,3-dichloro-1-fluoroprop-1-eneN96C(Cl)(Cl)(C=CF)InChI=1S/C3H3Cl2F/c4-3(5)1-2-6/h1-3HInChIKey=XDRSABHHPBAYKT-UHFFFAOYSA-N97.8Ex 97.80(BP est) -82.90(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C=CF) -82.9PredN
C(Cl)(Cl)(C(F)=C)6685128.955C3H3Cl2F3,3-dichloro-2-fluoroprop-1-eneN96C(Cl)(Cl)(C(F)=C)InChI=1S/C3H3Cl2F/c1-2(6)3(4)5/h3H,1H2InChIKey=MOLIYEMMBMKMPB-UHFFFAOYSA-N81.8Ex 81.80(BP est) -92.89(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(F)=C) -92.9PredN
C(Cl)(Cl)(F)(C=C)6686128.955C3H3Cl2F3,3-dichloro-3-fluoroprop-1-eneN96C(Cl)(Cl)(F)(C=C)InChI=1S/C3H3Cl2F/c1-2-3(4,5)6/h2H,1H2InChIKey=FIROAKDNSCQSTG-UHFFFAOYSA-N51.2Ex 51.20(BP est) -86.13(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(F)(C=C) -86.1PredN
C#CC#CBr6687128.956C4HBr1-bromobuta-1,3-diyneN65C#CC#CBrInChI=1S/C4HBr/c1-2-3-4-5/h1HInChIKey=YTIPSWQGFYSLMS-UHFFFAOYSA-N127.2Ex 127.21(BP est) 17.58(MP est) ----(BP exp) ----(MP exp) C#CC#CBr 17.6PredN
ClC(OCC)Cl6689128.98C3H6Cl2O(dichloromethoxy)ethaneN126ClC(OCC)ClInChI=1S/C3H6Cl2O/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=MJNJTZVLAVUIDU-UHFFFAOYSA-N112.9Ex 112.88(BP est) -65.14(MP est) ----(BP exp) ----(MP exp) ClC(OCC)Cl -65.1PredN
COC(Cl)(C)Cl6690128.98C3H6Cl2O1,1-dichloro-1-methoxyethaneN126COC(Cl)(C)ClInChI=1S/C3H6Cl2O/c1-3(4,5)6-2/h1-2H3InChIKey=ASXWDPUCYBGLRG-UHFFFAOYSA-N76.9Ex 76.94(BP est) -66.92(MP est) ----(BP exp) ----(MP exp) COC(Cl)(C)Cl -66.9PredN
COCC(Cl)Cl6691128.98C3H6Cl2O1,1-dichloro-2-methoxyethaneN126COCC(Cl)ClInChI=1S/C3H6Cl2O/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=QUCLHUUEEKVBGT-UHFFFAOYSA-N112.9Ex 112.88(BP est) -65.14(MP est) ----(BP exp) ----(MP exp) COCC(Cl)Cl -65.1PredN
OC(Cl)(CC)Cl6692128.98C3H6Cl2O1,1-dichloropropan-1-olN126OC(Cl)(CC)ClInChI=1S/C3H6Cl2O/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=XEPXTKKIWBPAEG-UHFFFAOYSA-N122.9Ex 122.94(BP est) -34.19(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CC)Cl -34.2PredN
OC(C(Cl)Cl)C6693128.98C3H6Cl2O1,1-dichloropropan-2-olN126OC(C(Cl)Cl)CInChI=1S/C3H6Cl2O/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=ZOKHGHDRKCYWTH-UHFFFAOYSA-N153.3Ex 153.34(BP est) -41.53(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)Cl)C -41.5PredN
COC(CCl)Cl6694128.98C3H6Cl2O1,2-dichloro-1-methoxyethaneN126COC(CCl)ClInChI=1S/C3H6Cl2O/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=LXEOQHPAKLYXTH-UHFFFAOYSA-N125.6Ex 125.59(BP est) -61.42(MP est) ----(BP exp) ----(MP exp) COC(CCl)Cl -61.4PredN
OC(C(C)Cl)Cl6695128.98C3H6Cl2O1,2-dichloropropan-1-olN126OC(C(C)Cl)ClInChI=1S/C3H6Cl2O/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=FLTSEOGWHPJWRV-UHFFFAOYSA-N153.3Ex 153.34(BP est) -41.53(MP est) ----(BP exp) ----(MP exp) OC(C(C)Cl)Cl -41.5PredN
OC(C)(CCl)Cl6696128.98C3H6Cl2O1,2-dichloropropan-2-olN126OC(C)(CCl)ClInChI=1S/C3H6Cl2O/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=QEZDCTNHTRSNMD-UHFFFAOYSA-N147.6Ex 147.63(BP est) -26.98(MP est) ----(BP exp) ----(MP exp) OC(C)(CCl)Cl -27PredN
OC(Cl)(CCCl)6697128.98C3H6Cl2O1,3-dichloropropan-1-olN126OC(Cl)(CCCl)InChI=1S/C3H6Cl2O/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=IFDLXKQSUOWIBO-UHFFFAOYSA-N177.9Ex 177.93(BP est) -26.85(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CCCl) -26.9PredN
OC(CCl)(CCl)6698128.98C3H6Cl2O1,3-dichloropropan-2-olN126OC(CCl)(CCl)InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=DEWLEGDTCGBNGU-UHFFFAOYSA-N174.2Ex 189.20(BP est) -23.56(MP est) 176.00(BP exp) -4.00(MP exp) OC(CCl)(CCl) -4ExptN
ClCOC(C)Cl6699128.98C3H6Cl2O1-chloro-1-(chloromethoxy)ethaneN126ClCOC(C)ClInChI=1S/C3H6Cl2O/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=ZQKBBGASXINNRI-UHFFFAOYSA-N107.5Ex 125.59(BP est) -61.42(MP est) ----(BP exp) ----(MP exp) ClCOC(C)Cl -61.4PredN
ClCOCCCl6700128.98C3H6Cl2O1-chloro-2-(chloromethoxy)ethaneN126ClCOCCClInChI=1S/C3H6Cl2O/c4-1-2-6-3-5/h1-3H2InChIKey=LUTWEKBTDWRTSE-UHFFFAOYSA-N52.5Ex 151.46(BP est) -46.37(MP est) ----(BP exp) ----(MP exp) ClCOCCCl -46.4PredN
OCC(Cl)(C)Cl6701128.98C3H6Cl2O2,2-dichloropropan-1-olN126OCC(Cl)(C)ClInChI=1S/C3H6Cl2O/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=AMGNSVRCBYCLGN-UHFFFAOYSA-N77.9Ex 140.95(BP est) -28.94(MP est) ----(BP exp) ----(MP exp) OCC(Cl)(C)Cl -28.9PredN
OC(C(Cl)CCl)6702128.98C3H6Cl2O2,3-dichloropropan-1-olN126OC(C(Cl)CCl)InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=ZXCYIJGIGSDJQQ-UHFFFAOYSA-N181.3Ex 184.64(BP est) -24.89(MP est) 184.00(BP exp) ----(MP exp) OC(C(Cl)CCl) -24.9PredN
OC(CC(Cl)Cl)6703128.98C3H6Cl2O3,3-dichloropropan-1-olN126OC(CC(Cl)Cl)InChI=1S/C3H6Cl2O/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=PUNGDGIPJMLONU-UHFFFAOYSA-N173.3Ex 173.26(BP est) -28.21(MP est) ----(BP exp) ----(MP exp) OC(CC(Cl)Cl) -28.2PredN
NNC(Cl)(C)Cl6704128.984C2H6Cl2N2(1,1-dichloroethyl)hydrazineN126NNC(Cl)(C)ClInChI=1S/C2H6Cl2N2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=JAYYDFSWXWXXKK-UHFFFAOYSA-N135.9Ex 135.91(BP est) 1.51(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(C)Cl 1.5PredN
NNC(Cl)(CCl)6705128.984C2H6Cl2N2(1,2-dichloroethyl)hydrazineN126NNC(Cl)(CCl)InChI=1S/C2H6Cl2N2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=VFAQGDXHSDMBRX-UHFFFAOYSA-N180.0Ex 180.01(BP est) 5.67(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(CCl) 5.7PredN
NNC(C(Cl)Cl)6706128.984C2H6Cl2N2(2,2-dichloroethyl)hydrazineN126NNC(C(Cl)Cl)InChI=1S/C2H6Cl2N2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=UQDUVRCFBJSLPO-UHFFFAOYSA-N168.5Ex 168.52(BP est) 2.32(MP est) ----(BP exp) ----(MP exp) NNC(C(Cl)Cl) 2.3PredN
CN(N)C(Cl)Cl6707128.984C2H6Cl2N21-(dichloromethyl)-1-methylhydrazineN126CN(N)C(Cl)ClInChI=1S/C2H6Cl2N2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=HYPGYMPGBSIXQS-UHFFFAOYSA-N149.0Ex 149.04(BP est) -13.46(MP est) ----(BP exp) ----(MP exp) CN(N)C(Cl)Cl -13.5PredN
CNNC(Cl)Cl6708128.984C2H6Cl2N21-(dichloromethyl)-2-methylhydrazineN126CNNC(Cl)ClInChI=1S/C2H6Cl2N2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=YPKBLHIFOYGHFJ-UHFFFAOYSA-N151.6Ex 151.59(BP est) -17.92(MP est) ----(BP exp) ----(MP exp) CNNC(Cl)Cl -17.9PredN
C(Cl)N(C(Cl))N6709128.984C2H6Cl2N21,1-bis(chloromethyl)hydrazineN126C(Cl)N(C(Cl))NInChI=1S/C2H6Cl2N2/c3-1-6(5)2-4/h1-2,5H2InChIKey=LRVNMXKGOWBGBU-UHFFFAOYSA-N185.2Ex 185.20(BP est) 4.59(MP est) ----(BP exp) ----(MP exp) C(Cl)N(C(Cl))N 4.6PredN
C(Cl)NNC(Cl)6710128.984C2H6Cl2N21,2-bis(chloromethyl)hydrazineN126C(Cl)NNC(Cl)InChI=1S/C2H6Cl2N2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=ZNSRCIUMJBZTEQ-UHFFFAOYSA-N187.6Ex 187.57(BP est) 0.08(MP est) ----(BP exp) ----(MP exp) C(Cl)NNC(Cl) 0.1PredN
ClC1(Cl)CS16711128.998C2H2Cl2S2,2-dichlorothiiraneN75ClC1(Cl)CS1InChI=1S/C2H2Cl2S/c3-2(4)1-5-2/h1H2InChIKey=GIOLGFOEVYALEO-UHFFFAOYSA-N109.9Ex 109.94(BP est) -15.60(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CS1 -15.6PredN
ClC1C(Cl)S16712128.998C2H2Cl2S2,3-dichlorothiiraneN75ClC1C(Cl)S1InChI=1S/C2H2Cl2S/c3-1-2(4)5-1/h1-2HInChIKey=KHUYTDIFDQMTCN-UHFFFAOYSA-N140.5Ex 140.51(BP est) -20.75(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)S1 -20.8PredN
BrCCl6713129.381CH2BrClbromochloromethaneN53BrCClInChI=1S/CH2BrCl/c2-1-3/h1H2InChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N67.9Ex 94.23(BP est) -70.53(MP est) 68.00(BP exp) -87.90(MP exp) BrCCl -87.9ExptY(Gribble 2003)
FC1C(Cl)(Cl)N16715129.943C2H2Cl2FN2,2-dichloro-3-fluoroaziridineN86FC1C(Cl)(Cl)N1InChI=1S/C2H2Cl2FN/c3-2(4)1(5)6-2/h1,6HInChIKey=QTPUCKLVTHKYDK-UHFFFAOYSA-N101.9Ex 101.93(BP est) -5.97(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(Cl)N1 -6PredN
ClC1C(Cl)(F)N16716129.943C2H2Cl2FN2,3-dichloro-2-fluoroaziridineN86ClC1C(Cl)(F)N1InChI=1S/C2H2Cl2FN/c3-1-2(4,5)6-1/h1,6HInChIKey=FXBZSVFJPBHLMF-UHFFFAOYSA-N114.8Ex 114.83(BP est) -2.21(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(F)N1 -2.2PredN
NCOC(Cl)Cl6717129.968C2H5Cl2NO(dichloromethoxy)methanamineN116NCOC(Cl)ClInChI=1S/C2H5Cl2NO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=HQHRVWBJHDIBHW-UHFFFAOYSA-N150.5Ex 150.52(BP est) -18.15(MP est) ----(BP exp) ----(MP exp) NCOC(Cl)Cl -18.2PredN
NCC(Cl)(Cl)O6718129.968C2H5Cl2NO2-amino-1,1-dichloroethan-1-olN116NCC(Cl)(Cl)OInChI=1S/C2H5Cl2NO/c3-2(4,6)1-5/h6H,1,5H2InChIKey=CRJLDOXCBGMESE-UHFFFAOYSA-N159.9Ex 159.94(BP est) 12.60(MP est) ----(BP exp) ----(MP exp) NCC(Cl)(Cl)O 12.6PredN
NC(Cl)C(O)(Cl)6719129.968C2H5Cl2NO2-amino-1,2-dichloroethan-1-olN116NC(Cl)C(O)(Cl)InChI=1S/C2H5Cl2NO/c3-1(5)2(4)6/h1-2,6H,5H2InChIKey=FOZWKVPHFVHMQE-UHFFFAOYSA-N188.3Ex 188.32(BP est) 4.68(MP est) ----(BP exp) ----(MP exp) NC(Cl)C(O)(Cl) 4.7PredN
NC(Cl)(Cl)C(O)6720129.968C2H5Cl2NO2-amino-2,2-dichloroethan-1-olN116NC(Cl)(Cl)C(O)InChI=1S/C2H5Cl2NO/c3-2(4,5)1-6/h6H,1,5H2InChIKey=MNWKYWYIFCQZLM-UHFFFAOYSA-N176.8Ex 176.77(BP est) 17.52(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)C(O) 17.5PredN
NC(Cl)OC(Cl)6721129.968C2H5Cl2NOchloro(chloromethoxy)methanamineN116NC(Cl)OC(Cl)InChI=1S/C2H5Cl2NO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=MYTQDGLPLKEXKB-UHFFFAOYSA-N162.4Ex 162.42(BP est) -14.68(MP est) ----(BP exp) ----(MP exp) NC(Cl)OC(Cl) -14.7PredN
NC(Cl)(OC)Cl6722129.968C2H5Cl2NOdichloro(methoxy)methanamineN116NC(Cl)(OC)ClInChI=1S/C2H5Cl2NO/c1-6-2(3,4)5/h5H2,1H3InChIKey=BPRUSJSPLRKQRF-UHFFFAOYSA-N116.8Ex 116.79(BP est) -19.29(MP est) ----(BP exp) ----(MP exp) NC(Cl)(OC)Cl -19.3PredN
ClC(Cl)(C)NO6723129.968C2H5Cl2NON-(1,1-dichloroethyl)hydroxylamineN116ClC(Cl)(C)NOInChI=1S/C2H5Cl2NO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=JGQHGYZURIXAAI-UHFFFAOYSA-N175.8Ex 175.79(BP est) 1.93(MP est) ----(BP exp) ----(MP exp) ClC(Cl)(C)NO 1.9PredN
ClC(Cl)N(O)C6724129.968C2H5Cl2NON-(dichloromethyl)-N-methylhydroxylamineN116ClC(Cl)N(O)CInChI=1S/C2H5Cl2NO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=CSYXVNMACGYLMT-UHFFFAOYSA-N249.9Ex 249.91(BP est) 27.85(MP est) ----(BP exp) ----(MP exp) ClC(Cl)N(O)C 27.9PredN
ClC(Cl)NOC6725129.968C2H5Cl2NON-(dichloromethyl)-O-methylhydroxylamineN116ClC(Cl)NOCInChI=1S/C2H5Cl2NO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=QXLLLXLGGOWMJI-UHFFFAOYSA-N133.0Ex 133.00(BP est) -38.57(MP est) ----(BP exp) ----(MP exp) ClC(Cl)NOC -38.6PredN
ClCNOCCl6726129.968C2H5Cl2NON,O-bis(chloromethyl)hydroxylamineN116ClCNOCClInChI=1S/C2H5Cl2NO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=AFQDTHMVIMCTKI-UHFFFAOYSA-N170.3Ex 170.26(BP est) -20.19(MP est) ----(BP exp) ----(MP exp) ClCNOCCl -20.2PredN
NOC(Cl)(C)Cl6727129.968C2H5Cl2NOO-(1,1-dichloroethyl)hydroxylamineN116NOC(Cl)(C)ClInChI=1S/C2H5Cl2NO/c1-2(3,4)6-5/h5H2,1H3InChIKey=LHCOIBVLTPWEJB-UHFFFAOYSA-N116.8Ex 116.79(BP est) -19.29(MP est) ----(BP exp) ----(MP exp) NOC(Cl)(C)Cl -19.3PredN
NOC(CCl)Cl6728129.968C2H5Cl2NOO-(1,2-dichloroethyl)hydroxylamineN116NOC(CCl)ClInChI=1S/C2H5Cl2NO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=ZHQYSVOZGHJXGC-UHFFFAOYSA-N162.4Ex 162.42(BP est) -14.68(MP est) ----(BP exp) ----(MP exp) NOC(CCl)Cl -14.7PredN
NOCC(Cl)Cl6729129.968C2H5Cl2NOO-(2,2-dichloroethyl)hydroxylamineN116NOCC(Cl)ClInChI=1S/C2H5Cl2NO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=HYWCUGBDGQSGIR-UHFFFAOYSA-N150.5Ex 150.52(BP est) -18.15(MP est) ----(BP exp) ----(MP exp) NOCC(Cl)Cl -18.2PredN
CNOC(Cl)Cl6730129.968C2H5Cl2NOO-(dichloromethyl)-N-methylhydroxylamineN116CNOC(Cl)ClInChI=1S/C2H5Cl2NO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=PFPIOCPOAIQALZ-UHFFFAOYSA-N133.0Ex 133.00(BP est) -38.57(MP est) ----(BP exp) ----(MP exp) CNOC(Cl)Cl -38.6PredN
CSSC(F)(F)6731130.171C2H4F2S21-(difluoromethyl)-2-methyldisulfaneN106CSSC(F)(F)InChI=1S/C2H4F2S2/c1-5-6-2(3)4/h2H,1H3InChIKey=AJNXKVOUOAQPAE-UHFFFAOYSA-N104.0Ex 103.97(BP est) -79.42(MP est) ----(BP exp) ----(MP exp) CSSC(F)(F) -79.4PredN
C(F)SSC(F)6732130.171C2H4F2S21,2-bis(fluoromethyl)disulfaneN106C(F)SSC(F)InChI=1S/C2H4F2S2/c3-1-5-6-2-4/h1-2H2InChIKey=HUZXQBKHOXCJNB-UHFFFAOYSA-N118.2Ex 118.20(BP est) -67.76(MP est) ----(BP exp) ----(MP exp) C(F)SSC(F) -67.8PredN
OS(=S)(=S)O6733130.194H2O2S3sulfurodithioic O,O-acidN75OS(=S)(=S)OInChI=1S/H2O2S3/c1-5(2,3)4/h(H2,1,2,3,4)InChIKey=HOBBGWUQJYXTQU-UHFFFAOYSA-N188.9Ex 574.95(BP est) 232.17(MP est) ----(BP exp) ----(MP exp) OS(=S)(=S)O 232.2PredN
PC(Cl)=C(F)F6734130.459C2H2ClF2P(1-chloro-2,2-difluorovinyl)phosphaneN86PC(Cl)=C(F)FInChI=1S/C2H2ClF2P/c3-1(6)2(4)5/h6H2InChIKey=JCPGTTRMJUDZBE-UHFFFAOYSA-N71.3Ex 71.30(BP est) -101.71(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(F)F -101.7PredN
PC(F)=C(Cl)F6735130.459C2H2ClF2P(2-chloro-1,2-difluorovinyl)phosphaneN86PC(F)=C(Cl)FInChI=1S/C2H2ClF2P/c3-1(4)2(5)6/h6H2InChIKey=AONPDFNTAFAZHE-UHFFFAOYSA-N71.3Ex 71.30(BP est) -101.71(MP est) ----(BP exp) ----(MP exp) PC(F)=C(Cl)F -101.7PredN
FC1C(F)(Cl)P16736130.459C2H2ClF2P2-chloro-2,3-difluorophosphiraneN86FC1C(F)(Cl)P1InChI=1S/C2H2ClF2P/c3-2(5)1(4)6-2/h1,6HInChIKey=USMPPUQXHZYKHY-UHFFFAOYSA-N38.7Ex 38.67(BP est) -82.36(MP est) ----(BP exp) ----(MP exp) FC1C(F)(Cl)P1 -82.4PredN
ClC1C(F)(F)P16737130.459C2H2ClF2P3-chloro-2,2-difluorophosphiraneN86ClC1C(F)(F)P1InChI=1S/C2H2ClF2P/c3-1-2(4,5)6-1/h1,6HInChIKey=BQVUXXKVKACKOP-UHFFFAOYSA-N52.8Ex 52.81(BP est) -78.23(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(F)P1 -78.2PredN
O=P(O)(CCl)O6738130.464CH4ClO3P(chloromethyl)phosphonic acidN106O=P(O)(CCl)OInChI=1S/CH4ClO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)InChIKey=MOFCYHDQWIZKMY-UHFFFAOYSA-N292.3Ex 292.26(BP est) 24.04(MP est) ----(BP exp) ----(MP exp) O=P(O)(CCl)O 24PredN
ClC(POC)F6744130.483C2H5ClFOP(chlorofluoromethyl)(methoxy)phosphaneN116ClC(POC)FInChI=1S/C2H5ClFOP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=SMWDZXZCMBPTIC-UHFFFAOYSA-N80.0Ex 80.01(BP est) -87.53(MP est) ----(BP exp) ----(MP exp) ClC(POC)F -87.5PredN
O=P(C)C(Cl)F6745130.483C2H5ClFOP(chlorofluoromethyl)(methyl)phosphine oxideN116O=P(C)C(Cl)FInChI=1S/C2H5ClFOP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=ORRMCGWQGIBMDA-UHFFFAOYSA-N121.2Ex 121.15(BP est) -69.14(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Cl)F -69.1PredN
O=P(CCl)CF6747130.483C2H5ClFOP(chloromethyl)(fluoromethyl)phosphine oxideN116O=P(CCl)CFInChI=1S/C2H5ClFOP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=FXQPCWSYIQJNMS-UHFFFAOYSA-N147.2Ex 147.22(BP est) -54.02(MP est) ----(BP exp) ----(MP exp) O=P(CCl)CF -54PredN
FC1C(Cl)(F)S16748130.537C2HClF2S2-chloro-2,3-difluorothiiraneN76FC1C(Cl)(F)S1InChI=1S/C2HClF2S/c3-2(5)1(4)6-2/h1HInChIKey=KOXALVWESKPLPG-UHFFFAOYSA-N68.9Ex 68.87(BP est) -44.08(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(F)S1 -44.1PredN
ClC1C(F)(F)S16749130.537C2HClF2S3-chloro-2,2-difluorothiiraneN76ClC1C(F)(F)S1InChI=1S/C2HClF2S/c3-1-2(4,5)6-1/h1HInChIKey=PGTOLKGMWMJFLI-UHFFFAOYSA-N82.4Ex 82.43(BP est) -40.12(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(F)S1 -40.1PredN
F[Si](C)(CCl)F6750130.594C2H5ClF2Si(chloromethyl)difluoro(methyl)silaneN116F[Si](C)(CCl)FInChI=1S/C2H5ClF2Si/c1-6(4,5)2-3/h2H2,1H3InChIKey=IGWTVVLXPBAHMC-UHFFFAOYSA-N42.1Ex 42.13(BP est) -105.48(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CCl)F -105.5PredN
O=PC(Cl)Cl6754130.892CHCl2OP(dichloromethyl)(oxo)phosphaneN65O=PC(Cl)ClInChI=1S/CHCl2OP/c2-1(3)5-4/h1HInChIKey=GIWIEXXLVIFJMV-UHFFFAOYSA-N146.8Ex 146.75(BP est) -44.45(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)Cl -44.5PredN
C(Br)(F)(F)6755130.92CHBrF2bromodifluoromethaneN54C(Br)(F)(F)InChI=1S/CHBrF2/c2-1(3)4/h1HInChIKey=GRCDJFHYVYUNHM-UHFFFAOYSA-N-15.5Ex 15.13(BP est) -115.49(MP est) -15.50(BP exp) -145.00(MP exp) C(Br)(F)(F) -145ExptN
C(=O)C(Cl)(Cl)(F)6756130.927C2HCl2FO2,2-dichloro-2-fluoroacetaldehydeN76C(=O)C(Cl)(Cl)(F)InChI=1S/C2HCl2FO/c3-2(4,5)1-6/h1HInChIKey=LAVNLOJEYZYMFK-UHFFFAOYSA-N57.0Ex 91.56(BP est) -58.11(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(Cl)(F) -58.1PredN
FC1C(Cl)(Cl)O16757130.927C2HCl2FO2,2-dichloro-3-fluorooxiraneN76FC1C(Cl)(Cl)O1InChI=1S/C2HCl2FO/c3-2(4)1(5)6-2/h1HInChIKey=JOBNUBBKSYRYIZ-UHFFFAOYSA-N69.0Ex 68.95(BP est) -54.83(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(Cl)O1 -54.8PredN
ClC1C(Cl)(F)O16758130.927C2HCl2FO2,3-dichloro-2-fluorooxiraneN76ClC1C(Cl)(F)O1InChI=1S/C2HCl2FO/c3-1-2(4,5)6-1/h1HInChIKey=ZSICBYRCPUVVHX-UHFFFAOYSA-N82.5Ex 82.51(BP est) -50.87(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(F)O1 -50.9PredN
ClC(C)(P)Cl6759130.936C2H5Cl2P(1,1-dichloroethyl)phosphaneN105ClC(C)(P)ClInChI=1S/C2H5Cl2P/c1-2(3,4)5/h5H2,1H3InChIKey=PROKAKKREHUXMM-UHFFFAOYSA-N89.1Ex 89.12(BP est) -64.43(MP est) ----(BP exp) ----(MP exp) ClC(C)(P)Cl -64.4PredN
ClC(P)CCl6760130.936C2H5Cl2P(1,2-dichloroethyl)phosphaneN105ClC(P)CClInChI=1S/C2H5Cl2P/c3-1-2(4)5/h2H,1,5H2InChIKey=IBZACBZNZVBALS-UHFFFAOYSA-N136.9Ex 136.87(BP est) -59.20(MP est) ----(BP exp) ----(MP exp) ClC(P)CCl -59.2PredN
ClC(Cl)CP6761130.936C2H5Cl2P(2,2-dichloroethyl)phosphaneN105ClC(Cl)CPInChI=1S/C2H5Cl2P/c3-2(4)1-5/h2H,1,5H2InChIKey=AJZYRHXRWZWBAH-UHFFFAOYSA-N124.4Ex 124.40(BP est) -62.84(MP est) ----(BP exp) ----(MP exp) ClC(Cl)CP -62.8PredN
CPC(Cl)Cl6762130.936C2H5Cl2P(dichloromethyl)(methyl)phosphaneN105CPC(Cl)ClInChI=1S/C2H5Cl2P/c1-5-2(3)4/h2,5H,1H3InChIKey=OPEBTELFKZTHOJ-UHFFFAOYSA-N104.2Ex 104.23(BP est) -76.91(MP est) ----(BP exp) ----(MP exp) CPC(Cl)Cl -76.9PredN
ClCPCCl6763130.936C2H5Cl2Pbis(chloromethyl)phosphaneN105ClCPCClInChI=1S/C2H5Cl2P/c3-1-5-2-4/h5H,1-2H2InChIKey=MZPXNZTWCDITTG-UHFFFAOYSA-N143.4Ex 143.37(BP est) -57.98(MP est) ----(BP exp) ----(MP exp) ClCPCCl -58PredN
OCOC(Cl)(Cl)6764130.952C2H4Cl2O2(dichloromethoxy)methanolN106OCOC(Cl)(Cl)InChI=1S/C2H4Cl2O2/c3-2(4)6-1-5/h2,5H,1H2InChIKey=DAQUKSHTVZJLNR-UHFFFAOYSA-N174.1Ex 174.08(BP est) -22.49(MP est) ----(BP exp) ----(MP exp) OCOC(Cl)(Cl) -22.5PredN
OC(Cl)OC(Cl)6765130.952C2H4Cl2O2chloro(chloromethoxy)methanolN106OC(Cl)OC(Cl)InChI=1S/C2H4Cl2O2/c3-1-6-2(4)5/h2,5H,1H2InChIKey=VARLZBHXIYRFRH-UHFFFAOYSA-N178.7Ex 178.74(BP est) -21.13(MP est) ----(BP exp) ----(MP exp) OC(Cl)OC(Cl) -21.1PredN
OC(Cl)(OC)Cl6766130.952C2H4Cl2O2dichloro(methoxy)methanolN106OC(Cl)(OC)ClInChI=1S/C2H4Cl2O2/c1-6-2(3,4)5/h5H,1H3InChIKey=FZWYFHWYGZSNBQ-UHFFFAOYSA-N123.8Ex 123.84(BP est) -28.45(MP est) ----(BP exp) ----(MP exp) OC(Cl)(OC)Cl -28.5PredN
C(CC(Cl)(Cl)F)6767130.971C3H5Cl2F1,1-dichloro-1-fluoropropaneN116C(CC(Cl)(Cl)F)InChI=1S/C3H5Cl2F/c1-2-3(4,5)6/h2H2,1H3InChIKey=JXGAPNVPOVVXPV-UHFFFAOYSA-N53.1Ex 53.13(BP est) -84.69(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)(Cl)F) -84.7PredN
C(C(F)C(Cl)Cl)6768130.971C3H5Cl2F1,1-dichloro-2-fluoropropaneN116C(C(F)C(Cl)Cl)InChI=1S/C3H5Cl2F/c1-2(6)3(4)5/h2-3H,1H3InChIKey=ZKABTZBRCRQCTI-UHFFFAOYSA-N75.5Ex 75.47(BP est) -94.38(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Cl)Cl) -94.4PredN
C(F)(CC(Cl)Cl)6769130.971C3H5Cl2F1,1-dichloro-3-fluoropropaneN116C(F)(CC(Cl)Cl)InChI=1S/C3H5Cl2F/c4-3(5)1-2-6/h3H,1-2H2InChIKey=BNKPCLIGZGAELP-UHFFFAOYSA-N90.3Ex 90.33(BP est) -82.54(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Cl)Cl) -82.5PredN
C(C(Cl)C(Cl)F)6770130.971C3H5Cl2F1,2-dichloro-1-fluoropropaneN116C(C(Cl)C(Cl)F)InChI=1S/C3H5Cl2F/c1-2(4)3(5)6/h2-3H,1H3InChIKey=PYMJGCQWFJBCCD-UHFFFAOYSA-N75.5Ex 75.47(BP est) -94.38(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(Cl)F) -94.4PredN
C(C(Cl)(F)CCl)6771130.971C3H5Cl2F1,2-dichloro-2-fluoropropaneN116C(C(Cl)(F)CCl)InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3InChIKey=OTKOPXLUNRNYCD-UHFFFAOYSA-N88.6Ex 80.64(BP est) -76.66(MP est) 88.60(BP exp) -91.70(MP exp) C(C(Cl)(F)CCl) -91.7ExptN
C(Cl)(C(Cl)CF)6772130.971C3H5Cl2F1,2-dichloro-3-fluoropropaneN116C(Cl)(C(Cl)CF)InChI=1S/C3H5Cl2F/c4-1-3(5)2-6/h3H,1-2H2InChIKey=GSUYOAATQQUQDM-UHFFFAOYSA-N103.5Ex 103.51(BP est) -78.69(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)CF) -78.7PredN
C(Cl)(CC(Cl)F)6773130.971C3H5Cl2F1,3-dichloro-1-fluoropropaneN116C(Cl)(CC(Cl)F)InChI=1S/C3H5Cl2F/c4-2-1-3(5)6/h3H,1-2H2InChIKey=YPJGJFSXWRJKBC-UHFFFAOYSA-N103.5Ex 103.51(BP est) -78.69(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(Cl)F) -78.7PredN
C(Cl)(C(F)CCl)6774130.971C3H5Cl2F1,3-dichloro-2-fluoropropaneN116C(Cl)(C(F)CCl)InChI=1S/C3H5Cl2F/c4-1-3(6)2-5/h3H,1-2H2InChIKey=VWHNBEKOOBPTLK-UHFFFAOYSA-N127.0Ex 116.42(BP est) -74.92(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)CCl) -74.9PredN
C(C(Cl)(Cl)CF)6775130.971C3H5Cl2F2,2-dichloro-1-fluoropropaneN116C(C(Cl)(Cl)CF)InChI=1S/C3H5Cl2F/c1-3(4,5)2-6/h2H2,1H3InChIKey=ZLXNGWZTTFCWSA-UHFFFAOYSA-N53.1Ex 53.13(BP est) -84.69(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(Cl)CF) -84.7PredN
BrC=CC#C6776130.972C4H3Br1-bromobut-1-en-3-yneN85BrC=CC#CInChI=1S/C4H3Br/c1-2-3-4-5/h1,3-4HInChIKey=YWVQQXVWCAYPKY-UHFFFAOYSA-N117.6Ex 117.57(BP est) -40.82(MP est) ----(BP exp) ----(MP exp) BrC=CC#C -40.8PredN
C=C(C#C)Br6777130.972C4H3Br2-bromobut-1-en-3-yneN85C=C(C#C)BrInChI=1S/C4H3Br/c1-3-4(2)5/h1H,2H2InChIKey=PZQAKMYBFJQPLM-UHFFFAOYSA-N102.1Ex 102.06(BP est) -50.67(MP est) ----(BP exp) ----(MP exp) C=C(C#C)Br -50.7PredN
C=CC#CBr6778130.972C4H3Br4-bromobut-1-en-3-yneN85C=CC#CBrInChI=1S/C4H3Br/c1-2-3-4-5/h2H,1H2InChIKey=SCRCAFCBDMFEHB-UHFFFAOYSA-N117.3Ex 117.34(BP est) -9.66(MP est) ----(BP exp) ----(MP exp) C=CC#CBr -9.7PredN
CSC(Cl)Cl6780131.014C2H4Cl2S(dichloromethyl)(methyl)sulfaneN95CSC(Cl)ClInChI=1S/C2H4Cl2S/c1-5-2(3)4/h2H,1H3InChIKey=VTGKWDAJXFMXGS-UHFFFAOYSA-N131.5Ex 132.04(BP est) -59.09(MP est) ----(BP exp) ----(MP exp) CSC(Cl)Cl -59.1PredN
SC(Cl)(C)Cl6781131.014C2H4Cl2S1,1-dichloroethane-1-thiolN95SC(Cl)(C)ClInChI=1S/C2H4Cl2S/c1-2(3,4)5/h5H,1H3InChIKey=IUVPBCAVJPLXLO-UHFFFAOYSA-N111.5Ex 111.53(BP est) -55.34(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C)Cl -55.3PredN
SC(CCl)Cl6782131.014C2H4Cl2S1,2-dichloroethane-1-thiolN95SC(CCl)ClInChI=1S/C2H4Cl2S/c3-1-2(4)5/h2,5H,1H2InChIKey=BEKKOVOOPKCBGT-UHFFFAOYSA-N157.6Ex 157.56(BP est) -50.61(MP est) ----(BP exp) ----(MP exp) SC(CCl)Cl -50.6PredN
SCC(Cl)Cl6783131.014C2H4Cl2S2,2-dichloroethane-1-thiolN95SCC(Cl)ClInChI=1S/C2H4Cl2S/c3-2(4)1-5/h2,5H,1H2InChIKey=FHVNWAANLDDQGX-UHFFFAOYSA-N145.6Ex 145.55(BP est) -54.12(MP est) ----(BP exp) ----(MP exp) SCC(Cl)Cl -54.1PredN
C(Cl)SC(Cl)6784131.014C2H4Cl2Sbis(chloromethyl)sulfaneN95C(Cl)SC(Cl)InChI=1S/C2H4Cl2S/c3-1-5-2-4/h1-2H2InChIKey=KRIFIIWBVJKVST-UHFFFAOYSA-N151.8Ex 169.36(BP est) -40.70(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Cl) -40.7PredN
ClC=C(Cl)Cl6786131.38C2HCl31,1,2-trichloroetheneN65ClC=C(Cl)ClInChI=1S/C2HCl3/c3-1-2(4)5/h1HInChIKey=XSTXAVWGXDQKEL-UHFFFAOYSA-N86.7Ex 84.79(BP est) -77.15(MP est) 87.20(BP exp) -84.70(MP exp) ClC=C(Cl)Cl -84.7ExptY(Kladi et al. 2004)
CNC(Cl)(Cl)(F)6788131.959C2H4Cl2FN1,1-dichloro-1-fluoro-N-methylmethanamineN106CNC(Cl)(Cl)(F)InChI=1S/C2H4Cl2FN/c1-6-2(3,4)5/h6H,1H3InChIKey=FOXLFMILTKWFSL-UHFFFAOYSA-N75.2Ex 75.16(BP est) -57.56(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(Cl)(F) -57.6PredN
NC(Cl)(Cl)(CF)6789131.959C2H4Cl2FN1,1-dichloro-2-fluoroethan-1-amineN106NC(Cl)(Cl)(CF)InChI=1S/C2H4Cl2FN/c3-2(4,6)1-5/h1,6H2InChIKey=GQNXBNZNABXSQA-UHFFFAOYSA-N94.4Ex 94.39(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)(CF) -36.7PredN
C(F)NC(Cl)(Cl)6790131.959C2H4Cl2FN1,1-dichloro-N-(fluoromethyl)methanamineN106C(F)NC(Cl)(Cl)InChI=1S/C2H4Cl2FN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=VLCPGIVDDKDNPE-UHFFFAOYSA-N111.2Ex 111.20(BP est) -55.75(MP est) ----(BP exp) ----(MP exp) C(F)NC(Cl)(Cl) -55.8PredN
NC(Cl)(F)(CCl)6791131.959C2H4Cl2FN1,2-dichloro-1-fluoroethan-1-amineN106NC(Cl)(F)(CCl)InChI=1S/C2H4Cl2FN/c3-1-2(4,5)6/h1,6H2InChIKey=HGVIVKUZKSASLG-UHFFFAOYSA-N120.3Ex 120.27(BP est) -29.09(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(CCl) -29.1PredN
NC(Cl)(C(Cl)F)6792131.959C2H4Cl2FN1,2-dichloro-2-fluoroethan-1-amineN106NC(Cl)(C(Cl)F)InChI=1S/C2H4Cl2FN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=NTUADBBPKRGCGX-UHFFFAOYSA-N115.4Ex 115.41(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Cl)F) -46.7PredN
C(Cl)NC(Cl)(F)6793131.959C2H4Cl2FN1-chloro-N-(chloromethyl)-1-fluoromethanamineN106C(Cl)NC(Cl)(F)InChI=1S/C2H4Cl2FN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=ICQJCQAEJQGBQQ-UHFFFAOYSA-N123.9Ex 123.94(BP est) -52.03(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Cl)(F) -52PredN
NC(F)(C(Cl)Cl)6794131.959C2H4Cl2FN2,2-dichloro-1-fluoroethan-1-amineN106NC(F)(C(Cl)Cl)InChI=1S/C2H4Cl2FN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=IQNLESTZNWGCLH-UHFFFAOYSA-N115.4Ex 115.41(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Cl)Cl) -46.7PredN
NC(C(Cl)(Cl)F)6795131.959C2H4Cl2FN2,2-dichloro-2-fluoroethan-1-amineN106NC(C(Cl)(Cl)F)InChI=1S/C2H4Cl2FN/c3-2(4,5)1-6/h1,6H2InChIKey=PRXIQBKVMMVMRQ-UHFFFAOYSA-N94.4Ex 94.39(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)(Cl)F) -36.7PredN
O=PC(F)(Cl)F6799132.431CClF2OP(chlorodifluoromethyl)(oxo)phosphaneN66O=PC(F)(Cl)FInChI=1S/CClF2OP/c2-1(3,4)6-5InChIKey=SIRUXEZYBXNAGS-UHFFFAOYSA-N79.1Ex 79.13(BP est) -69.85(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Cl)F -69.9PredN
O=P(C(Cl)F)O6800132.455CH3ClFO2P(chlorofluoromethyl)phosphinic acidN96O=P(C(Cl)F)OInChI=1S/CH3ClFO2P/c2-1(3)6(4)5/h1,6H,(H,4,5)InChIKey=OHIRHKQIVAUQOM-UHFFFAOYSA-N196.5Ex 196.48(BP est) -22.37(MP est) ----(BP exp) ----(MP exp) O=P(C(Cl)F)O -22.4PredN
PC(CF)(Cl)F6802132.475C2H4ClF2P(1-chloro-1,2-difluoroethyl)phosphaneN106PC(CF)(Cl)FInChI=1S/C2H4ClF2P/c3-2(5,6)1-4/h1,6H2InChIKey=KUXHEARXWHVVPY-UHFFFAOYSA-N54.2Ex 54.22(BP est) -88.99(MP est) ----(BP exp) ----(MP exp) PC(CF)(Cl)F -89PredN
PC(Cl)C(F)F6803132.475C2H4ClF2P(1-chloro-2,2-difluoroethyl)phosphaneN106PC(Cl)C(F)FInChI=1S/C2H4ClF2P/c3-1(6)2(4)5/h1-2H,6H2InChIKey=RTMDOZWSSVUJFI-UHFFFAOYSA-N62.9Ex 62.85(BP est) -102.68(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(F)F -102.7PredN
PC(CCl)(F)F6804132.475C2H4ClF2P(2-chloro-1,1-difluoroethyl)phosphaneN106PC(CCl)(F)FInChI=1S/C2H4ClF2P/c3-1-2(4,5)6/h1,6H2InChIKey=KBTVHLAEPWETHJ-UHFFFAOYSA-N81.7Ex 81.69(BP est) -80.97(MP est) ----(BP exp) ----(MP exp) PC(CCl)(F)F -81PredN
PC(F)C(Cl)F6805132.475C2H4ClF2P(2-chloro-1,2-difluoroethyl)phosphaneN106PC(F)C(Cl)FInChI=1S/C2H4ClF2P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=WUGCRDYJXODFKX-UHFFFAOYSA-N62.9Ex 62.85(BP est) -102.68(MP est) ----(BP exp) ----(MP exp) PC(F)C(Cl)F -102.7PredN
PCC(F)(Cl)F6806132.475C2H4ClF2P(2-chloro-2,2-difluoroethyl)phosphaneN106PCC(F)(Cl)FInChI=1S/C2H4ClF2P/c3-2(4,5)1-6/h1,6H2InChIKey=ZIKLZDFAFGUJLD-UHFFFAOYSA-N54.2Ex 54.22(BP est) -88.99(MP est) ----(BP exp) ----(MP exp) PCC(F)(Cl)F -89PredN
CPC(F)(Cl)F6807132.475C2H4ClF2P(chlorodifluoromethyl)(methyl)phosphaneN106CPC(F)(Cl)FInChI=1S/C2H4ClF2P/c1-6-2(3,4)5/h6H,1H3InChIKey=OQGWTNDCPJIMBJ-UHFFFAOYSA-N31.8Ex 31.81(BP est) -103.71(MP est) ----(BP exp) ----(MP exp) CPC(F)(Cl)F -103.7PredN
FCPC(Cl)F6808132.475C2H4ClF2P(chlorofluoromethyl)(fluoromethyl)phosphaneN106FCPC(Cl)FInChI=1S/C2H4ClF2P/c3-2(5)6-1-4/h2,6H,1H2InChIKey=CFAGGNABENHFLK-UHFFFAOYSA-N56.3Ex 56.31(BP est) -105.27(MP est) ----(BP exp) ----(MP exp) FCPC(Cl)F -105.3PredN
ClCPC(F)F6809132.475C2H4ClF2P(chloromethyl)(difluoromethyl)phosphaneN106ClCPC(F)FInChI=1S/C2H4ClF2P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=UYPNKFOBAGYXTA-UHFFFAOYSA-N70.2Ex 70.16(BP est) -101.23(MP est) ----(BP exp) ----(MP exp) ClCPC(F)F -101.2PredN
CSC(Cl)(F)(F)6810132.553C2H3ClF2S(chlorodifluoromethyl)(methyl)sulfaneN96CSC(Cl)(F)(F)InChI=1S/C2H3ClF2S/c1-6-2(3,4)5/h1H3InChIKey=RBTCBTOGIVSSTL-UHFFFAOYSA-N56.3Ex 62.73(BP est) -84.99(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(F)(F) -85PredN
C(F)SC(Cl)(F)6811132.553C2H3ClF2S(chlorofluoromethyl)(fluoromethyl)sulfaneN96C(F)SC(Cl)(F)InChI=1S/C2H3ClF2S/c3-2(5)6-1-4/h2H,1H2InChIKey=WHWRSAUZIQCWPB-UHFFFAOYSA-N86.2Ex 86.21(BP est) -86.84(MP est) ----(BP exp) ----(MP exp) C(F)SC(Cl)(F) -86.8PredN
C(Cl)SC(F)(F)6812132.553C2H3ClF2S(chloromethyl)(difluoromethyl)sulfaneN96C(Cl)SC(F)(F)InChI=1S/C2H3ClF2S/c3-1-6-2(4)5/h2H,1H2InChIKey=DUBSNPGZYSURFP-UHFFFAOYSA-N99.5Ex 99.47(BP est) -82.97(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(F)(F) -83PredN
SC(Cl)(F)(CF)6813132.553C2H3ClF2S1-chloro-1,2-difluoroethane-1-thiolN96SC(Cl)(F)(CF)InChI=1S/C2H3ClF2S/c3-2(5,6)1-4/h6H,1H2InChIKey=OENBBPWLTUSANA-UHFFFAOYSA-N77.8Ex 77.80(BP est) -79.56(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(CF) -79.6PredN
SC(Cl)(C(F)F)6814132.553C2H3ClF2S1-chloro-2,2-difluoroethane-1-thiolN96SC(Cl)(C(F)F)InChI=1S/C2H3ClF2S/c3-1(6)2(4)5/h1-2,6HInChIKey=AWMXPLCJCYDDMZ-UHFFFAOYSA-N86.1Ex 86.14(BP est) -93.33(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(F)F) -93.3PredN
SC(F)(F)(CCl)6815132.553C2H3ClF2S2-chloro-1,1-difluoroethane-1-thiolN96SC(F)(F)(CCl)InChI=1S/C2H3ClF2S/c3-1-2(4,5)6/h6H,1H2InChIKey=JPWRDGOWWRCGID-UHFFFAOYSA-N104.4Ex 104.35(BP est) -71.81(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(CCl) -71.8PredN
SC(F)(C(Cl)F)6816132.553C2H3ClF2S2-chloro-1,2-difluoroethane-1-thiolN96SC(F)(C(Cl)F)InChI=1S/C2H3ClF2S/c3-1(4)2(5)6/h1-2,6HInChIKey=ONFYCTIGRUIHDK-UHFFFAOYSA-N86.1Ex 86.14(BP est) -93.33(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Cl)F) -93.3PredN
SC(C(Cl)(F)F)6817132.553C2H3ClF2S2-chloro-2,2-difluoroethane-1-thiolN96SC(C(Cl)(F)F)InChI=1S/C2H3ClF2S/c3-2(4,5)1-6/h6H,1H2InChIKey=PWJIZBSHTDKUKY-UHFFFAOYSA-N77.8Ex 77.80(BP est) -79.56(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)(F)F) -79.6PredN
F[Si](CCl)(O)F6818132.566CH3ClF2OSi(chloromethyl)difluorosilanolN96F[Si](CCl)(O)FInChI=1S/CH3ClF2OSi/c2-1-6(3,4)5/h5H,1H2InChIKey=GPFLFIMLZZIZRX-UHFFFAOYSA-N127.5Ex 127.53(BP est) -55.77(MP est) ----(BP exp) ----(MP exp) F[Si](CCl)(O)F -55.8PredN
C(Cl)(Cl)=C(F)(F)6826132.919C2Cl2F21,1-dichloro-2,2-difluoroetheneN66C(Cl)(Cl)=C(F)(F)InChI=1S/C2Cl2F2/c3-1(4)2(5)6InChIKey=QDGONURINHVBEW-UHFFFAOYSA-N19.1Ex 44.89(BP est) -110.14(MP est) 19.00(BP exp) -116.00(MP exp) C(Cl)(Cl)=C(F)(F) -116ExptN
C(Cl)(F)=C(Cl)(F)6827132.919C2Cl2F21,2-dichloro-1,2-difluoroetheneN66C(Cl)(F)=C(Cl)(F)InChI=1S/C2Cl2F2/c3-1(5)2(4)6InChIKey=UPVJEODAZWTJKZ-UHFFFAOYSA-N20.1Ex 44.89(BP est) -110.14(MP est) 21.10(BP exp) -130.50(MP exp) C(Cl)(F)=C(Cl)(F) -130.5ExptN
OC(Cl)(Cl)(CF)6828132.943C2H3Cl2FO1,1-dichloro-2-fluoroethan-1-olN96OC(Cl)(Cl)(CF)InChI=1S/C2H3Cl2FO/c3-2(4,6)1-5/h6H,1H2InChIKey=KLTGAKNEYAKJEH-UHFFFAOYSA-N101.7Ex 101.69(BP est) -45.74(MP est) ----(BP exp) ----(MP exp) OC(Cl)(Cl)(CF) -45.7PredN
OC(Cl)(F)(CCl)6829132.943C2H3Cl2FO1,2-dichloro-1-fluoroethan-1-olN96OC(Cl)(F)(CCl)InChI=1S/C2H3Cl2FO/c3-1-2(4,5)6/h6H,1H2InChIKey=FTYOUSOXJIUHFF-UHFFFAOYSA-N127.3Ex 127.27(BP est) -38.27(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(CCl) -38.3PredN
OC(Cl)(C(Cl)F)6830132.943C2H3Cl2FO1,2-dichloro-2-fluoroethan-1-olN96OC(Cl)(C(Cl)F)InChI=1S/C2H3Cl2FO/c3-1(5)2(4)6/h1-2,6HInChIKey=OIBTVSKUBQBEIL-UHFFFAOYSA-N133.2Ex 133.19(BP est) -52.75(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(Cl)F) -52.8PredN
OC(F)(C(Cl)Cl)6831132.943C2H3Cl2FO2,2-dichloro-1-fluoroethan-1-olN96OC(F)(C(Cl)Cl)InChI=1S/C2H3Cl2FO/c3-1(4)2(5)6/h1-2,6HInChIKey=XZRKBWOEZJLTAK-UHFFFAOYSA-N133.2Ex 133.19(BP est) -52.75(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Cl)Cl) -52.8PredN
OC(C(Cl)(Cl)F)6832132.943C2H3Cl2FO2,2-dichloro-2-fluoroethan-1-olN96OC(C(Cl)(Cl)F)InChI=1S/C2H3Cl2FO/c3-2(4,5)1-6/h6H,1H2InChIKey=LJTFLXOWPJPVCJ-UHFFFAOYSA-N120.4Ex 120.35(BP est) -40.29(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)(Cl)F) -40.3PredN
C(Cl)OC(Cl)(F)6833132.943C2H3Cl2FOchloro(chloromethoxy)fluoromethaneN96C(Cl)OC(Cl)(F)InChI=1S/C2H3Cl2FO/c3-1-6-2(4)5/h2H,1H2InChIKey=XVDGIHNDMUCYOY-UHFFFAOYSA-N104.4Ex 104.44(BP est) -72.94(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(Cl)(F) -72.9PredN
C(F)OC(Cl)(Cl)6834132.943C2H3Cl2FOdichloro(fluoromethoxy)methaneN96C(F)OC(Cl)(Cl)InChI=1S/C2H3Cl2FO/c3-2(4)6-1-5/h2H,1H2InChIKey=NBPPUJOTWCXSCV-UHFFFAOYSA-N91.3Ex 91.28(BP est) -76.78(MP est) ----(BP exp) ----(MP exp) C(F)OC(Cl)(Cl) -76.8PredN
COC(Cl)(Cl)(F)6835132.943C2H3Cl2FOdichlorofluoro(methoxy)methaneN96COC(Cl)(Cl)(F)InChI=1S/C2H3Cl2FO/c1-6-2(3,4)5/h1H3InChIKey=HVWRZKGCSDPELK-UHFFFAOYSA-N54.1Ex 54.13(BP est) -78.92(MP est) ----(BP exp) ----(MP exp) COC(Cl)(Cl)(F) -78.9PredN
O=CC#CBr6836132.944C3HBrO3-bromopropiolaldehydeN65O=CC#CBrInChI=1S/C3HBrO/c4-2-1-3-5/h3HInChIKey=HQYOSGFMPFDKSL-UHFFFAOYSA-N153.8Ex 153.78(BP est) 17.22(MP est) ----(BP exp) ----(MP exp) O=CC#CBr 17.2PredN
NNC(Cl)(Cl)(F)6837132.947CH3Cl2FN2(dichlorofluoromethyl)hydrazineN96NNC(Cl)(Cl)(F)InChI=1S/CH3Cl2FN2/c2-1(3,4)6-5/h6H,5H2InChIKey=APIXMBPJALEEIW-UHFFFAOYSA-N115.1Ex 115.12(BP est) -9.90(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(Cl)(F) -9.9PredN
BrC=C1CC16838132.988C4H5Br(bromomethylene)cyclopropaneN105BrC=C1CC1InChI=1S/C4H5Br/c5-3-4-1-2-4/h3H,1-2H2InChIKey=LDQBRMXHCQFKQA-UHFFFAOYSA-N116.0Ex 116.04(BP est) -45.94(MP est) ----(BP exp) ----(MP exp) BrC=C1CC1 -45.9PredN
BrCC1=CC16839132.988C4H5Br1-(bromomethyl)cycloprop-1-eneN105BrCC1=CC1InChI=1S/C4H5Br/c5-3-4-1-2-4/h1H,2-3H2InChIKey=VXFCXJZQHCQVMH-UHFFFAOYSA-N114.0Ex 113.97(BP est) -45.09(MP est) ----(BP exp) ----(MP exp) BrCC1=CC1 -45.1PredN
BrC(C1)=C1C6840132.988C4H5Br1-bromo-2-methylcycloprop-1-eneN105BrC(C1)=C1CInChI=1S/C4H5Br/c1-3-2-4(3)5/h2H2,1H3InChIKey=KRJRRWKTJYZGFR-UHFFFAOYSA-N112.0Ex 111.95(BP est) -39.42(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1C -39.4PredN
C=C1CC1Br6841132.988C4H5Br1-bromo-2-methylenecyclopropaneN105C=C1CC1BrInChI=1S/C4H5Br/c1-3-2-4(3)5/h4H,1-2H2InChIKey=JCRQQQUHRPKCRV-UHFFFAOYSA-N100.1Ex 100.09(BP est) -51.06(MP est) ----(BP exp) ----(MP exp) C=C1CC1Br -51.1PredN
BrC1=CC1C6842132.988C4H5Br1-bromo-3-methylcycloprop-1-eneN105BrC1=CC1CInChI=1S/C4H5Br/c1-3-2-4(3)5/h2-3H,1H3InChIKey=CHJWFMBJWQRDGH-UHFFFAOYSA-N107.1Ex 107.12(BP est) -49.21(MP est) ----(BP exp) ----(MP exp) BrC1=CC1C -49.2PredN
CCC#CBr6843132.988C4H5Br1-bromobut-1-yneN105CCC#CBrInChI=1S/C4H5Br/c1-2-3-4-5/h2H2,1H3InChIKey=KPOVYMZGZNPRNA-UHFFFAOYSA-N119.1Ex 119.09(BP est) -8.27(MP est) ----(BP exp) ----(MP exp) CCC#CBr -8.3PredN
CC#CCBr6844132.988C4H5Br1-bromobut-2-yneN105CC#CCBrInChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3InChIKey=LNNXOEHOXSYWLD-UHFFFAOYSA-N119.1Ex 119.09(BP est) -8.27(MP est) ----(BP exp) ----(MP exp) CC#CCBr -8.3PredN
C=CC=CBr6845132.988C4H5Br1-bromobuta-1,3-dieneN105C=CC=CBrInChI=1S/C4H5Br/c1-2-3-4-5/h2-4H,1H2InChIKey=LKNKAEWGISYACD-UHFFFAOYSA-N91.3Ex 107.54(BP est) -68.11(MP est) ----(BP exp) ----(MP exp) C=CC=CBr -68.1PredN
BrC1=CCC16846132.988C4H5Br1-bromocyclobut-1-eneN105BrC1=CCC1InChI=1S/C4H5Br/c5-4-2-1-3-4/h2H,1,3H2InChIKey=UEGVPEVUDLXNEV-UHFFFAOYSA-N92.5Ex 116.12(BP est) -46.22(MP est) ----(BP exp) ----(MP exp) BrC1=CCC1 -46.2PredN
C=CC(Br)=C6847132.988C4H5Br2-bromobuta-1,3-dieneN105C=CC(Br)=CInChI=1S/C4H5Br/c1-3-4(2)5/h3H,1-2H2InChIKey=WWJSRLYOPQYXMZ-UHFFFAOYSA-N91.8Ex 91.78(BP est) -78.04(MP est) ----(BP exp) ----(MP exp) C=CC(Br)=C -78PredN
BrCC1C=C16848132.988C4H5Br3-(bromomethyl)cycloprop-1-eneN105BrCC1C=C1InChI=1S/C4H5Br/c5-3-4-1-2-4/h1-2,4H,3H2InChIKey=DNLIKYWXYCRMCI-UHFFFAOYSA-N109.2Ex 109.16(BP est) -54.87(MP est) ----(BP exp) ----(MP exp) BrCC1C=C1 -54.9PredN
CC1=CC1Br6849132.988C4H5Br3-bromo-1-methylcycloprop-1-eneN105CC1=CC1BrInChI=1S/C4H5Br/c1-3-2-4(3)5/h2,4H,1H3InChIKey=QDYARLKPNDHERH-UHFFFAOYSA-N107.1Ex 107.12(BP est) -49.21(MP est) ----(BP exp) ----(MP exp) CC1=CC1Br -49.2PredN
BrC1(C)C=C16850132.988C4H5Br3-bromo-3-methylcycloprop-1-eneN105BrC1(C)C=C1InChI=1S/C4H5Br/c1-4(5)2-3-4/h2-3H,1H3InChIKey=DFNDXUMKSZFCOI-UHFFFAOYSA-N96.5Ex 96.54(BP est) -46.61(MP est) ----(BP exp) ----(MP exp) BrC1(C)C=C1 -46.6PredN
CC(C#C)Br6851132.988C4H5Br3-bromobut-1-yneN105CC(C#C)BrInChI=1S/C4H5Br/c1-3-4(2)5/h1,4H,2H3InChIKey=PYJVGTWBTIEAMV-UHFFFAOYSA-N95.9Ex 95.92(BP est) -52.10(MP est) ----(BP exp) ----(MP exp) CC(C#C)Br -52.1PredN
BrC1CC=C16852132.988C4H5Br3-bromocyclobut-1-eneN105BrC1CC=C1InChI=1S/C4H5Br/c5-4-2-1-3-4/h1-2,4H,3H2InChIKey=CNPIZOJLJGNKAS-UHFFFAOYSA-N111.3Ex 111.32(BP est) -56.00(MP est) ----(BP exp) ----(MP exp) BrC1CC=C1 -56PredN
BrCCC#C6853132.988C4H5Br4-bromobut-1-yneN105BrCCC#CInChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2InChIKey=XLYOGWXIKVUXCL-UHFFFAOYSA-N109.5Ex 110.33(BP est) -40.40(MP est) ----(BP exp) ----(MP exp) BrCCC#C -40.4PredN
CC(Cl)(Cl)Cl6857133.396C2H3Cl31,1,1-trichloroethaneN85CC(Cl)(Cl)ClInChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3InChIKey=UOCLXMDMGBRAIB-UHFFFAOYSA-N76.3Ex 65.64(BP est) -72.01(MP est) 74.00(BP exp) -30.40(MP exp) CC(Cl)(Cl)Cl -30.4ExptY(Nightingale et al. 1995)
ClCC(Cl)Cl6858133.396C2H3Cl31,1,2-trichloroethaneN85ClCC(Cl)ClInChI=1S/C2H3Cl3/c3-1-2(4)5/h2H,1H2InChIKey=UBOXGVDOUJQMTN-UHFFFAOYSA-N113.7Ex 127.75(BP est) -62.59(MP est) 113.80(BP exp) -36.60(MP exp) ClCC(Cl)Cl -36.6ExptN
NOC(Cl)(F)Cl6860133.931CH2Cl2FNOO-(dichlorofluoromethyl)hydroxylamineN86NOC(Cl)(F)ClInChI=1S/CH2Cl2FNO/c2-1(3,4)6-5/h5H2InChIKey=VRCYLYNBDAMOPA-UHFFFAOYSA-N95.3Ex 95.33(BP est) -30.89(MP est) ----(BP exp) ----(MP exp) NOC(Cl)(F)Cl -30.9PredN
NC(C#C)Br6861133.976C3H4BrN1-bromoprop-2-yn-1-amineN95NC(C#C)BrInChI=1S/C3H4BrN/c1-2-3(4)5/h1,3H,5H2InChIKey=GNWATBUNVIPUNE-UHFFFAOYSA-N134.6Ex 134.62(BP est) -4.81(MP est) ----(BP exp) ----(MP exp) NC(C#C)Br -4.8PredN
BrCC1=CN16862133.976C3H4BrN2-(bromomethyl)-1H-azirineN95BrCC1=CN1InChI=1S/C3H4BrN/c4-1-3-2-5-3/h2,5H,1H2InChIKey=STPQKJJWXFMFKV-UHFFFAOYSA-N150.7Ex 150.68(BP est) 12.51(MP est) ----(BP exp) ----(MP exp) BrCC1=CN1 12.5PredN
BrC(N1)=C1C6863133.976C3H4BrN2-bromo-3-methyl-1H-azirineN95BrC(N1)=C1CInChI=1S/C3H4BrN/c1-2-3(4)5-2/h5H,1H3InChIKey=MJCDBRKWWFVBQF-UHFFFAOYSA-N148.8Ex 148.79(BP est) 18.22(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1C 18.2PredN
NC(C#CBr)6864133.976C3H4BrN3-bromoprop-2-yn-1-amineN95NC(C#CBr)InChI=1S/C3H4BrN/c4-2-1-3-5/h3,5H2InChIKey=MNPAYJHQXYTXOW-UHFFFAOYSA-N156.3Ex 156.33(BP est) 8.11(MP est) ----(BP exp) ----(MP exp) NC(C#CBr) 8.1PredN
S=C1SC=CS16871134.229C3H2S31,3-dithiole-2-thioneN86S=C1SC=CS1InChI=1S/C3H2S3/c4-3-5-1-2-6-3/h1-2HInChIKey=WYKJWNVWJOKVQP-UHFFFAOYSA-N270.6Ex 270.57(BP est) 64.04(MP est) ----(BP exp) 48.00(MP exp) S=C1SC=CS1 48ExptN
S=C1SSC=C16872134.229C3H2S33H-1,2-dithiole-3-thioneN86S=C1SSC=C1InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2HInChIKey=LZENMJMJWQSSNJ-UHFFFAOYSA-N270.6Ex 270.57(BP est) 64.04(MP est) ----(BP exp) ----(MP exp) S=C1SSC=C1 64PredY(DNP 2017)
NC(Cl)(Cl)Cl6873134.384CH2Cl3NtrichloromethanamineN75NC(Cl)(Cl)ClInChI=1S/CH2Cl3N/c2-1(3,4)5/h5H2InChIKey=HAQQADBAEKVKHS-UHFFFAOYSA-N106.2Ex 106.17(BP est) -24.18(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)Cl -24.2PredN
F[Si](F)(CCl)F6875134.557CH2ClF3Si(chloromethyl)trifluorosilaneN86F[Si](F)(CCl)FInChI=1S/CH2ClF3Si/c2-1-6(3,4)5/h1H2InChIKey=OIXFBORHATWXCM-UHFFFAOYSA-N18.2Ex 18.20(BP est) -117.80(MP est) ----(BP exp) ----(MP exp) F[Si](F)(CCl)F -117.8PredN
PC(F)(Cl)Cl6879134.899CH2Cl2FP(dichlorofluoromethyl)phosphaneN75PC(F)(Cl)ClInChI=1S/CH2Cl2FP/c2-1(3,4)5/h5H2InChIKey=NSCUMNQDPXTLBC-UHFFFAOYSA-N66.7Ex 66.71(BP est) -76.31(MP est) ----(BP exp) ----(MP exp) PC(F)(Cl)Cl -76.3PredN
C(F)(C(Cl)(Cl)F)6880134.935C2H2Cl2F21,1-dichloro-1,2-difluoroethaneN86C(F)(C(Cl)(Cl)F)InChI=1S/C2H2Cl2F2/c3-2(4,6)1-5/h1H2InChIKey=OIQOUHIUUREZOM-UHFFFAOYSA-N42.2Ex 29.55(BP est) -96.91(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)(Cl)F) -96.9PredN
C(Cl)(Cl)(C(F)F)6881134.935C2H2Cl2F21,1-dichloro-2,2-difluoroethaneN86C(Cl)(Cl)(C(F)F)InChI=1S/C2H2Cl2F2/c3-1(4)2(5)6/h1-2HInChIKey=VLIDBBNDBSNADN-UHFFFAOYSA-N60.0Ex 52.61(BP est) -106.39(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(F)F) -106.4PredN
C(Cl)(C(Cl)(F)F)6882134.935C2H2Cl2F21,2-dichloro-1,1-difluoroethaneN86C(Cl)(C(Cl)(F)F)InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2InChIKey=SKDFWEPBABSFMG-UHFFFAOYSA-N46.6Ex 57.95(BP est) -88.62(MP est) 46.80(BP exp) -101.20(MP exp) C(Cl)(C(Cl)(F)F) -101.2ExptN
C(Cl)(F)(C(Cl)F)6883134.935C2H2Cl2F21,2-dichloro-1,2-difluoroethaneN86C(Cl)(F)(C(Cl)F)InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2HInChIKey=IDSKMUOSMAUASS-UHFFFAOYSA-N53.2Ex 52.61(BP est) -106.39(MP est) 46.80(BP exp) -101.20(MP exp) C(Cl)(F)(C(Cl)F) -101.2ExptN
OC(C#C)Br6884134.96C3H3BrO1-bromoprop-2-yn-1-olN85OC(C#C)BrInChI=1S/C3H3BrO/c1-2-3(4)5/h1,3,5HInChIKey=ZIFINZAFEUOWBS-UHFFFAOYSA-N151.8Ex 151.82(BP est) -11.01(MP est) ----(BP exp) ----(MP exp) OC(C#C)Br -11PredN
BrCC1=CO16885134.96C3H3BrO2-(bromomethyl)oxireneN85BrCC1=CO1InChI=1S/C3H3BrO/c4-1-3-2-5-3/h2H,1H2InChIKey=BEMUCTAPLZQBTE-UHFFFAOYSA-N120.3Ex 120.28(BP est) -35.60(MP est) ----(BP exp) ----(MP exp) BrCC1=CO1 -35.6PredN
BrC(O1)=C1C6886134.96C3H3BrO2-bromo-3-methyloxireneN85BrC(O1)=C1CInChI=1S/C3H3BrO/c1-2-3(4)5-2/h1H3InChIKey=FHKHFZCVPOSBGX-UHFFFAOYSA-N118.3Ex 118.28(BP est) -29.92(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1C -29.9PredN
O=CC(Br)=C6887134.96C3H3BrO2-bromoacrylaldehydeN85O=CC(Br)=CInChI=1S/C3H3BrO/c1-3(4)2-5/h2H,1H2InChIKey=MDSPECLCFVWIGQ-UHFFFAOYSA-N129.8Ex 129.78(BP est) -50.70(MP est) ----(BP exp) ----(MP exp) O=CC(Br)=C -50.7PredN
O=CC=CBr6888134.96C3H3BrO3-bromoacrylaldehydeN85O=CC=CBrInChI=1S/C3H3BrO/c4-2-1-3-5/h1-3HInChIKey=DYKZSUCEYQFDRC-UHFFFAOYSA-N144.6Ex 144.59(BP est) -41.05(MP est) ----(BP exp) ----(MP exp) O=CC=CBr -41.1PredN
OC(C#CBr)6889134.96C3H3BrO3-bromoprop-2-yn-1-olN85OC(C#CBr)InChI=1S/C3H3BrO/c4-2-1-3-5/h5H,3H2InChIKey=IWUPQTNPVKDCSX-UHFFFAOYSA-N179.6Ex 179.63(BP est) 12.70(MP est) ----(BP exp) ----(MP exp) OC(C#CBr) 12.7PredN
SC(Cl)(Cl)(F)6890134.977CHCl2FSdichlorofluoromethanethiolN65SC(Cl)(Cl)(F)InChI=1S/CHCl2FS/c2-1(3,4)5/h5HInChIKey=LCRVOMGGNKHNDJ-UHFFFAOYSA-N89.9Ex 89.88(BP est) -67.00(MP est) ----(BP exp) ----(MP exp) SC(Cl)(Cl)(F) -67PredN
BrCC1CC16891135.004C4H7Br(bromomethyl)cyclopropaneN125BrCC1CC1InChI=1S/C4H7Br/c5-3-4-1-2-4/h4H,1-3H2InChIKey=AEILLAXRDHDKDY-UHFFFAOYSA-N103.4Ex 106.04(BP est) -56.16(MP est) ----(BP exp) ----(MP exp) BrCC1CC1 -56.2PredN
BrC1(CC1)C6892135.004C4H7Br1-bromo-1-methylcyclopropaneN125BrC1(CC1)CInChI=1S/C4H7Br/c1-4(5)2-3-4/h2-3H2,1H3InChIKey=FYNMAPJTGKYTHR-UHFFFAOYSA-N93.4Ex 93.36(BP est) -47.92(MP est) ----(BP exp) ----(MP exp) BrC1(CC1)C -47.9PredN
CC1CC1Br6893135.004C4H7Br1-bromo-2-methylcyclopropaneN125CC1CC1BrInChI=1S/C4H7Br/c1-3-2-4(3)5/h3-4H,2H2,1H3InChIKey=GASITZKLSRHTRE-UHFFFAOYSA-N99.1Ex 99.10(BP est) -60.31(MP est) ----(BP exp) ----(MP exp) CC1CC1Br -60.3PredN
BrC=C(C)C6894135.004C4H7Br1-bromo-2-methylprop-1-eneN125BrC=C(C)CInChI=1S/C4H7Br/c1-4(2)3-5/h3H,1-2H3InChIKey=DEFNUDNHTUZJAL-UHFFFAOYSA-N91.0Ex 102.82(BP est) -75.59(MP est) ----(BP exp) ----(MP exp) BrC=C(C)C -75.6PredN
CCC=CBr6895135.004C4H7Br1-bromobut-1-eneN125CCC=CBrInChI=1S/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3InChIKey=IUXHPSPHPKXTPA-UHFFFAOYSA-N86.2Ex 109.31(BP est) -66.72(MP est) 99.00(BP exp) ----(MP exp) CCC=CBr -66.7PredN
CC=CCBr6896135.004C4H7Br1-bromobut-2-eneN125CC=CCBrInChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3InChIKey=AVMHMVJVHYGDOO-UHFFFAOYSA-N100.0Ex 109.31(BP est) -66.72(MP est) 104.50(BP exp) ----(MP exp) CC=CCBr -66.7PredN
CCC(Br)=C6897135.004C4H7Br2-bromobut-1-eneN125CCC(Br)=CInChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3InChIKey=HQMXRIGBXOFKIU-UHFFFAOYSA-N92.8Ex 93.60(BP est) -76.63(MP est) 88.00(BP exp) -133.40(MP exp) CCC(Br)=C -133.4ExptN
CC=C(C)Br6898135.004C4H7Br2-bromobut-2-eneN125CC=C(C)BrInChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3InChIKey=UILZQFGKPHAAOU-UHFFFAOYSA-N85.8Ex 102.82(BP est) -75.59(MP est) 95.00(BP exp) ----(MP exp) CC=C(C)Br -75.6PredN
C=C(CBr)C6899135.004C4H7Br3-bromo-2-methylprop-1-eneN125C=C(CBr)CInChI=1S/C4H7Br/c1-4(2)3-5/h1,3H2,2H3InChIKey=USEGQJLHQSTGHW-UHFFFAOYSA-N95.0Ex 93.60(BP est) -76.63(MP est) ----(BP exp) ----(MP exp) C=C(CBr)C -76.6PredN
CC(C=C)Br6900135.004C4H7Br3-bromobut-1-eneN125CC(C=C)BrInChI=1S/C4H7Br/c1-3-4(2)5/h3-4H,1H2,2H3InChIKey=XOTGLEGIDHZTIM-UHFFFAOYSA-N105.0Ex 85.54(BP est) -79.50(MP est) ----(BP exp) ----(MP exp) CC(C=C)Br -79.5PredN
BrCCC=C6901135.004C4H7Br4-bromobut-1-eneN125BrCCC=CInChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2InChIKey=DMAYBPBPEUFIHJ-UHFFFAOYSA-N99.2Ex 100.19(BP est) -67.72(MP est) 98.50(BP exp) ----(MP exp) BrCCC=C -67.7PredN
BrC1CCC16902135.004C4H7BrbromocyclobutaneN125BrC1CCC1InChI=1S/C4H7Br/c5-4-2-1-3-4/h4H,1-3H2InChIKey=KXVUSQIDCZRUKF-UHFFFAOYSA-N107.8Ex 108.22(BP est) -57.29(MP est) ----(BP exp) ----(MP exp) BrC1CCC1 -57.3PredN
S=C1SN=CS16909135.217C2HNS31,4,2-dithiazole-5-thioneN76S=C1SN=CS1InChI=1S/C2HNS3/c4-2-5-1-3-6-2/h1HInChIKey=BORXJHBABJTFCD-UHFFFAOYSA-N280.9Ex 280.89(BP est) 78.69(MP est) ----(BP exp) ----(MP exp) S=C1SN=CS1 78.7PredN
S=C1\N=C/SS16910135.217C2HNS33H-1,2,4-dithiazole-3-thioneN76S=C1\N=C/SS1InChI=1S/C2HNS3/c4-2-3-1-5-6-2/h1HInChIKey=TWQVZFCNOMQQQV-UHFFFAOYSA-N280.9Ex 280.89(BP est) 78.69(MP est) ----(BP exp) ----(MP exp) S=C1\N=C/SS1 78.7PredN
OC(Cl)(Cl)Cl6912135.368CHCl3OtrichloromethanolN65OC(Cl)(Cl)ClInChI=1S/CHCl3O/c2-1(3,4)5/h5HInChIKey=GYLIOGDFGLKMOL-UHFFFAOYSA-N113.3Ex 113.34(BP est) -33.31(MP est) ----(BP exp) ----(MP exp) OC(Cl)(Cl)Cl -33.3PredN
NOC#CBr6914135.948C2H2BrNOO-(bromoethynyl)hydroxylamineN75NOC#CBrInChI=1S/C2H2BrNO/c3-1-2-5-4/h4H2InChIKey=RMSGDSXOGQOBTA-UHFFFAOYSA-N157.2Ex 157.17(BP est) 11.22(MP est) ----(BP exp) ----(MP exp) NOC#CBr 11.2PredN
NC1(CC1)Br6915135.992C3H6BrN1-bromocyclopropan-1-amineN115NC1(CC1)BrInChI=1S/C3H6BrN/c4-3(5)1-2-3/h1-2,5H2InChIKey=UKZIQGWERJWKEC-UHFFFAOYSA-N132.2Ex 132.21(BP est) -0.58(MP est) ----(BP exp) ----(MP exp) NC1(CC1)Br -0.6PredN
NC(C=C)Br6916135.992C3H6BrN1-bromoprop-2-en-1-amineN115NC(C=C)BrInChI=1S/C3H6BrN/c1-2-3(4)5/h2-3H,1,5H2InChIKey=ROOFMYMMFNNKDB-UHFFFAOYSA-N124.9Ex 124.88(BP est) -32.02(MP est) ----(BP exp) ----(MP exp) NC(C=C)Br -32PredN
BrCC1CN16917135.992C3H6BrN2-(bromomethyl)aziridineN115BrCC1CN1InChI=1S/C3H6BrN/c4-1-3-2-5-3/h3,5H,1-2H2InChIKey=ALVSZWIXTGFACJ-UHFFFAOYSA-N143.2Ex 143.24(BP est) 1.58(MP est) ----(BP exp) ----(MP exp) BrCC1CN1 1.6PredN
BrC1(C)CN16918135.992C3H6BrN2-bromo-2-methylaziridineN115BrC1(C)CN1InChI=1S/C3H6BrN/c1-3(4)2-5-3/h5H,2H2,1H3InChIKey=QXDYEQPRZKQGDM-UHFFFAOYSA-N131.3Ex 131.33(BP est) 10.05(MP est) ----(BP exp) ----(MP exp) BrC1(C)CN1 10.1PredN
BrC1C(C)N16919135.992C3H6BrN2-bromo-3-methylaziridineN115BrC1C(C)N1InChI=1S/C3H6BrN/c1-2-3(4)5-2/h2-3,5H,1H3InChIKey=LIFPLVFKRSELEX-UHFFFAOYSA-N136.7Ex 136.73(BP est) -2.44(MP est) ----(BP exp) ----(MP exp) BrC1C(C)N1 -2.4PredN
BrC1NCC16920135.992C3H6BrN2-bromoazetidineN115BrC1NCC1InChI=1S/C3H6BrN/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=RJOYZFAWPRNTOS-UHFFFAOYSA-N145.3Ex 145.29(BP est) 0.42(MP est) ----(BP exp) ----(MP exp) BrC1NCC1 0.4PredN
NC1CC1Br6921135.992C3H6BrN2-bromocyclopropan-1-amineN115NC1CC1BrInChI=1S/C3H6BrN/c4-2-1-3(2)5/h2-3H,1,5H2InChIKey=FCDABFGEJPQLBX-UHFFFAOYSA-N137.6Ex 137.61(BP est) -13.07(MP est) ----(BP exp) ----(MP exp) NC1CC1Br -13.1PredN
NCC(Br)=C6922135.992C3H6BrN2-bromoprop-2-en-1-amineN115NCC(Br)=CInChI=1S/C3H6BrN/c1-3(4)2-5/h1-2,5H2InChIKey=XFSISDMYBCYBKG-UHFFFAOYSA-N132.4Ex 132.44(BP est) -29.29(MP est) ----(BP exp) ----(MP exp) NCC(Br)=C -29.3PredN
BrC1CNC16923135.992C3H6BrN3-bromoazetidineN115BrC1CNC1InChI=1S/C3H6BrN/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=GJLIPAZOKHTKBR-UHFFFAOYSA-N145.3Ex 145.29(BP est) 0.42(MP est) ----(BP exp) ----(MP exp) BrC1CNC1 0.4PredN
NC(C=CBr)6924135.992C3H6BrN3-bromoprop-2-en-1-amineN115NC(C=CBr)InChI=1S/C3H6BrN/c4-2-1-3-5/h1-2H,3,5H2InChIKey=MALOPNCHJFMDLX-UHFFFAOYSA-N147.2Ex 147.18(BP est) -19.67(MP est) ----(BP exp) ----(MP exp) NC(C=CBr) -19.7PredN
S=C1SSCC16929136.245C3H4S31,2-dithiolane-3-thioneN106S=C1SSCC1InChI=1S/C3H4S3/c4-3-1-2-5-6-3/h1-2H2InChIKey=JXKHZQPLVKVABL-UHFFFAOYSA-N268.4Ex 268.41(BP est) 62.94(MP est) ----(BP exp) ----(MP exp) S=C1SSCC1 62.9PredN
S=C1SCCS16930136.245C3H4S31,3-dithiolane-2-thioneN106S=C1SCCS1InChI=1S/C3H4S3/c4-3-5-1-2-6-3/h1-2H2InChIKey=XCWPBWWTGHQKDR-UHFFFAOYSA-N307.0Ex 268.41(BP est) 62.94(MP est) 307.00(BP exp) 34.00(MP exp) S=C1SCCS1 34ExptN
S1\C=C/CSS16931136.245C3H4S34H-1,2,3-trithiineN106S1\C=C/CSS1InChI=1S/C3H4S3/c1-2-4-6-5-3-1/h1-2H,3H2InChIKey=YIHDDWFPRQQFCP-UHFFFAOYSA-N208.4Ex 208.41(BP est) 29.81(MP est) ----(BP exp) ----(MP exp) S1\C=C/CSS1 29.8PredY(El-Sayed 2014)
BrC(C1)=C1F6936136.951C3H2BrF1-bromo-2-fluorocycloprop-1-eneN75BrC(C1)=C1FInChI=1S/C3H2BrF/c4-2-1-3(2)5/h1H2InChIKey=RVOUWVPCJXQLLW-UHFFFAOYSA-N90.3Ex 90.31(BP est) -51.07(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1F -51.1PredN
BrC1=CC1F6937136.951C3H2BrF1-bromo-3-fluorocycloprop-1-eneN75BrC1=CC1FInChI=1S/C3H2BrF/c4-2-1-3(2)5/h1,3HInChIKey=PRAYMLGXJFLKEB-UHFFFAOYSA-N85.3Ex 85.32(BP est) -60.91(MP est) ----(BP exp) ----(MP exp) BrC1=CC1F -60.9PredN
C(F)(C#CBr)6938136.951C3H2BrF1-bromo-3-fluoroprop-1-yneN75C(F)(C#CBr)InChI=1S/C3H2BrF/c4-2-1-3-5/h3H2InChIKey=CAOGJQJOPIPJAF-UHFFFAOYSA-N97.7Ex 97.70(BP est) -19.86(MP est) ----(BP exp) ----(MP exp) C(F)(C#CBr) -19.9PredN
FC1=CC1Br6939136.951C3H2BrF3-bromo-1-fluorocycloprop-1-eneN75FC1=CC1BrInChI=1S/C3H2BrF/c4-2-1-3(2)5/h1-2HInChIKey=NYSLPUDOQBXXBQ-UHFFFAOYSA-N85.3Ex 85.32(BP est) -60.91(MP est) ----(BP exp) ----(MP exp) FC1=CC1Br -60.9PredN
C(Br)(C#CF)6940136.951C3H2BrF3-bromo-1-fluoroprop-1-yneN75C(Br)(C#CF)InChI=1S/C3H2BrF/c4-2-1-3-5/h2H2InChIKey=AHOLUBGLNMCHTE-UHFFFAOYSA-N97.7Ex 97.70(BP est) -19.86(MP est) ----(BP exp) ----(MP exp) C(Br)(C#CF) -19.9PredN
BrC1(F)C=C16941136.951C3H2BrF3-bromo-3-fluorocycloprop-1-eneN75BrC1(F)C=C1InChI=1S/C3H2BrF/c4-3(5)1-2-3/h1-2HInChIKey=XKHDJIJDPJBNPP-UHFFFAOYSA-N74.4Ex 74.38(BP est) -58.42(MP est) ----(BP exp) ----(MP exp) BrC1(F)C=C1 -58.4PredN
C(Br)(F)(C#C)6942136.951C3H2BrF3-bromo-3-fluoroprop-1-yneN75C(Br)(F)(C#C)InChI=1S/C3H2BrF/c1-2-3(4)5/h1,3HInChIKey=GIGBJGGGGKDUCI-UHFFFAOYSA-N73.7Ex 73.74(BP est) -63.92(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C#C) -63.9PredN
BrCOC=C6943136.976C3H5BrO(bromomethoxy)etheneN105BrCOC=CInChI=1S/C3H5BrO/c1-2-5-3-4/h2H,1,3H2InChIKey=SCYIFSKDXXZMMH-UHFFFAOYSA-N101.1Ex 101.12(BP est) -61.97(MP est) ----(BP exp) ----(MP exp) BrCOC=C -62PredN
COC(Br)=C6944136.976C3H5BrO1-bromo-1-methoxyetheneN105COC(Br)=CInChI=1S/C3H5BrO/c1-3(4)5-2/h1H2,2H3InChIKey=IPGZIZFQFIYAJA-UHFFFAOYSA-N94.5Ex 94.54(BP est) -70.87(MP est) ----(BP exp) ----(MP exp) COC(Br)=C -70.9PredN
COC=CBr6945136.976C3H5BrO1-bromo-2-methoxyetheneN105COC=CBrInChI=1S/C3H5BrO/c1-5-3-2-4/h2-3H,1H3InChIKey=PGPZRRQSIJKNCC-UHFFFAOYSA-N110.2Ex 110.23(BP est) -60.97(MP est) ----(BP exp) ----(MP exp) COC=CBr -61PredN
OC1(CC1)Br6946136.976C3H5BrO1-bromocyclopropan-1-olN105OC1(CC1)BrInChI=1S/C3H5BrO/c4-3(5)1-2-3/h5H,1-2H2InChIKey=LTYUSHFOPXFLOW-UHFFFAOYSA-N139.1Ex 139.08(BP est) -9.79(MP est) ----(BP exp) ----(MP exp) OC1(CC1)Br -9.8PredN
OC(C=C)Br6947136.976C3H5BrO1-bromoprop-2-en-1-olN105OC(C=C)BrInChI=1S/C3H5BrO/c1-2-3(4)5/h2-3,5H,1H2InChIKey=LIJNEVTWMVWULA-UHFFFAOYSA-N142.4Ex 142.38(BP est) -38.13(MP est) ----(BP exp) ----(MP exp) OC(C=C)Br -38.1PredN
CC(CBr)=O6948136.976C3H5BrO1-bromopropan-2-oneN105CC(CBr)=OInChI=1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3InChIKey=VQFAIAKCILWQPZ-UHFFFAOYSA-N136.8Ex 124.40(BP est) -40.44(MP est) 138.00(BP exp) -36.50(MP exp) CC(CBr)=O -36.5ExptY(Kladi et al. 2004)
BrCC1CO16949136.976C3H5BrO2-(bromomethyl)oxiraneN105BrCC1CO1InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2InChIKey=GKIPXFAANLTWBM-UHFFFAOYSA-N135.3Ex 112.43(BP est) -46.65(MP est) 135.00(BP exp) -40.00(MP exp) BrCC1CO1 -40ExptN
BrC1(C)CO16950136.976C3H5BrO2-bromo-2-methyloxiraneN105BrC1(C)CO1InChI=1S/C3H5BrO/c1-3(4)2-5-3/h2H2,1H3InChIKey=SNWSBECUBRGXKM-UHFFFAOYSA-N99.9Ex 99.88(BP est) -38.36(MP est) ----(BP exp) ----(MP exp) BrC1(C)CO1 -38.4PredN
BrC1C(C)O16951136.976C3H5BrO2-bromo-3-methyloxiraneN105BrC1C(C)O1InChI=1S/C3H5BrO/c1-2-3(4)5-2/h2-3H,1H3InChIKey=JCVHIWLGFNCDAR-UHFFFAOYSA-N105.6Ex 105.57(BP est) -50.77(MP est) ----(BP exp) ----(MP exp) BrC1C(C)O1 -50.8PredN
OC1CC1Br6952136.976C3H5BrO2-bromocyclopropan-1-olN105OC1CC1BrInChI=1S/C3H5BrO/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=JNLUYNCOHLKKRE-UHFFFAOYSA-N154.7Ex 154.72(BP est) -19.30(MP est) ----(BP exp) ----(MP exp) OC1CC1Br -19.3PredN
BrC1OCC16953136.976C3H5BrO2-bromooxetaneN105BrC1OCC1InChI=1S/C3H5BrO/c4-3-1-2-5-3/h3H,1-2H2InChIKey=DBLIURPAXPAPOQ-UHFFFAOYSA-N114.6Ex 114.59(BP est) -47.78(MP est) ----(BP exp) ----(MP exp) BrC1OCC1 -47.8PredN
OC(C(Br)=C)6954136.976C3H5BrO2-bromoprop-2-en-1-olN105OC(C(Br)=C)InChI=1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2InChIKey=MDFFZNIQPLKQSG-UHFFFAOYSA-N149.0Ex 156.80(BP est) -33.40(MP est) ----(BP exp) ----(MP exp) OC(C(Br)=C) -33.4PredN
O=CC(C)Br6955136.976C3H5BrO2-bromopropanalN105O=CC(C)BrInChI=1S/C3H5BrO/c1-3(4)2-5/h2-3H,1H3InChIKey=BJRXZMCJFCAZDL-UHFFFAOYSA-N109.5Ex 123.92(BP est) -52.05(MP est) ----(BP exp) ----(MP exp) O=CC(C)Br -52.1PredN
BrC1COC16956136.976C3H5BrO3-bromooxetaneN105BrC1COC1InChI=1S/C3H5BrO/c4-3-1-5-2-3/h3H,1-2H2InChIKey=SZTIZZFKWQWSSP-UHFFFAOYSA-N114.6Ex 114.59(BP est) -47.78(MP est) ----(BP exp) ----(MP exp) BrC1COC1 -47.8PredN
OC(C=CBr)6957136.976C3H5BrO3-bromoprop-2-en-1-olN105OC(C=CBr)InChI=1S/C3H5BrO/c4-2-1-3-5/h1-2,5H,3H2InChIKey=JVADCGLQZLOZJL-UHFFFAOYSA-N170.9Ex 170.89(BP est) -23.97(MP est) ----(BP exp) ----(MP exp) OC(C=CBr) -24PredN
O=CCCBr6958136.976C3H5BrO3-bromopropanalN105O=CCCBrInChI=1S/C3H5BrO/c4-2-1-3-5/h3H,1-2H2InChIKey=WGKZCFPJVPNRAV-UHFFFAOYSA-N137.7Ex 137.68(BP est) -40.53(MP est) ----(BP exp) ----(MP exp) O=CCCBr -40.5PredN
BrC1=CS16959136.994C2HBrS2-bromothiireneN54BrC1=CS1InChI=1S/C2HBrS/c3-2-1-4-2/h1HInChIKey=ODFZZVYCAFVHKP-UHFFFAOYSA-N131.5Ex 131.50(BP est) -12.51(MP est) ----(BP exp) ----(MP exp) BrC1=CS1 -12.5PredN
CC(CBr)C6960137.02C4H9Br1-bromo-2-methylpropaneN145CC(CBr)CInChI=1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3InChIKey=HLVFKOKELQSXIQ-UHFFFAOYSA-N91.2Ex 87.38(BP est) -78.08(MP est) 91.10(BP exp) -119.00(MP exp) CC(CBr)C -119ExptN
CCCCBr6961137.02C4H9Br1-bromobutaneN145CCCCBrInChI=1S/C4H9Br/c1-2-3-4-5/h2-4H2,1H3InChIKey=MPPPKRYCTPRNTB-UHFFFAOYSA-N98.6Ex 101.98(BP est) -66.32(MP est) 101.30(BP exp) -112.40(MP exp) CCCCBr -112.4ExptY(Gribble 2009)
BrC(C)(C)C6962137.02C4H9Br2-bromo-2-methylpropaneN145BrC(C)(C)CInChI=1S/C4H9Br/c1-4(2,3)5/h1-3H3InChIKey=RKSOPLXZQNSWAS-UHFFFAOYSA-N73.1Ex 77.60(BP est) -72.23(MP est) 73.30(BP exp) -16.20(MP exp) BrC(C)(C)C -16.2ExptN
CCC(C)Br6963137.02C4H9Br2-bromobutaneN145CCC(C)BrInChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3InChIKey=UPSXAPQYNGXVBF-UHFFFAOYSA-N91.1Ex 87.38(BP est) -78.08(MP est) 91.20(BP exp) -112.00(MP exp) CCC(C)Br -112ExptN
C(Cl)(Cl)(Cl)(F)6971137.359CCl3FtrichlorofluoromethaneN55C(Cl)(Cl)(Cl)(F)InChI=1S/CCl3F/c2-1(3,4)5InChIKey=CYRMSUTZVYGINF-UHFFFAOYSA-N23.5Ex 42.46(BP est) -84.11(MP est) 23.70(BP exp) -111.10(MP exp) C(Cl)(Cl)(Cl)(F) -111.1ExptN
BrC(N1)=C1F6973137.939C2HBrFN2-bromo-3-fluoro-1H-azirineN65BrC(N1)=C1FInChI=1S/C2HBrFN/c3-1-2(4)5-1/h5HInChIKey=BDOBSRGMPWJLPX-UHFFFAOYSA-N128.5Ex 128.47(BP est) 6.95(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1F 7PredN
BrCC(N)=O6974137.964C2H4BrNO2-bromoacetamideN95BrCC(N)=OInChI=1S/C2H4BrNO/c3-1-2(4)5/h1H2,(H2,4,5)InChIKey=JUIKUQOUMZUFQT-UHFFFAOYSA-N240.5Ex 240.46(BP est) 53.57(MP est) ----(BP exp) 88.00(MP exp) BrCC(N)=O 88ExptN
BrC1N(O)C16975137.964C2H4BrNO2-bromoaziridin-1-olN95BrC1N(O)C1InChI=1S/C2H4BrNO/c3-2-1-4(2)5/h2,5H,1H2InChIKey=YPYZULJONKQWKC-UHFFFAOYSA-N243.9Ex 243.88(BP est) 44.29(MP est) ----(BP exp) ----(MP exp) BrC1N(O)C1 44.3PredN
BrC1NOC16976137.964C2H4BrNO3-bromo-1,2-oxazetidineN95BrC1NOC1InChI=1S/C2H4BrNO/c3-2-1-5-4-2/h2,4H,1H2InChIKey=BFCRLCIQCTVLFR-UHFFFAOYSA-N151.3Ex 151.26(BP est) 9.81(MP est) ----(BP exp) ----(MP exp) BrC1NOC1 9.8PredN
BrC1CNO16977137.964C2H4BrNO4-bromo-1,2-oxazetidineN95BrC1CNO1InChI=1S/C2H4BrNO/c3-2-1-4-5-2/h2,4H,1H2InChIKey=VYFMGHLZQUSJBQ-UHFFFAOYSA-N151.3Ex 151.26(BP est) 9.81(MP est) ----(BP exp) ----(MP exp) BrC1CNO1 9.8PredN
BrC(NO)=C6978137.964C2H4BrNON-(1-bromovinyl)hydroxylamineN95BrC(NO)=CInChI=1S/C2H4BrNO/c1-2(3)4-5/h4-5H,1H2InChIKey=QGMGQQQTGKNUMD-UHFFFAOYSA-N190.6Ex 190.59(BP est) -2.84(MP est) ----(BP exp) ----(MP exp) BrC(NO)=C -2.8PredN
NOC(Br)=C6979137.964C2H4BrNOO-(1-bromovinyl)hydroxylamineN95NOC(Br)=CInChI=1S/C2H4BrNO/c1-2(3)5-4/h1,4H2InChIKey=CWMFNJIWLRRTQQ-UHFFFAOYSA-N133.3Ex 133.32(BP est) -23.55(MP est) ----(BP exp) ----(MP exp) NOC(Br)=C -23.6PredN
NOC=CBr6980137.964C2H4BrNOO-(2-bromovinyl)hydroxylamineN95NOC=CBrInChI=1S/C2H4BrNO/c3-1-2-5-4/h1-2H,4H2InChIKey=GVZDCKFUQPNXRZ-UHFFFAOYSA-N148.0Ex 148.04(BP est) -13.94(MP est) ----(BP exp) ----(MP exp) NOC=CBr -13.9PredN
CN(CBr)C6983138.008C3H8BrN1-bromo-N,N-dimethylmethanamineN135CN(CBr)CInChI=1S/C3H8BrN/c1-5(2)3-4/h3H2,1-2H3InChIKey=QWZONZYNHJSSDY-UHFFFAOYSA-N101.3Ex 101.31(BP est) -55.91(MP est) ----(BP exp) ----(MP exp) CN(CBr)C -55.9PredN
CNC(C)Br6984138.008C3H8BrN1-bromo-N-methylethan-1-amineN135CNC(C)BrInChI=1S/C3H8BrN/c1-3(4)5-2/h3,5H,1-2H3InChIKey=PVJMJBQSRGSLNS-UHFFFAOYSA-N108.3Ex 108.33(BP est) -51.27(MP est) ----(BP exp) ----(MP exp) CNC(C)Br -51.3PredN
NC(CC)Br6985138.008C3H8BrN1-bromopropan-1-amineN135NC(CC)BrInChI=1S/C3H8BrN/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=AWKLUAZCKWQUNR-UHFFFAOYSA-N126.6Ex 126.60(BP est) -30.64(MP est) ----(BP exp) ----(MP exp) NC(CC)Br -30.6PredN
NC(CBr)C6986138.008C3H8BrN1-bromopropan-2-amineN135NC(CBr)CInChI=1S/C3H8BrN/c1-3(5)2-4/h3H,2,5H2,1H3InChIKey=IIAAPVKJGZWWGF-UHFFFAOYSA-N126.6Ex 126.60(BP est) -30.64(MP est) ----(BP exp) ----(MP exp) NC(CBr)C -30.6PredN
CNCCBr6987138.008C3H8BrN2-bromo-N-methylethan-1-amineN135CNCCBrInChI=1S/C3H8BrN/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=CRZZYXUUPZTFGR-UHFFFAOYSA-N122.5Ex 122.46(BP est) -39.64(MP est) ----(BP exp) ----(MP exp) CNCCBr -39.6PredN
NCC(C)Br6988138.008C3H8BrN2-bromopropan-1-amineN135NCC(C)BrInChI=1S/C3H8BrN/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=VZMADPLDJHHHFI-UHFFFAOYSA-N126.6Ex 126.60(BP est) -30.64(MP est) ----(BP exp) ----(MP exp) NCC(C)Br -30.6PredN
NC(C)(C)Br6989138.008C3H8BrN2-bromopropan-2-amineN135NC(C)(C)BrInChI=1S/C3H8BrN/c1-3(2,4)5/h5H2,1-2H3InChIKey=DIVCXNJNHOWLCP-UHFFFAOYSA-N117.4Ex 117.41(BP est) -24.61(MP est) ----(BP exp) ----(MP exp) NC(C)(C)Br -24.6PredN
NCCCBr6990138.008C3H8BrN3-bromopropan-1-amineN135NCCCBrInChI=1S/C3H8BrN/c4-2-1-3-5/h1-3,5H2InChIKey=ZTGQZSKPSJUEBU-UHFFFAOYSA-N140.3Ex 140.30(BP est) -19.13(MP est) ----(BP exp) ----(MP exp) NCCCBr -19.1PredN
BrCNCC6991138.008C3H8BrNN-(bromomethyl)ethanamineN135BrCNCCInChI=1S/C3H8BrN/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=VJFSPKUBTUQLAU-UHFFFAOYSA-N122.5Ex 122.46(BP est) -39.64(MP est) ----(BP exp) ----(MP exp) BrCNCC -39.6PredN
S1SSCCC16996138.261C3H6S31,2,3-trithianeN126S1SSCCC1InChI=1S/C3H6S3/c1-2-4-6-5-3-1/h1-3H2InChIKey=BVOMRRWJQOJMPA-UHFFFAOYSA-N205.8Ex 205.84(BP est) 28.49(MP est) ----(BP exp) ----(MP exp) S1SSCCC1 28.5PredY(DNP 2017)
S1SCSCC16997138.261C3H6S31,2,4-trithianeN126S1SCSCC1InChI=1S/C3H6S3/c1-2-5-6-3-4-1/h1-3H2InChIKey=CKNHWDCFHMOKLL-UHFFFAOYSA-N205.8Ex 205.84(BP est) 28.49(MP est) ----(BP exp) ----(MP exp) S1SCSCC1 28.5PredY(DNP 2017)
S1CSCSC16998138.261C3H6S31,3,5-trithianeN126S1CSCSC1InChI=1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2InChIKey=LORRLQMLLQLPSJ-UHFFFAOYSA-N376.3Ex 205.84(BP est) 28.49(MP est) ----(BP exp) 220.00(MP exp) S1CSCSC1 220ExptY(Dickschat 2014)
CSC(SC)=S6999138.261C3H6S3dimethyl carbonotrithioateN126CSC(SC)=SInChI=1S/C3H6S3/c1-5-3(4)6-2/h1-2H3InChIKey=IQWMXKTYXNMSLC-UHFFFAOYSA-N208.0Ex 208.01(BP est) 2.87(MP est) ----(BP exp) ----(MP exp) CSC(SC)=S 2.9PredN
BrC(O1)=C1F7005138.923C2BrFO2-bromo-3-fluorooxireneN55BrC(O1)=C1FInChI=1S/C2BrFO/c3-1-2(4)5-1InChIKey=JXRMSGCPLNEXEW-UHFFFAOYSA-N96.9Ex 96.86(BP est) -41.51(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1F -41.5PredN
PC(Br)=C7006138.932C2H4BrP(1-bromovinyl)phosphaneN84PC(Br)=CInChI=1S/C2H4BrP/c1-2(3)4/h1,4H2InChIKey=WCENSIPHIDKBHP-UHFFFAOYSA-N106.4Ex 106.40(BP est) -68.47(MP est) ----(BP exp) ----(MP exp) PC(Br)=C -68.5PredN
PC=CBr7007138.932C2H4BrP(2-bromovinyl)phosphaneN84PC=CBrInChI=1S/C2H4BrP/c3-1-2-4/h1-2H,4H2InChIKey=QRZKNHXVNVNUCD-UHFFFAOYSA-N121.8Ex 121.80(BP est) -58.66(MP est) ----(BP exp) ----(MP exp) PC=CBr -58.7PredN
BrC1CP17008138.932C2H4BrP2-bromophosphiraneN84BrC1CP1InChI=1S/C2H4BrP/c3-2-1-4-2/h2,4H,1H2InChIKey=FDKRBLCBRCTOCV-UHFFFAOYSA-N96.0Ex 96.02(BP est) -61.10(MP est) ----(BP exp) ----(MP exp) BrC1CP1 -61.1PredN
OC(=O)C(Br)7009138.948C2H3BrO22-bromoacetic acidN85OC(=O)C(Br)InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)InChIKey=KDPAWGWELVVRCH-UHFFFAOYSA-N207.8Ex 192.67(BP est) 29.19(MP est) 208.00(BP exp) 50.00(MP exp) OC(=O)C(Br) 50ExptY(Kladi et al. 2004)
C(C1)(C1(Br)F)7010138.967C3H4BrF1-bromo-1-fluorocyclopropaneN95C(C1)(C1(Br)F)InChI=1S/C3H4BrF/c4-3(5)1-2-3/h1-2H2InChIKey=CDEMNZVZNYDMGG-UHFFFAOYSA-N71.1Ex 71.09(BP est) -59.76(MP est) ----(BP exp) ----(MP exp) C(C1)(C1(Br)F) -59.8PredN
C(C=C(Br)F)7011138.967C3H4BrF1-bromo-1-fluoroprop-1-eneN95C(C=C(Br)F)InChI=1S/C3H4BrF/c1-2-3(4)5/h2H,1H3InChIKey=FTCCJYUDFDKECY-UHFFFAOYSA-N80.9Ex 80.87(BP est) -87.34(MP est) ----(BP exp) ----(MP exp) C(C=C(Br)F) -87.3PredN
C(C1Br)(C1F)7012138.967C3H4BrF1-bromo-2-fluorocyclopropaneN95C(C1Br)(C1F)InChI=1S/C3H4BrF/c4-2-1-3(2)5/h2-3H,1H2InChIKey=QGUCACBCRXRFMI-UHFFFAOYSA-N77.0Ex 77.03(BP est) -72.09(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1F) -72.1PredN
C(C(F)=CBr)7013138.967C3H4BrF1-bromo-2-fluoroprop-1-eneN95C(C(F)=CBr)InChI=1S/C3H4BrF/c1-3(5)2-4/h2H,1H3InChIKey=SNACNSSQFKODJQ-UHFFFAOYSA-N80.9Ex 80.87(BP est) -87.34(MP est) ----(BP exp) ----(MP exp) C(C(F)=CBr) -87.3PredN
C(F)(C=CBr)7014138.967C3H4BrF1-bromo-3-fluoroprop-1-eneN95C(F)(C=CBr)InChI=1S/C3H4BrF/c4-2-1-3-5/h1-2H,3H2InChIKey=UMAFYAADVHXCHJ-UHFFFAOYSA-N87.6Ex 87.59(BP est) -78.40(MP est) ----(BP exp) ----(MP exp) C(F)(C=CBr) -78.4PredN
C(C(Br)=CF)7015138.967C3H4BrF2-bromo-1-fluoroprop-1-eneN95C(C(Br)=CF)InChI=1S/C3H4BrF/c1-3(4)2-5/h2H,1H3InChIKey=RXAXRWUGDYABTA-UHFFFAOYSA-N80.9Ex 80.87(BP est) -87.34(MP est) ----(BP exp) ----(MP exp) C(C(Br)=CF) -87.3PredN
C(F)(C(Br)=C)7016138.967C3H4BrF2-bromo-3-fluoroprop-1-eneN95C(F)(C(Br)=C)InChI=1S/C3H4BrF/c1-3(4)2-5/h1-2H2InChIKey=FQRNRVRRDJTLRQ-UHFFFAOYSA-N71.3Ex 71.34(BP est) -88.46(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)=C) -88.5PredN
C(Br)(C=CF)7017138.967C3H4BrF3-bromo-1-fluoroprop-1-eneN95C(Br)(C=CF)InChI=1S/C3H4BrF/c4-2-1-3-5/h1,3H,2H2InChIKey=CKGCNSPBWYDWQF-UHFFFAOYSA-N87.6Ex 87.59(BP est) -78.40(MP est) ----(BP exp) ----(MP exp) C(Br)(C=CF) -78.4PredN
C(Br)(C(F)=C)7018138.967C3H4BrF3-bromo-2-fluoroprop-1-eneN95C(Br)(C(F)=C)InChI=1S/C3H4BrF/c1-3(5)2-4/h1-2H2InChIKey=VUMRYHRCTVLGCK-UHFFFAOYSA-N71.3Ex 71.34(BP est) -88.46(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)=C) -88.5PredN
C(Br)(F)(C=C)7019138.967C3H4BrF3-bromo-3-fluoroprop-1-eneN95C(Br)(F)(C=C)InChI=1S/C3H4BrF/c1-2-3(4)5/h2-3H,1H2InChIKey=AXXDXAWCDCBQEG-UHFFFAOYSA-N63.0Ex 63.01(BP est) -91.41(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C=C) -91.4PredN
BrCOCC7020138.992C3H7BrO(bromomethoxy)ethaneN125BrCOCCInChI=1S/C3H7BrO/c1-2-5-3-4/h2-3H2,1H3InChIKey=CYYWAXVARNZFBI-UHFFFAOYSA-N102.9Ex 102.91(BP est) -60.57(MP est) ----(BP exp) ----(MP exp) BrCOCC -60.6PredN
COC(C)Br7021138.992C3H7BrO1-bromo-1-methoxyethaneN125COC(C)BrInChI=1S/C3H7BrO/c1-3(4)5-2/h3H,1-2H3InChIKey=XGLJSPFXMGSGKC-UHFFFAOYSA-N88.3Ex 88.33(BP est) -72.32(MP est) ----(BP exp) ----(MP exp) COC(C)Br -72.3PredN
COCCBr7022138.992C3H7BrO1-bromo-2-methoxyethaneN125COCCBrInChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3InChIKey=YZUPZGFPHUVJKC-UHFFFAOYSA-N109.0Ex 102.91(BP est) -60.57(MP est) ----(BP exp) ----(MP exp) COCCBr -60.6PredN
OC(CC)Br7023138.992C3H7BrO1-bromopropan-1-olN125OC(CC)BrInChI=1S/C3H7BrO/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=JCERKCRUSDOWLT-UHFFFAOYSA-N144.0Ex 144.04(BP est) -36.76(MP est) ----(BP exp) ----(MP exp) OC(CC)Br -36.8PredN
OC(CBr)C7024138.992C3H7BrO1-bromopropan-2-olN125OC(CBr)CInChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=WEGOLYBUWCMMMY-UHFFFAOYSA-N144.0Ex 144.04(BP est) -36.76(MP est) 146.50(BP exp) ----(MP exp) OC(CBr)C -36.8PredN
OCC(C)Br7025138.992C3H7BrO2-bromopropan-1-olN125OCC(C)BrInChI=1S/C3H7BrO/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=DBTWOTKWIVISQR-UHFFFAOYSA-N151.2Ex 151.21(BP est) -34.67(MP est) ----(BP exp) ----(MP exp) OCC(C)Br -34.7PredN
OC(C)(C)Br7026138.992C3H7BrO2-bromopropan-2-olN125OC(C)(C)BrInChI=1S/C3H7BrO/c1-3(2,4)5/h5H,1-2H3InChIKey=KQNBBQSOHFVNDL-UHFFFAOYSA-N124.5Ex 124.45(BP est) -33.77(MP est) ----(BP exp) ----(MP exp) OC(C)(C)Br -33.8PredN
OC(CCBr)7027138.992C3H7BrO3-bromopropan-1-olN125OC(CCBr)InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2InChIKey=RQFUZUMFPRMVDX-UHFFFAOYSA-N164.3Ex 164.32(BP est) -23.34(MP est) ----(BP exp) ----(MP exp) OC(CCBr) -23.3PredN
NNC(C)Br7028138.996C2H7BrN2(1-bromoethyl)hydrazineN125NNC(C)BrInChI=1S/C2H7BrN2/c1-2(3)5-4/h2,5H,4H2,1H3InChIKey=ITLHBZOEKKBHCB-UHFFFAOYSA-N146.3Ex 146.26(BP est) -4.20(MP est) ----(BP exp) ----(MP exp) NNC(C)Br -4.2PredN
NNCCBr7029138.996C2H7BrN2(2-bromoethyl)hydrazineN125NNCCBrInChI=1S/C2H7BrN2/c3-1-2-5-4/h5H,1-2,4H2InChIKey=LDISDPBIDUIBOC-UHFFFAOYSA-N159.5Ex 159.49(BP est) 7.16(MP est) ----(BP exp) ----(MP exp) NNCCBr 7.2PredN
CN(N)CBr7030138.996C2H7BrN21-(bromomethyl)-1-methylhydrazineN125CN(N)CBrInChI=1S/C2H7BrN2/c1-5(4)2-3/h2,4H2,1H3InChIKey=XSZRUSPXQNEPRX-UHFFFAOYSA-N139.7Ex 139.67(BP est) -8.72(MP est) ----(BP exp) ----(MP exp) CN(N)CBr -8.7PredN
CNNCBr7031138.996C2H7BrN21-(bromomethyl)-2-methylhydrazineN125CNNCBrInChI=1S/C2H7BrN2/c1-4-5-2-3/h4-5H,2H2,1H3InChIKey=UCUVRUQZVYKIAP-UHFFFAOYSA-N142.3Ex 142.26(BP est) -13.17(MP est) ----(BP exp) ----(MP exp) CNNCBr -13.2PredN
BrC1CS17032139.01C2H3BrS2-bromothiiraneN74BrC1CS1InChI=1S/C2H3BrS/c3-2-1-4-2/h2H,1H2InChIKey=VNJXOTHGOOUHSW-UHFFFAOYSA-N123.8Ex 123.80(BP est) -23.52(MP est) ----(BP exp) ----(MP exp) BrC1CS1 -23.5PredN
ClC#CBr7035139.376C2BrCl1-bromo-2-chloroethyneN44ClC#CBrInChI=1S/C2BrCl/c3-1-2-4InChIKey=MTFOKIURMVQHRC-UHFFFAOYSA-N107.3Ex 107.32(BP est) -8.02(MP est) ----(BP exp) ----(MP exp) ClC#CBr -8PredN
BrC1(F)CN17038139.955C2H3BrFN2-bromo-2-fluoroaziridineN85BrC1(F)CN1InChI=1S/C2H3BrFN/c3-2(4)1-5-2/h5H,1H2InChIKey=VRZIXAPZNMHJIW-UHFFFAOYSA-N110.4Ex 110.38(BP est) -1.41(MP est) ----(BP exp) ----(MP exp) BrC1(F)CN1 -1.4PredN
BrC1C(F)N17039139.955C2H3BrFN2-bromo-3-fluoroaziridineN85BrC1C(F)N1InChI=1S/C2H3BrFN/c3-1-2(4)5-1/h1-2,5HInChIKey=ZTPLLOYVFAATAS-UHFFFAOYSA-N116.0Ex 115.97(BP est) -13.84(MP est) ----(BP exp) ----(MP exp) BrC1C(F)N1 -13.8PredN
NCOCBr7041139.98C2H6BrNO(bromomethoxy)methanamineN115NCOCBrInChI=1S/C2H6BrNO/c3-1-5-2-4/h1-2,4H2InChIKey=BOAMOJMGKWJFIX-UHFFFAOYSA-N141.2Ex 141.17(BP est) -13.40(MP est) ----(BP exp) ----(MP exp) NCOCBr -13.4PredN
NCC(O)(Br)7042139.98C2H6BrNO2-amino-1-bromoethan-1-olN115NCC(O)(Br)InChI=1S/C2H6BrNO/c3-2(5)1-4/h2,5H,1,4H2InChIKey=DZUMFNGQHXQAFZ-UHFFFAOYSA-N179.7Ex 179.65(BP est) 9.63(MP est) ----(BP exp) ----(MP exp) NCC(O)(Br) 9.6PredN
NC(Br)C(O)7043139.98C2H6BrNO2-amino-2-bromoethan-1-olN115NC(Br)C(O)InChI=1S/C2H6BrNO/c3-2(4)1-5/h2,5H,1,4H2InChIKey=XKDQAHHALQAAEQ-UHFFFAOYSA-N186.3Ex 186.34(BP est) 11.58(MP est) ----(BP exp) ----(MP exp) NC(Br)C(O) 11.6PredN
NC(OC)Br7044139.98C2H6BrNObromo(methoxy)methanamineN115NC(OC)BrInChI=1S/C2H6BrNO/c1-5-2(3)4/h2H,4H2,1H3InChIKey=HUUDEGGSCVQTNL-UHFFFAOYSA-N127.5Ex 127.49(BP est) -24.89(MP est) ----(BP exp) ----(MP exp) NC(OC)Br -24.9PredN
BrC(C)NO7045139.98C2H6BrNON-(1-bromoethyl)hydroxylamineN115BrC(C)NOInChI=1S/C2H6BrNO/c1-2(3)4-5/h2,4-5H,1H3InChIKey=MMRKUVHWHODOGU-UHFFFAOYSA-N185.4Ex 185.38(BP est) -4.00(MP est) ----(BP exp) ----(MP exp) BrC(C)NO -4PredN
BrCN(O)C7046139.98C2H6BrNON-(bromomethyl)-N-methylhydroxylamineN115BrCN(O)CInChI=1S/C2H6BrNO/c1-4(5)2-3/h5H,2H2,1H3InChIKey=JXPJTYFBRUAAOR-UHFFFAOYSA-N242.5Ex 242.48(BP est) 33.16(MP est) ----(BP exp) ----(MP exp) BrCN(O)C 33.2PredN
BrCNOC7047139.98C2H6BrNON-(bromomethyl)-O-methylhydroxylamineN115BrCNOCInChI=1S/C2H6BrNO/c1-5-4-2-3/h4H,2H2,1H3InChIKey=TVMHTYLAXQTTAK-UHFFFAOYSA-N123.4Ex 123.36(BP est) -33.90(MP est) ----(BP exp) ----(MP exp) BrCNOC -33.9PredN
NOC(C)Br7048139.98C2H6BrNOO-(1-bromoethyl)hydroxylamineN115NOC(C)BrInChI=1S/C2H6BrNO/c1-2(3)5-4/h2H,4H2,1H3InChIKey=XXPXNASQLUCYSH-UHFFFAOYSA-N127.5Ex 127.49(BP est) -24.89(MP est) ----(BP exp) ----(MP exp) NOC(C)Br -24.9PredN
NOCCBr7049139.98C2H6BrNOO-(2-bromoethyl)hydroxylamineN115NOCCBrInChI=1S/C2H6BrNO/c3-1-2-5-4/h1-2,4H2InChIKey=VNRCHSPQYNKHIQ-UHFFFAOYSA-N141.2Ex 141.17(BP est) -13.40(MP est) ----(BP exp) ----(MP exp) NOCCBr -13.4PredN
CNOCBr7050139.98C2H6BrNOO-(bromomethyl)-N-methylhydroxylamineN115CNOCBrInChI=1S/C2H6BrNO/c1-4-5-2-3/h4H,2H2,1H3InChIKey=IEWVSRHHHBIIMR-UHFFFAOYSA-N123.4Ex 123.36(BP est) -33.90(MP est) ----(BP exp) ----(MP exp) CNOCBr -33.9PredN
S(P(SC)C)C7052140.199C3H9PS2dimethyl methylphosphonodithioiteN156S(P(SC)C)CInChI=1S/C3H9PS2/c1-4(5-2)6-3/h1-3H3InChIKey=LGXBYLPQWNACTH-UHFFFAOYSA-N174.1Ex 174.09(BP est) -39.59(MP est) ----(BP exp) ----(MP exp) S(P(SC)C)C -39.6PredN
CP(C)(=S)SC7053140.199C3H9PS2methyl dimethylphosphinodithioateN156CP(C)(=S)SCInChI=1S/C3H9PS2/c1-4(2,5)6-3/h1-3H3InChIKey=RJDFYOFAKQIVMA-UHFFFAOYSA-N162.5Ex 162.50(BP est) -110.17(MP est) ----(BP exp) ----(MP exp) CP(C)(=S)SC -110.2PredN
C1SCS(=O)S17054140.233C2H4OS31,2,4-trithiolane 1-oxideN106C1SCS(=O)S1InChI=1S/C2H4OS3/c3-6-2-4-1-5-6/h1-2H2InChIKey=HBKXTGFWWYWFAQ-UHFFFAOYSA-N251.1Ex 251.05(BP est) 59.52(MP est) ----(BP exp) ----(MP exp) C1SCS(=O)S1 59.5PredY(DNP 2017)
CSSSC(C)7055140.277C3H8S31-ethyl-3-methyltrisulfaneN146CSSSC(C)InChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3InChIKey=XEKUTWIJPKGAQT-UHFFFAOYSA-N197.8Ex 197.75(BP est) -22.29(MP est) ----(BP exp) ----(MP exp) CSSSC(C) -22.3PredY(Irwin et al. 2012, DNP 2017)
CSCSSC7056140.277C3H8S31-methyl-2-((methylthio)methyl)disulfaneN146CSCSSCInChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3InChIKey=MYIOBINSHMEDEY-UHFFFAOYSA-N197.8Ex 197.75(BP est) -22.29(MP est) ----(BP exp) ----(MP exp) CSCSSC -22.3PredY(DNP 2017)
SCC(S)CS7058140.277C3H8S3propane-1,2,3-trithiolN146SCC(S)CSInChI=1S/C3H8S3/c4-1-3(6)2-5/h3-6H,1-2H2InChIKey=UWHMFGKZAYHMDJ-UHFFFAOYSA-N221.1Ex 221.06(BP est) -19.90(MP est) ----(BP exp) ----(MP exp) SCC(S)CS -19.9PredN
O=PCBr7065140.904CH2BrOP(bromomethyl)(oxo)phosphaneN64O=PCBrInChI=1S/CH2BrOP/c2-1-4-3/h1H2InChIKey=XXQSLKKCIGEQIS-UHFFFAOYSA-N137.3Ex 137.34(BP est) -39.72(MP est) ----(BP exp) ----(MP exp) O=PCBr -39.7PredN
ClC(C#C)(P)Cl7066140.931C3H3Cl2P(1,1-dichloroprop-2-yn-1-yl)phosphaneN96ClC(C#C)(P)ClInChI=1S/C3H3Cl2P/c1-2-3(4,5)6/h1H,6H2InChIKey=ZHLSDOSKODIIBK-UHFFFAOYSA-N121.3Ex 121.30(BP est) -25.91(MP est) ----(BP exp) ----(MP exp) ClC(C#C)(P)Cl -25.9PredN
ClC(P)C#CCl7067140.931C3H3Cl2P(1,3-dichloroprop-2-yn-1-yl)phosphaneN96ClC(P)C#CClInChI=1S/C3H3Cl2P/c4-2-1-3(5)6/h3H,6H2InChIKey=BKMWNLWXXRLCAI-UHFFFAOYSA-N149.1Ex 149.06(BP est) 3.05(MP est) ----(BP exp) ----(MP exp) ClC(P)C#CCl 3.1PredN
ClCPC#CCl7068140.931C3H3Cl2P(chloroethynyl)(chloromethyl)phosphaneN96ClCPC#CClInChI=1S/C3H3Cl2P/c4-1-2-6-3-5/h6H,3H2InChIKey=YLWCMJMVNRIGIJ-UHFFFAOYSA-N155.4Ex 155.42(BP est) 4.22(MP est) ----(BP exp) ----(MP exp) ClCPC#CCl 4.2PredN
ClC(PC#C)Cl7069140.931C3H3Cl2P(dichloromethyl)(ethynyl)phosphaneN96ClC(PC#C)ClInChI=1S/C3H3Cl2P/c1-2-6-3(4)5/h1,3,6HInChIKey=IUQJOBVWFWWUSU-UHFFFAOYSA-N135.7Ex 135.65(BP est) -38.62(MP est) ----(BP exp) ----(MP exp) ClC(PC#C)Cl -38.6PredN
ClC1(Cl)C=CP17070140.931C3H3Cl2P2,2-dichloro-1,2-dihydrophospheteN96ClC1(Cl)C=CP1InChI=1S/C3H3Cl2P/c4-3(5)1-2-6-3/h1-2,6HInChIKey=XRTNJGMFEFXXRW-UHFFFAOYSA-N111.1Ex 111.07(BP est) -40.48(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C=CP1 -40.5PredN
ClC1C(Cl)=CP17071140.931C3H3Cl2P2,3-dichloro-1,2-dihydrophospheteN96ClC1C(Cl)=CP1InChI=1S/C3H3Cl2P/c4-2-1-6-3(2)5/h1,3,6HInChIKey=GJTOBCVNAXQVCW-UHFFFAOYSA-N131.9Ex 131.88(BP est) -40.09(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)=CP1 -40.1PredN
ClC1C=C(Cl)P17072140.931C3H3Cl2P2,4-dichloro-1,2-dihydrophospheteN96ClC1C=C(Cl)P1InChI=1S/C3H3Cl2P/c4-2-1-3(5)6-2/h1-2,6HInChIKey=TWQBADQXSFKLAC-UHFFFAOYSA-N131.9Ex 131.88(BP est) -40.09(MP est) ----(BP exp) ----(MP exp) ClC1C=C(Cl)P1 -40.1PredN
ClC1=C(CP1)Cl7073140.931C3H3Cl2P3,4-dichloro-1,2-dihydrophospheteN96ClC1=C(CP1)ClInChI=1S/C3H3Cl2P/c4-2-1-6-3(2)5/h6H,1H2InChIKey=BEKBMIUAPGHKOD-UHFFFAOYSA-N122.0Ex 122.02(BP est) -34.59(MP est) ----(BP exp) ----(MP exp) ClC1=C(CP1)Cl -34.6PredN
C(=O)C(Br)(F)7074140.939C2H2BrFO2-bromo-2-fluoroacetaldehydeN75C(=O)C(Br)(F)InChI=1S/C2H2BrFO/c3-2(4)1-5/h1-2HInChIKey=KLNXUTSCUIBQGB-UHFFFAOYSA-N102.7Ex 102.70(BP est) -63.58(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(F) -63.6PredN
BrC1(F)CO17075140.939C2H2BrFO2-bromo-2-fluorooxiraneN75BrC1(F)CO1InChI=1S/C2H2BrFO/c3-2(4)1-5-2/h1H2InChIKey=QWYYSWRNASOMKB-UHFFFAOYSA-N77.8Ex 77.83(BP est) -50.14(MP est) ----(BP exp) ----(MP exp) BrC1(F)CO1 -50.1PredN
BrC1C(F)O17076140.939C2H2BrFO2-bromo-3-fluorooxiraneN75BrC1C(F)O1InChI=1S/C2H2BrFO/c3-1-2(4)5-1/h1-2HInChIKey=NXRWJKDPOXCKCF-UHFFFAOYSA-N83.7Ex 83.71(BP est) -62.49(MP est) ----(BP exp) ----(MP exp) BrC1C(F)O1 -62.5PredN
BrC(P)C7077140.948C2H6BrP(1-bromoethyl)phosphaneN104BrC(P)CInChI=1S/C2H6BrP/c1-2(3)4/h2H,4H2,1H3InChIKey=ZKCYOBYDFZEANB-UHFFFAOYSA-N100.3Ex 100.30(BP est) -69.89(MP est) ----(BP exp) ----(MP exp) BrC(P)C -69.9PredN
BrCCP7078140.948C2H6BrP(2-bromoethyl)phosphaneN104BrCCPInChI=1S/C2H6BrP/c3-1-2-4/h1-2,4H2InChIKey=WGOFPKMSBCPTEJ-UHFFFAOYSA-N114.6Ex 114.62(BP est) -58.21(MP est) ----(BP exp) ----(MP exp) BrCCP -58.2PredN
CPCBr7079140.948C2H6BrP(bromomethyl)(methyl)phosphaneN104CPCBrInChI=1S/C2H6BrP/c1-4-2-3/h4H,2H2,1H3InChIKey=MJYMGGJVPPDNBK-UHFFFAOYSA-N94.1Ex 94.12(BP est) -72.38(MP est) ----(BP exp) ----(MP exp) CPCBr -72.4PredN
OCOC(Br)7080140.964C2H5BrO2(bromomethoxy)methanolN105OCOC(Br)InChI=1S/C2H5BrO2/c3-1-5-2-4/h4H,1-2H2InChIKey=BRNPYRSCXMCINX-UHFFFAOYSA-N165.2Ex 165.15(BP est) -17.62(MP est) ----(BP exp) ----(MP exp) OCOC(Br) -17.6PredN
OC(OC)Br7081140.964C2H5BrO2bromo(methoxy)methanolN105OC(OC)BrInChI=1S/C2H5BrO2/c1-5-2(3)4/h2,4H,1H3InChIKey=QFLPEGCEUNTPRE-UHFFFAOYSA-N144.9Ex 144.91(BP est) -31.03(MP est) ----(BP exp) ----(MP exp) OC(OC)Br -31PredN
C(CC(Br)F)7082140.983C3H6BrF1-bromo-1-fluoropropaneN115C(CC(Br)F)InChI=1S/C3H6BrF/c1-2-3(4)5/h3H,2H2,1H3InChIKey=ZAONJNQXCRQBQZ-UHFFFAOYSA-N64.9Ex 64.91(BP est) -89.98(MP est) ----(BP exp) ----(MP exp) C(CC(Br)F) -90PredN
C(C(F)CBr)7083140.983C3H6BrF1-bromo-2-fluoropropaneN115C(C(F)CBr)InChI=1S/C3H6BrF/c1-3(5)2-4/h3H,2H2,1H3InChIKey=DFMOYZCKOYEADZ-UHFFFAOYSA-N88.5Ex 64.91(BP est) -89.98(MP est) ----(BP exp) ----(MP exp) C(C(F)CBr) -90PredN
C(Br)(CCF)7084140.983C3H6BrF1-bromo-3-fluoropropaneN115C(Br)(CCF)InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2InChIKey=VNHWPVLQRKKKRY-UHFFFAOYSA-N100.8Ex 80.00(BP est) -78.07(MP est) 101.40(BP exp) ----(MP exp) C(Br)(CCF) -78.1PredN
C(C(Br)CF)7085140.983C3H6BrF2-bromo-1-fluoropropaneN115C(C(Br)CF)InChI=1S/C3H6BrF/c1-3(4)2-5/h3H,2H2,1H3InChIKey=XNWJSQBYTPAFSO-UHFFFAOYSA-N64.9Ex 64.91(BP est) -89.98(MP est) ----(BP exp) ----(MP exp) C(C(Br)CF) -90PredN
C(C(Br)(F)C)7086140.983C3H6BrF2-bromo-2-fluoropropaneN115C(C(Br)(F)C)InChI=1S/C3H6BrF/c1-3(2,4)5/h1-2H3InChIKey=BVSXLPIALKKIOU-UHFFFAOYSA-N54.8Ex 54.80(BP est) -84.22(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)C) -84.2PredN
SC(Cl)(C#C)Cl7087141.009C3H2Cl2S1,1-dichloroprop-2-yne-1-thiolN86SC(Cl)(C#C)ClInChI=1S/C3H2Cl2S/c1-2-3(4,5)6/h1,6HInChIKey=FKMMMEIVLOJZQL-UHFFFAOYSA-N142.6Ex 142.57(BP est) -17.16(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C#C)Cl -17.2PredN
SC(Cl)(C#CCl)7088141.009C3H2Cl2S1,3-dichloroprop-2-yne-1-thiolN86SC(Cl)(C#CCl)InChI=1S/C3H2Cl2S/c4-2-1-3(5)6/h3,6HInChIKey=LJCPALQEQHIVOW-UHFFFAOYSA-N169.3Ex 169.29(BP est) 11.50(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C#CCl) 11.5PredN
ClC(Cl)C1=CS17089141.009C3H2Cl2S2-(dichloromethyl)thiireneN86ClC(Cl)C1=CS1InChI=1S/C3H2Cl2S/c4-3(5)2-1-6-2/h1,3HInChIKey=ZEWNYGVKWISKKX-UHFFFAOYSA-N163.0Ex 162.98(BP est) -5.17(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1=CS1 -5.2PredN
ClC(S1)=C1CCl7090141.009C3H2Cl2S2-chloro-3-(chloromethyl)thiireneN86ClC(S1)=C1CClInChI=1S/C3H2Cl2S/c4-1-2-3(5)6-2/h1H2InChIKey=CEQANTBOSCDWAV-UHFFFAOYSA-N172.2Ex 172.15(BP est) 11.27(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1CCl 11.3PredN
CSCBr7091141.026C2H5BrS(bromomethyl)(methyl)sulfaneN94CSCBrInChI=1S/C2H5BrS/c1-4-2-3/h2H2,1H3InChIKey=DQKDNVFQNQRYIS-UHFFFAOYSA-N122.4Ex 122.39(BP est) -54.43(MP est) ----(BP exp) ----(MP exp) CSCBr -54.4PredN
SC(C)Br7092141.026C2H5BrS1-bromoethane-1-thiolN94SC(C)BrInChI=1S/C2H5BrS/c1-2(3)4/h2,4H,1H3InChIKey=RWLYASRNFSCQTM-UHFFFAOYSA-N122.3Ex 122.32(BP est) -60.92(MP est) ----(BP exp) ----(MP exp) SC(C)Br -60.9PredN
SCCBr7093141.026C2H5BrS2-bromoethane-1-thiolN94SCCBrInChI=1S/C2H5BrS/c3-1-2-4/h4H,1-2H2InChIKey=NISIKGZIQILZRC-UHFFFAOYSA-N136.1Ex 136.12(BP est) -49.39(MP est) ----(BP exp) ----(MP exp) SCCBr -49.4PredN
C=C(Cl)Br7096141.392C2H2BrCl1-bromo-1-chloroetheneN64C=C(Cl)BrInChI=1S/C2H2BrCl/c1-2(3)4/h1H2InChIKey=DQIRHMDFDOXWHX-UHFFFAOYSA-N81.3Ex 81.34(BP est) -76.51(MP est) ----(BP exp) ----(MP exp) C=C(Cl)Br -76.5PredN
ClC=CBr7097141.392C2H2BrCl1-bromo-2-chloroetheneN64ClC=CBrInChI=1S/C2H2BrCl/c3-1-2-4/h1-2HInChIKey=LYFQYPSHMWBHFG-UHFFFAOYSA-N84.6Ex 97.35(BP est) -66.52(MP est) 84.60(BP exp) -86.70(MP exp) ClC=CBr -86.7ExptN
CI7099141.939CH3IiodomethaneN52CIInChI=1S/CH3I/c1-2/h1H3InChIKey=INQOMBQAUSQDDS-UHFFFAOYSA-N42.1Ex 64.05(BP est) -95.17(MP est) 42.50(BP exp) -66.40(MP exp) CI -66.4ExptY(Nightingale et al. 1995)
NC(Br)(F)(C)7100141.971C2H5BrFN1-bromo-1-fluoroethan-1-amineN105NC(Br)(F)(C)InChI=1S/C2H5BrFN/c1-2(3,4)5/h5H2,1H3InChIKey=HXDRYJFSXMMZSE-UHFFFAOYSA-N96.0Ex 95.97(BP est) -36.21(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(C) -36.2PredN
CNC(Br)(F)7101141.971C2H5BrFN1-bromo-1-fluoro-N-methylmethanamineN105CNC(Br)(F)InChI=1S/C2H5BrFN/c1-5-2(3)4/h2,5H,1H3InChIKey=SULVATZPQSHSQE-UHFFFAOYSA-N86.6Ex 86.58(BP est) -62.96(MP est) ----(BP exp) ----(MP exp) CNC(Br)(F) -63PredN
NC(Br)(CF)7102141.971C2H5BrFN1-bromo-2-fluoroethan-1-amineN105NC(Br)(CF)InChI=1S/C2H5BrFN/c3-2(5)1-4/h2H,1,5H2InChIKey=VPDOGJYYQTVEOJ-UHFFFAOYSA-N105.5Ex 105.48(BP est) -42.14(MP est) ----(BP exp) ----(MP exp) NC(Br)(CF) -42.1PredN
C(Br)NC(F)7103141.971C2H5BrFN1-bromo-N-(fluoromethyl)methanamineN105C(Br)NC(F)InChI=1S/C2H5BrFN/c3-1-5-2-4/h5H,1-2H2InChIKey=FGFVPYVVAULJOG-UHFFFAOYSA-N101.2Ex 101.20(BP est) -51.19(MP est) ----(BP exp) ----(MP exp) C(Br)NC(F) -51.2PredN
NC(F)(CBr)7104141.971C2H5BrFN2-bromo-1-fluoroethan-1-amineN105NC(F)(CBr)InChI=1S/C2H5BrFN/c3-1-2(4)5/h2H,1,5H2InChIKey=UKIUOQTXHUNBDL-UHFFFAOYSA-N105.5Ex 105.48(BP est) -42.14(MP est) ----(BP exp) ----(MP exp) NC(F)(CBr) -42.1PredN
NC(C(Br)F)7105141.971C2H5BrFN2-bromo-2-fluoroethan-1-amineN105NC(C(Br)F)InChI=1S/C2H5BrFN/c3-2(4)1-5/h2H,1,5H2InChIKey=NMMDSZRTQYYVNM-UHFFFAOYSA-N105.5Ex 105.48(BP est) -42.14(MP est) ----(BP exp) ----(MP exp) NC(C(Br)F) -42.1PredN
S=P(OC)(S)C7107142.171C2H7OPS2O-methyl S-hydrogen methylphosphonodithioateN136S=P(OC)(S)CInChI=1S/C2H7OPS2/c1-3-4(2,5)6/h1-2H3,(H,5,6)InChIKey=RGJVFLINCDNJLQ-UHFFFAOYSA-N176.1Ex 176.08(BP est) -99.69(MP est) ----(BP exp) ----(MP exp) S=P(OC)(S)C -99.7PredN
S=C(S)SS7108142.267CH2S4carbono(dithioperoxo)dithioic acidN75S=C(S)SSInChI=1S/CH2S4/c2-1(3)5-4/h4H,(H,2,3)InChIKey=YLMCXNYRFRRKDI-UHFFFAOYSA-N246.5Ex 246.46(BP est) 22.08(MP est) ----(BP exp) ----(MP exp) S=C(S)SS 22.1PredN
CSCSC(Cl)7110142.659C3H7ClS2(chloromethyl)((methylthio)methyl)sulfaneN136CSCSC(Cl)InChI=1S/C3H7ClS2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=MYMUCCFKCZDEMM-UHFFFAOYSA-N194.0Ex 193.97(BP est) -25.64(MP est) ----(BP exp) ----(MP exp) CSCSC(Cl) -25.6PredN
CSC(Cl)SC7111142.659C3H7ClS2(chloromethylene)bis(methylsulfane)N136CSC(Cl)SCInChI=1S/C3H7ClS2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=WKKZMTOZEONNHV-UHFFFAOYSA-N170.2Ex 170.19(BP est) -40.08(MP est) ----(BP exp) ----(MP exp) CSC(Cl)SC -40.1PredN
CSSC(Cl)(C)7112142.659C3H7ClS21-(1-chloroethyl)-2-methyldisulfaneN136CSSC(Cl)(C)InChI=1S/C3H7ClS2/c1-3(4)6-5-2/h3H,1-2H3InChIKey=BNRUMVQUFUZVQB-UHFFFAOYSA-N170.2Ex 170.19(BP est) -40.08(MP est) ----(BP exp) ----(MP exp) CSSC(Cl)(C) -40.1PredN
CSSC(CCl)7113142.659C3H7ClS21-(2-chloroethyl)-2-methyldisulfaneN136CSSC(CCl)InChI=1S/C3H7ClS2/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=KNVZNGMTMPPNHX-UHFFFAOYSA-N194.0Ex 193.97(BP est) -25.64(MP est) ----(BP exp) ----(MP exp) CSSC(CCl) -25.6PredN
C(Cl)SSC(C)7114142.659C3H7ClS21-(chloromethyl)-2-ethyldisulfaneN136C(Cl)SSC(C)InChI=1S/C3H7ClS2/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=UGVBAFDLDVJHOB-UHFFFAOYSA-N194.0Ex 193.97(BP est) -25.64(MP est) ----(BP exp) ----(MP exp) C(Cl)SSC(C) -25.6PredN
O=PC(Cl)=CCl7118142.903C2HCl2OP(1,2-dichlorovinyl)(oxo)phosphaneN76O=PC(Cl)=CClInChI=1S/C2HCl2OP/c3-1-2(4)6-5/h1HInChIKey=QBTSKVIWIPHLAW-UHFFFAOYSA-N154.9Ex 154.94(BP est) -38.44(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CCl -38.4PredN
O=PC=C(Cl)Cl7119142.903C2HCl2OP(2,2-dichlorovinyl)(oxo)phosphaneN76O=PC=C(Cl)ClInChI=1S/C2HCl2OP/c3-2(4)1-6-5/h1HInChIKey=CHVSJEPHXFKCNQ-UHFFFAOYSA-N154.9Ex 154.94(BP est) -38.44(MP est) ----(BP exp) ----(MP exp) O=PC=C(Cl)Cl -38.4PredN
C(F)=C(Br)(F)7121142.931C2HBrF21-bromo-1,2-difluoroetheneN65C(F)=C(Br)(F)InChI=1S/C2HBrF2/c3-2(5)1-4/h1HInChIKey=YQPBMUIOKYTYDS-UHFFFAOYSA-N19.0Ex 58.19(BP est) -99.30(MP est) 19.00(BP exp) ----(MP exp) C(F)=C(Br)(F) -99.3PredN
C(Br)=C(F)(F)7122142.931C2HBrF22-bromo-1,1-difluoroetheneN65C(Br)=C(F)(F)InChI=1S/C2HBrF2/c3-1-2(4)5/h1HInChIKey=QZGNGBWAMYFUST-UHFFFAOYSA-N58.2Ex 58.19(BP est) -99.30(MP est) ----(BP exp) ----(MP exp) C(Br)=C(F)(F) -99.3PredN
ClC(C=C)(P)Cl7123142.947C3H5Cl2P(1,1-dichloroallyl)phosphaneN116ClC(C=C)(P)ClInChI=1S/C3H5Cl2P/c1-2-3(4,5)6/h2H,1,6H2InChIKey=JKYLBLOTUBJSQJ-UHFFFAOYSA-N111.3Ex 111.34(BP est) -53.18(MP est) ----(BP exp) ----(MP exp) ClC(C=C)(P)Cl -53.2PredN
ClC(P)C(Cl)=C7124142.947C3H5Cl2P(1,2-dichloroallyl)phosphaneN116ClC(P)C(Cl)=CInChI=1S/C3H5Cl2P/c1-2(4)3(5)6/h3H,1,6H2InChIKey=OEOLDGXSQQWOEN-UHFFFAOYSA-N124.9Ex 124.85(BP est) -64.93(MP est) ----(BP exp) ----(MP exp) ClC(P)C(Cl)=C -64.9PredN
ClC1(P)CC1Cl7125142.947C3H5Cl2P(1,2-dichlorocyclopropyl)phosphaneN116ClC1(P)CC1ClInChI=1S/C3H5Cl2P/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=OLJZGFKDPZWMQR-UHFFFAOYSA-N133.8Ex 133.82(BP est) -28.15(MP est) ----(BP exp) ----(MP exp) ClC1(P)CC1Cl -28.2PredN
CPC(Cl)=CCl7126142.947C3H5Cl2P(1,2-dichlorovinyl)(methyl)phosphaneN116CPC(Cl)=CClInChI=1S/C3H5Cl2P/c1-6-3(5)2-4/h2,6H,1H3InChIKey=OIMLHHWCBFADEU-UHFFFAOYSA-N113.0Ex 113.04(BP est) -70.72(MP est) ----(BP exp) ----(MP exp) CPC(Cl)=CCl -70.7PredN
ClC(P)C=CCl7127142.947C3H5Cl2P(1,3-dichloroallyl)phosphaneN116ClC(P)C=CClInChI=1S/C3H5Cl2P/c4-2-1-3(5)6/h1-3H,6H2InChIKey=UBHTVLCTPDIOFX-UHFFFAOYSA-N139.8Ex 139.78(BP est) -55.25(MP est) ----(BP exp) ----(MP exp) ClC(P)C=CCl -55.3PredN
ClC1(Cl)C(P)C17128142.947C3H5Cl2P(2,2-dichlorocyclopropyl)phosphaneN116ClC1(Cl)C(P)C1InChI=1S/C3H5Cl2P/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=HDKKTBSUQNNBDE-UHFFFAOYSA-N121.3Ex 121.32(BP est) -31.80(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C(P)C1 -31.8PredN
CPC=C(Cl)Cl7129142.947C3H5Cl2P(2,2-dichlorovinyl)(methyl)phosphaneN116CPC=C(Cl)ClInChI=1S/C3H5Cl2P/c1-6-2-3(4)5/h2,6H,1H3InChIKey=BACDZMZZPAZSBO-UHFFFAOYSA-N113.0Ex 113.04(BP est) -70.72(MP est) ----(BP exp) ----(MP exp) CPC=C(Cl)Cl -70.7PredN
ClC(CP)=CCl7130142.947C3H5Cl2P(2,3-dichloroallyl)phosphaneN116ClC(CP)=CClInChI=1S/C3H5Cl2P/c4-1-3(5)2-6/h1H,2,6H2InChIKey=GUWYXBFZFAWXTD-UHFFFAOYSA-N132.9Ex 132.93(BP est) -56.73(MP est) ----(BP exp) ----(MP exp) ClC(CP)=CCl -56.7PredN
ClC(Cl)=CCP7131142.947C3H5Cl2P(3,3-dichloroallyl)phosphaneN116ClC(Cl)=CCPInChI=1S/C3H5Cl2P/c4-3(5)1-2-6/h1H,2,6H2InChIKey=JJTMXFZGVVRMLU-UHFFFAOYSA-N132.9Ex 132.93(BP est) -56.73(MP est) ----(BP exp) ----(MP exp) ClC(Cl)=CCP -56.7PredN
ClCPC(Cl)=C7132142.947C3H5Cl2P(chloromethyl)(1-chlorovinyl)phosphaneN116ClCPC(Cl)=CInChI=1S/C3H5Cl2P/c1-3(5)6-2-4/h6H,1-2H2InChIKey=PBAPMLSXLNXGOY-UHFFFAOYSA-N131.5Ex 131.49(BP est) -63.68(MP est) ----(BP exp) ----(MP exp) ClCPC(Cl)=C -63.7PredN
ClCPC=CCl7133142.947C3H5Cl2P(chloromethyl)(2-chlorovinyl)phosphaneN116ClCPC=CClInChI=1S/C3H5Cl2P/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=NBNSVSZUSCGOHS-UHFFFAOYSA-N146.3Ex 146.25(BP est) -54.05(MP est) ----(BP exp) ----(MP exp) ClCPC=CCl -54.1PredN
ClC(PC=C)Cl7134142.947C3H5Cl2P(dichloromethyl)(vinyl)phosphaneN116ClC(PC=C)ClInChI=1S/C3H5Cl2P/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=RQHBDVZAPKNRNA-UHFFFAOYSA-N125.9Ex 125.92(BP est) -65.82(MP est) ----(BP exp) ----(MP exp) ClC(PC=C)Cl -65.8PredN
ClC(P1CC1)Cl7135142.947C3H5Cl2P1-(dichloromethyl)phosphiraneN116ClC(P1CC1)ClInChI=1S/C3H5Cl2P/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=QWNDXVPFANQHDZ-UHFFFAOYSA-N136.9Ex 136.94(BP est) -49.56(MP est) ----(BP exp) ----(MP exp) ClC(P1CC1)Cl -49.6PredN
CP1C(Cl)(Cl)C17136142.947C3H5Cl2P2,2-dichloro-1-methylphosphiraneN116CP1C(Cl)(Cl)C1InChI=1S/C3H5Cl2P/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=QBTPZHRMKZPYAL-UHFFFAOYSA-N106.7Ex 106.74(BP est) -41.05(MP est) ----(BP exp) ----(MP exp) CP1C(Cl)(Cl)C1 -41.1PredN
ClC1(Cl)CCP17137142.947C3H5Cl2P2,2-dichlorophosphetaneN116ClC1(Cl)CCP1InChI=1S/C3H5Cl2P/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=GXBJZBQUAUXTAY-UHFFFAOYSA-N108.0Ex 107.96(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CCP1 -41.8PredN
CP1C(Cl)C1Cl7138142.947C3H5Cl2P2,3-dichloro-1-methylphosphiraneN116CP1C(Cl)C1ClInChI=1S/C3H5Cl2P/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=QKQSSIIGIWCQAL-UHFFFAOYSA-N137.5Ex 137.47(BP est) -46.15(MP est) ----(BP exp) ----(MP exp) CP1C(Cl)C1Cl -46.2PredN
ClC1C(Cl)CP17139142.947C3H5Cl2P2,3-dichlorophosphetaneN116ClC1C(Cl)CP1InChI=1S/C3H5Cl2P/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=JSDBXLCZQTWGGJ-UHFFFAOYSA-N138.6Ex 138.63(BP est) -46.88(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)CP1 -46.9PredN
ClC1CC(Cl)P17140142.947C3H5Cl2P2,4-dichlorophosphetaneN116ClC1CC(Cl)P1InChI=1S/C3H5Cl2P/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=QUGXIFDWGFYBSP-UHFFFAOYSA-N138.6Ex 138.63(BP est) -46.88(MP est) ----(BP exp) ----(MP exp) ClC1CC(Cl)P1 -46.9PredN
ClCP1C(Cl)C17141142.947C3H5Cl2P2-chloro-1-(chloromethyl)phosphiraneN116ClCP1C(Cl)C1InChI=1S/C3H5Cl2P/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=AUPDVYRYONLBHP-UHFFFAOYSA-N156.0Ex 156.01(BP est) -38.61(MP est) ----(BP exp) ----(MP exp) ClCP1C(Cl)C1 -38.6PredN
ClC1(Cl)CPC17142142.947C3H5Cl2P3,3-dichlorophosphetaneN116ClC1(Cl)CPC1InChI=1S/C3H5Cl2P/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=OXIHAGQGVBQLCW-UHFFFAOYSA-N108.0Ex 107.96(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CPC1 -41.8PredN
OC(Br)(F)(C)7143142.955C2H4BrFO1-bromo-1-fluoroethan-1-olN95OC(Br)(F)(C)InChI=1S/C2H4BrFO/c1-2(3,4)5/h5H,1H3InChIKey=DBELSVRUFIXTEX-UHFFFAOYSA-N103.3Ex 103.25(BP est) -45.30(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(C) -45.3PredN
OC(Br)(CF)7144142.955C2H4BrFO1-bromo-2-fluoroethan-1-olN95OC(Br)(CF)InChI=1S/C2H4BrFO/c3-2(5)1-4/h2,5H,1H2InChIKey=SAMFITDNQCAKFS-UHFFFAOYSA-N123.6Ex 123.55(BP est) -48.08(MP est) ----(BP exp) ----(MP exp) OC(Br)(CF) -48.1PredN
OC(F)(CBr)7145142.955C2H4BrFO2-bromo-1-fluoroethan-1-olN95OC(F)(CBr)InChI=1S/C2H4BrFO/c3-1-2(4)5/h2,5H,1H2InChIKey=CKPOMYFTUNZBML-UHFFFAOYSA-N123.6Ex 123.55(BP est) -48.08(MP est) ----(BP exp) ----(MP exp) OC(F)(CBr) -48.1PredN
OC(C(Br)F)7146142.955C2H4BrFO2-bromo-2-fluoroethan-1-olN95OC(C(Br)F)InChI=1S/C2H4BrFO/c3-2(4)1-5/h2,5H,1H2InChIKey=REPWURJRNXIURN-UHFFFAOYSA-N131.0Ex 130.98(BP est) -45.92(MP est) ----(BP exp) ----(MP exp) OC(C(Br)F) -45.9PredN
C(Br)OC(F)7147142.955C2H4BrFObromo(fluoromethoxy)methaneN95C(Br)OC(F)InChI=1S/C2H4BrFO/c3-1-5-2-4/h1-2H2InChIKey=QXNQKTPUVXAJPK-UHFFFAOYSA-N81.0Ex 80.96(BP est) -72.31(MP est) ----(BP exp) ----(MP exp) C(Br)OC(F) -72.3PredN
COC(Br)(F)7148142.955C2H4BrFObromofluoro(methoxy)methaneN95COC(Br)(F)InChI=1S/C2H4BrFO/c1-5-2(3)4/h2H,1H3InChIKey=ZXVLJSLTQUNXQE-UHFFFAOYSA-N65.9Ex 65.89(BP est) -84.21(MP est) ----(BP exp) ----(MP exp) COC(Br)(F) -84.2PredN
NNC(Br)(F)7149142.959CH4BrFN2(bromofluoromethyl)hydrazineN95NNC(Br)(F)InChI=1S/CH4BrFN2/c2-1(3)5-4/h1,5H,4H2InChIKey=VNGDPEVPEOKMAC-UHFFFAOYSA-N125.9Ex 125.85(BP est) -15.50(MP est) ----(BP exp) ----(MP exp) NNC(Br)(F) -15.5PredN
BrC#CC1=CC17150142.983C5H3Br1-(bromoethynyl)cycloprop-1-eneN96BrC#CC1=CC1InChI=1S/C5H3Br/c6-4-3-5-1-2-5/h1H,2H2InChIKey=BOYLVGDFVRGZNQ-UHFFFAOYSA-N153.1Ex 153.13(BP est) 25.03(MP est) ----(BP exp) ----(MP exp) BrC#CC1=CC1 25PredN
BrC(C1)=C1C#C7151142.983C5H3Br1-bromo-2-ethynylcycloprop-1-eneN96BrC(C1)=C1C#CInChI=1S/C5H3Br/c1-2-4-3-5(4)6/h1H,3H2InChIKey=NKXCDUCSRQHGKF-UHFFFAOYSA-N143.0Ex 142.97(BP est) -1.24(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1C#C -1.2PredN
BrC1=CC1C#C7152142.983C5H3Br1-bromo-3-ethynylcycloprop-1-eneN96BrC1=CC1C#CInChI=1S/C5H3Br/c1-2-4-3-5(4)6/h1,3-4HInChIKey=SIDHPQKSEOUJTO-UHFFFAOYSA-N138.4Ex 138.39(BP est) -10.96(MP est) ----(BP exp) ----(MP exp) BrC1=CC1C#C -11PredN
CC#CC#CBr7153142.983C5H3Br1-bromopenta-1,3-diyneN96CC#CC#CBrInChI=1S/C5H3Br/c1-2-3-4-5-6/h1H3InChIKey=YBWNEWXRSMOCQW-UHFFFAOYSA-N157.9Ex 157.91(BP est) 20.14(MP est) ----(BP exp) ----(MP exp) CC#CC#CBr 20.1PredN
C#CCC#CBr7154142.983C5H3Br1-bromopenta-1,4-diyneN96C#CCC#CBrInChI=1S/C5H3Br/c1-2-3-4-5-6/h1H,3H2InChIKey=MLOBHVSLXGZJTQ-UHFFFAOYSA-N149.7Ex 149.73(BP est) 29.79(MP est) ----(BP exp) ----(MP exp) C#CCC#CBr 29.8PredN
BrC#CC1C=C17155142.983C5H3Br3-(bromoethynyl)cycloprop-1-eneN96BrC#CC1C=C1InChI=1S/C5H3Br/c6-4-3-5-1-2-5/h1-2,5HInChIKey=GMEKCLCCKMQUHU-UHFFFAOYSA-N148.6Ex 148.64(BP est) 15.34(MP est) ----(BP exp) ----(MP exp) BrC#CC1C=C1 15.3PredN
C#CC1=CC1Br7156142.983C5H3Br3-bromo-1-ethynylcycloprop-1-eneN96C#CC1=CC1BrInChI=1S/C5H3Br/c1-2-4-3-5(4)6/h1,3,5HInChIKey=LKOABPUGAAMXNP-UHFFFAOYSA-N138.4Ex 138.39(BP est) -10.96(MP est) ----(BP exp) ----(MP exp) C#CC1=CC1Br -11PredN
BrC1(C#C)C=C17157142.983C5H3Br3-bromo-3-ethynylcycloprop-1-eneN96BrC1(C#C)C=C1InChI=1S/C5H3Br/c1-2-5(6)3-4-5/h1,3-4HInChIKey=KNCDFIVECMJVJU-UHFFFAOYSA-N128.3Ex 128.34(BP est) -8.20(MP est) ----(BP exp) ----(MP exp) BrC1(C#C)C=C1 -8.2PredN
BrC(C#C)C#C7158142.983C5H3Br3-bromopenta-1,4-diyneN96BrC(C#C)C#CInChI=1S/C5H3Br/c1-3-5(6)4-2/h1-2,5HInChIKey=OUKSAKMLGDIIEJ-UHFFFAOYSA-N127.8Ex 127.76(BP est) -13.69(MP est) ----(BP exp) ----(MP exp) BrC(C#C)C#C -13.7PredN
BrCC#CC#C7159142.983C5H3Br5-bromopenta-1,3-diyneN96BrCC#CC#CInChI=1S/C5H3Br/c1-2-3-4-5-6/h1H,5H2InChIKey=LVXFLRSPBVBFDQ-UHFFFAOYSA-N149.7Ex 149.73(BP est) 29.79(MP est) ----(BP exp) ----(MP exp) BrCC#CC#C 29.8PredN
CSC(Cl)=CCl7161143.025C3H4Cl2S(1,2-dichlorovinyl)(methyl)sulfaneN106CSC(Cl)=CClInChI=1S/C3H4Cl2S/c1-6-3(5)2-4/h2H,1H3InChIKey=BVKOVWDAJMWBTI-UHFFFAOYSA-N140.5Ex 140.46(BP est) -53.02(MP est) ----(BP exp) ----(MP exp) CSC(Cl)=CCl -53PredN
CSC=C(Cl)Cl7162143.025C3H4Cl2S(2,2-dichlorovinyl)(methyl)sulfaneN106CSC=C(Cl)ClInChI=1S/C3H4Cl2S/c1-6-2-3(4)5/h2H,1H3InChIKey=IOBVJCXAIHQZIR-UHFFFAOYSA-N140.5Ex 140.46(BP est) -53.02(MP est) ----(BP exp) ----(MP exp) CSC=C(Cl)Cl -53PredN
ClCSC(Cl)=C7163143.025C3H4Cl2S(chloromethyl)(1-chlorovinyl)sulfaneN106ClCSC(Cl)=CInChI=1S/C3H4Cl2S/c1-3(5)6-2-4/h1-2H2InChIKey=XJTXZQIHCHPNJT-UHFFFAOYSA-N158.1Ex 158.05(BP est) -46.22(MP est) ----(BP exp) ----(MP exp) ClCSC(Cl)=C -46.2PredN
C(Cl)SC=C(Cl)7164143.025C3H4Cl2S(chloromethyl)(2-chlorovinyl)sulfaneN106C(Cl)SC=C(Cl)InChI=1S/C3H4Cl2S/c4-1-2-6-3-5/h1-2H,3H2InChIKey=DVGLJVYGZYOWAN-UHFFFAOYSA-N172.1Ex 172.10(BP est) -36.80(MP est) ----(BP exp) ----(MP exp) C(Cl)SC=C(Cl) -36.8PredN
ClC(SC=C)Cl7165143.025C3H4Cl2S(dichloromethyl)(vinyl)sulfaneN106ClC(SC=C)ClInChI=1S/C3H4Cl2S/c1-2-6-3(4)5/h2-3H,1H2InChIKey=HQVDRZBOJRGJQC-UHFFFAOYSA-N152.7Ex 152.74(BP est) -48.29(MP est) ----(BP exp) ----(MP exp) ClC(SC=C)Cl -48.3PredN
SC(Cl)(C=C)Cl7166143.025C3H4Cl2S1,1-dichloroprop-2-ene-1-thiolN106SC(Cl)(C=C)ClInChI=1S/C3H4Cl2S/c1-2-3(4,5)6/h2,6H,1H2InChIKey=SCKQZVZWMLAKNO-UHFFFAOYSA-N133.0Ex 132.97(BP est) -44.33(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C=C)Cl -44.3PredN
SC1(CC1Cl)Cl7167143.025C3H4Cl2S1,2-dichlorocyclopropane-1-thiolN106SC1(CC1Cl)ClInChI=1S/C3H4Cl2S/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=ZDECNIFLTMLQTE-UHFFFAOYSA-N154.6Ex 154.63(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) SC1(CC1Cl)Cl -19.5PredN
SC(C(Cl)=C)Cl7168143.025C3H4Cl2S1,2-dichloroprop-2-ene-1-thiolN106SC(C(Cl)=C)ClInChI=1S/C3H4Cl2S/c1-2(4)3(5)6/h3,6H,1H2InChIKey=FPOSPHAVQCLLOY-UHFFFAOYSA-N146.0Ex 145.98(BP est) -56.22(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)=C)Cl -56.2PredN
SC(Cl)(C=CCl)7169143.025C3H4Cl2S1,3-dichloroprop-2-ene-1-thiolN106SC(Cl)(C=CCl)InChI=1S/C3H4Cl2S/c4-2-1-3(5)6/h1-3,6HInChIKey=FZNTWWLMSNOIQL-UHFFFAOYSA-N160.4Ex 160.36(BP est) -46.70(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C=CCl) -46.7PredN
ClC(Cl)C1CS17170143.025C3H4Cl2S2-(dichloromethyl)thiiraneN106ClC(Cl)C1CS1InChI=1S/C3H4Cl2S/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=IJUWTTDETMNHNM-UHFFFAOYSA-N155.7Ex 155.72(BP est) -16.05(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1CS1 -16.1PredN
ClC1(Cl)C(C)S17171143.025C3H4Cl2S2,2-dichloro-3-methylthiiraneN106ClC1(Cl)C(C)S1InChI=1S/C3H4Cl2S/c1-2-3(4,5)6-2/h2H,1H3InChIKey=SMBNVOPTOLHBJE-UHFFFAOYSA-N126.5Ex 126.50(BP est) -7.25(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C(C)S1 -7.3PredN
SC1CC1(Cl)Cl7172143.025C3H4Cl2S2,2-dichlorocyclopropane-1-thiolN106SC1CC1(Cl)ClInChI=1S/C3H4Cl2S/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=QEMRSHVMHPBWLC-UHFFFAOYSA-N142.6Ex 142.59(BP est) -23.05(MP est) ----(BP exp) ----(MP exp) SC1CC1(Cl)Cl -23.1PredN
ClC1(Cl)SCC17173143.025C3H4Cl2S2,2-dichlorothietaneN106ClC1(Cl)SCC1InChI=1S/C3H4Cl2S/c4-3(5)1-2-6-3/h1-2H2InChIKey=XEHBUUKLWZBXPH-UHFFFAOYSA-N135.2Ex 135.22(BP est) -4.34(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)SCC1 -4.3PredN
ClC1C(Cl)(C)S17174143.025C3H4Cl2S2,3-dichloro-2-methylthiiraneN106ClC1C(Cl)(C)S1InChI=1S/C3H4Cl2S/c1-3(5)2(4)6-3/h2H,1H3InChIKey=DAOVIYQTNOCMIN-UHFFFAOYSA-N138.9Ex 138.89(BP est) -3.63(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(C)S1 -3.6PredN
SC(C1Cl)(C1Cl)7175143.025C3H4Cl2S2,3-dichlorocyclopropane-1-thiolN106SC(C1Cl)(C1Cl)InChI=1S/C3H4Cl2S/c4-1-2(5)3(1)6/h1-3,6HInChIKey=CVLXVUVUAWVKOP-UHFFFAOYSA-N171.5Ex 171.45(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) SC(C1Cl)(C1Cl) -28.7PredN
SCC(Cl)=CCl7176143.025C3H4Cl2S2,3-dichloroprop-2-ene-1-thiolN106SCC(Cl)=CClInChI=1S/C3H4Cl2S/c4-1-3(5)2-6/h1,6H,2H2InChIKey=MNESDHSRLZIGDP-UHFFFAOYSA-N153.8Ex 153.77(BP est) -48.10(MP est) ----(BP exp) ----(MP exp) SCC(Cl)=CCl -48.1PredN
ClC1SCC1Cl7177143.025C3H4Cl2S2,3-dichlorothietaneN106ClC1SCC1ClInChI=1S/C3H4Cl2S/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=MDHJPNIHPBEKQO-UHFFFAOYSA-N164.5Ex 164.48(BP est) -9.87(MP est) ----(BP exp) ----(MP exp) ClC1SCC1Cl -9.9PredN
ClC1CC(Cl)S17178143.025C3H4Cl2S2,4-dichlorothietaneN106ClC1CC(Cl)S1InChI=1S/C3H4Cl2S/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=CTZFECKSZGTHOG-UHFFFAOYSA-N164.5Ex 164.48(BP est) -9.87(MP est) ----(BP exp) ----(MP exp) ClC1CC(Cl)S1 -9.9PredN
ClC1(CCl)CS17179143.025C3H4Cl2S2-chloro-2-(chloromethyl)thiiraneN106ClC1(CCl)CS1InChI=1S/C3H4Cl2S/c4-1-3(5)2-6-3/h1-2H2InChIKey=CBSXWVYEJBBRKP-UHFFFAOYSA-N157.4Ex 157.39(BP est) 3.89(MP est) ----(BP exp) ----(MP exp) ClC1(CCl)CS1 3.9PredN
ClC1C(CCl)S17180143.025C3H4Cl2S2-chloro-3-(chloromethyl)thiiraneN106ClC1C(CCl)S1InChI=1S/C3H4Cl2S/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=LFSBOBZBADVKAV-UHFFFAOYSA-N174.1Ex 174.13(BP est) -5.29(MP est) ----(BP exp) ----(MP exp) ClC1C(CCl)S1 -5.3PredN
SCC=C(Cl)Cl7181143.025C3H4Cl2S3,3-dichloroprop-2-ene-1-thiolN106SCC=C(Cl)ClInChI=1S/C3H4Cl2S/c4-3(5)1-2-6/h1,6H,2H2InChIKey=FUXUTJCTJCFGHG-UHFFFAOYSA-N153.8Ex 153.77(BP est) -48.10(MP est) ----(BP exp) ----(MP exp) SCC=C(Cl)Cl -48.1PredN
ClC1(Cl)CSC17182143.025C3H4Cl2S3,3-dichlorothietaneN106ClC1(Cl)CSC1InChI=1S/C3H4Cl2S/c4-3(5)1-6-2-3/h1-2H2InChIKey=YWXHVXCIYMPMDT-UHFFFAOYSA-N135.2Ex 135.22(BP est) -4.34(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CSC1 -4.3PredN
ClC(C1Cl)=C1Cl7183143.391C3HCl31,2,3-trichlorocycloprop-1-eneN76ClC(C1Cl)=C1ClInChI=1S/C3HCl3/c4-1-2(5)3(1)6/h1HInChIKey=VVRAXHKIFQWLET-UHFFFAOYSA-N125.9Ex 125.92(BP est) -28.11(MP est) ----(BP exp) ----(MP exp) ClC(C1Cl)=C1Cl -28.1PredN
ClC1=CC1(Cl)Cl7184143.391C3HCl31,3,3-trichlorocycloprop-1-eneN76ClC1=CC1(Cl)ClInChI=1S/C3HCl3/c4-2-1-3(2,5)6/h1HInChIKey=LEGNKRVYQMRAEF-UHFFFAOYSA-N104.9Ex 104.90(BP est) -28.56(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(Cl)Cl -28.6PredN
ClC(C#CCl)Cl7185143.391C3HCl31,3,3-trichloroprop-1-yneN76ClC(C#CCl)ClInChI=1S/C3HCl3/c4-2-1-3(5)6/h3HInChIKey=IBDIZWFZFAFXSG-UHFFFAOYSA-N140.1Ex 140.14(BP est) -0.28(MP est) ----(BP exp) ----(MP exp) ClC(C#CCl)Cl -0.3PredN
ClC(Cl)(C#C)Cl7186143.391C3HCl33,3,3-trichloroprop-1-yneN76ClC(Cl)(C#C)ClInChI=1S/C3HCl3/c1-2-3(4,5)6/h1HInChIKey=RDODYSIMUILJTM-UHFFFAOYSA-N99.0Ex 98.97(BP est) -33.16(MP est) ----(BP exp) ----(MP exp) ClC(Cl)(C#C)Cl -33.2PredN
CC(Cl)Br7187143.408C2H4BrCl1-bromo-1-chloroethaneN84CC(Cl)BrInChI=1S/C2H4BrCl/c1-2(3)4/h2H,1H3InChIKey=QMSVNDSDEZTYAS-UHFFFAOYSA-N79.9Ex 90.61(BP est) -73.45(MP est) 83.00(BP exp) ----(MP exp) CC(Cl)Br -73.5PredN
ClCCBr7188143.408C2H4BrCl1-bromo-2-chloroethaneN84ClCCBrInChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2InChIKey=IBYHHJPAARCAIE-UHFFFAOYSA-N106.3Ex 118.02(BP est) -57.95(MP est) 107.00(BP exp) -16.70(MP exp) ClCCBr -16.7ExptY(Ballschmiter 2003)
NOC(F)Br7191143.943CH3BrFNOO-(bromofluoromethyl)hydroxylamineN85NOC(F)BrInChI=1S/CH3BrFNO/c2-1(3)5-4/h1H,4H2InChIKey=HMGWIGDICOFVLQ-UHFFFAOYSA-N106.4Ex 106.40(BP est) -36.39(MP est) ----(BP exp) ----(MP exp) NOC(F)Br -36.4PredN
BrC#CC1=CN17193143.971C4H2BrN2-(bromoethynyl)-1H-azirineN86BrC#CC1=CN1InChI=1S/C4H2BrN/c5-2-1-4-3-6-4/h3,6HInChIKey=LKZZZKNLYJVRDU-UHFFFAOYSA-N187.3Ex 187.33(BP est) 38.81(MP est) ----(BP exp) ----(MP exp) BrC#CC1=CN1 38.8PredN
BrC(N1)=C1C#C7194143.971C4H2BrN2-bromo-3-ethynyl-1H-azirineN86BrC(N1)=C1C#CInChI=1S/C4H2BrN/c1-2-3-4(5)6-3/h1,6HInChIKey=CTNGDLSASBSXEO-UHFFFAOYSA-N177.8Ex 177.84(BP est) 23.00(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1C#C 23PredN
CSSSC(F)7196144.24C2H5FS31-(fluoromethyl)-3-methyltrisulfaneN116CSSSC(F)InChI=1S/C2H5FS3/c1-4-6-5-2-3/h2H2,1H3InChIKey=GQSCEHFDHSYAMV-UHFFFAOYSA-N179.3Ex 179.33(BP est) -33.01(MP est) ----(BP exp) ----(MP exp) CSSSC(F) -33PredN
N#CC(Cl)(Cl)Cl7197144.379C2Cl3N2,2,2-trichloroacetonitrileN66N#CC(Cl)(Cl)ClInChI=1S/C2Cl3N/c3-2(4,5)1-6InChIKey=DRUIESSIVFYOMK-UHFFFAOYSA-N85.8Ex 159.82(BP est) -12.02(MP est) 85.70(BP exp) -42.00(MP exp) N#CC(Cl)(Cl)Cl -42ExptY(Ballschmiter 2003)
NC(Cl)Br7198144.396CH3BrClNbromochloromethanamineN74NC(Cl)BrInChI=1S/CH3BrClN/c2-1(3)4/h1H,4H2InChIKey=URPHXJGQIRMAMM-UHFFFAOYSA-N129.6Ex 129.64(BP est) -26.06(MP est) ----(BP exp) ----(MP exp) NC(Cl)Br -26.1PredN
B1=NNC=C1Br7203144.766C2H2BBrN24-bromo-1H-1,2,3-diazaboroleN86B1=NNC=C1BrInChI=1S/C2H2BBrN2/c4-2-1-5-6-3-2/h1,5HInChIKey=ULRFIKLTXBZPFF-UHFFFAOYSA-N225.8Ex 225.80(BP est) 41.85(MP est) ----(BP exp) ----(MP exp) B1=NNC=C1Br 41.9PredN
PC(Br)F7207144.911CH3BrFP(bromofluoromethyl)phosphaneN74PC(Br)FInChI=1S/CH3BrFP/c2-1(3)4/h1H,4H2InChIKey=SSYJAKLDLHSPIL-UHFFFAOYSA-N78.3Ex 78.27(BP est) -81.66(MP est) ----(BP exp) ----(MP exp) PC(Br)F -81.7PredN
O=PC(C)(Cl)Cl7208144.919C2H3Cl2OP(1,1-dichloroethyl)(oxo)phosphaneN96O=PC(C)(Cl)ClInChI=1S/C2H3Cl2OP/c1-2(3,4)6-5/h1H3InChIKey=LQZUPUHJBCRYHT-UHFFFAOYSA-N135.9Ex 135.88(BP est) -33.28(MP est) ----(BP exp) ----(MP exp) O=PC(C)(Cl)Cl -33.3PredN
O=PC(Cl)CCl7209144.919C2H3Cl2OP(1,2-dichloroethyl)(oxo)phosphaneN96O=PC(Cl)CClInChI=1S/C2H3Cl2OP/c3-1-2(4)6-5/h2H,1H2InChIKey=VLNQOTSXUGDALO-UHFFFAOYSA-N180.0Ex 179.98(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CCl -29.1PredN
O=PCC(Cl)Cl7211144.919C2H3Cl2OP(2,2-dichloroethyl)(oxo)phosphaneN96O=PCC(Cl)ClInChI=1S/C2H3Cl2OP/c3-2(4)1-6-5/h2H,1H2InChIKey=ZDYDKGDCTDWACK-UHFFFAOYSA-N168.5Ex 168.49(BP est) -32.46(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)Cl -32.5PredN
O=P1C(Cl)(Cl)C17214144.919C2H3Cl2OP2,2-dichlorophosphirane 1-oxideN96O=P1C(Cl)(Cl)C1InChI=1S/C2H3Cl2OP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=JLWJIVNWZHHDAJ-UHFFFAOYSA-N146.1Ex 146.14(BP est) -17.00(MP est) ----(BP exp) ----(MP exp) O=P1C(Cl)(Cl)C1 -17PredN
O=P1C(Cl)C1Cl7216144.919C2H3Cl2OP2,3-dichlorophosphirane 1-oxideN96O=P1C(Cl)C1ClInChI=1S/C2H3Cl2OP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=BSEVFHGTCANILZ-UHFFFAOYSA-N174.8Ex 174.82(BP est) -22.69(MP est) ----(BP exp) ----(MP exp) O=P1C(Cl)C1Cl -22.7PredN
C(C(Br)(F)F)7217144.947C2H3BrF21-bromo-1,1-difluoroethaneN85C(C(Br)(F)F)InChI=1S/C2H3BrF2/c1-2(3,4)5/h1H3InChIKey=MGCGGCMKJWCMKL-UHFFFAOYSA-N31.3Ex 31.28(BP est) -96.43(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)F) -96.4PredN
C(F)(C(Br)F)7218144.947C2H3BrF21-bromo-1,2-difluoroethaneN85C(F)(C(Br)F)InChI=1S/C2H3BrF2/c3-2(5)1-4/h2H,1H2InChIKey=IXJVTPQKDTWLNP-UHFFFAOYSA-N41.7Ex 41.71(BP est) -102.10(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)F) -102.1PredN
C(Br)(C(F)F)7219144.947C2H3BrF22-bromo-1,1-difluoroethaneN85C(Br)(C(F)F)InChI=1S/C2H3BrF2/c3-1-2(4)5/h2H,1H2InChIKey=JVYROUWXXSWCMI-UHFFFAOYSA-N57.3Ex 41.71(BP est) -102.10(MP est) 57.30(BP exp) -75.00(MP exp) C(Br)(C(F)F) -75ExptN
BrC#CC1=CO17220144.955C4HBrO2-(bromoethynyl)oxireneN76BrC#CC1=CO1InChI=1S/C4HBrO/c5-2-1-4-3-6-4/h3HInChIKey=ZIFQOTIUNVZKNF-UHFFFAOYSA-N159.0Ex 159.02(BP est) 6.80(MP est) ----(BP exp) ----(MP exp) BrC#CC1=CO1 6.8PredN
BrC(O1)=C1C#C7221144.955C4HBrO2-bromo-3-ethynyloxireneN76BrC(O1)=C1C#CInChI=1S/C4HBrO/c1-2-3-4(5)6-3/h1HInChIKey=GVJXWTZMZBDCLE-UHFFFAOYSA-N149.0Ex 148.97(BP est) 8.16(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1C#C 8.2PredN
CPC(Cl)(C)Cl7222144.963C3H7Cl2P(1,1-dichloroethyl)(methyl)phosphaneN136CPC(Cl)(C)ClInChI=1S/C3H7Cl2P/c1-3(4,5)6-2/h6H,1-2H3InChIKey=OYXBPBMOXMLHAP-UHFFFAOYSA-N92.6Ex 92.55(BP est) -65.97(MP est) ----(BP exp) ----(MP exp) CPC(Cl)(C)Cl -66PredN
CC(P)C(Cl)Cl7223144.963C3H7Cl2P(1,1-dichloropropan-2-yl)phosphaneN136CC(P)C(Cl)ClInChI=1S/C3H7Cl2P/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=SMGBGQPIAFMWPO-UHFFFAOYSA-N133.5Ex 133.50(BP est) -62.05(MP est) ----(BP exp) ----(MP exp) CC(P)C(Cl)Cl -62.1PredN
ClC(CC)(P)Cl7224144.963C3H7Cl2P(1,1-dichloropropyl)phosphaneN136ClC(CC)(P)ClInChI=1S/C3H7Cl2P/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=USSDLAOAWRBPMI-UHFFFAOYSA-N113.1Ex 113.10(BP est) -51.79(MP est) ----(BP exp) ----(MP exp) ClC(CC)(P)Cl -51.8PredN
CPC(CCl)Cl7225144.963C3H7Cl2P(1,2-dichloroethyl)(methyl)phosphaneN136CPC(CCl)ClInChI=1S/C3H7Cl2P/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=ZRIFAZKVHMILEB-UHFFFAOYSA-N140.0Ex 140.04(BP est) -60.82(MP est) ----(BP exp) ----(MP exp) CPC(CCl)Cl -60.8PredN
ClC(CCl)(P)C7226144.963C3H7Cl2P(1,2-dichloropropan-2-yl)phosphaneN136ClC(CCl)(P)CInChI=1S/C3H7Cl2P/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=HYEQLAVQWXVDHV-UHFFFAOYSA-N138.2Ex 138.21(BP est) -44.46(MP est) ----(BP exp) ----(MP exp) ClC(CCl)(P)C -44.5PredN
ClC(P)C(C)Cl7227144.963C3H7Cl2P(1,2-dichloropropyl)phosphaneN136ClC(P)C(C)ClInChI=1S/C3H7Cl2P/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=IMJKIEGRHQMQLK-UHFFFAOYSA-N133.5Ex 133.50(BP est) -62.05(MP est) ----(BP exp) ----(MP exp) ClC(P)C(C)Cl -62.1PredN
ClC(P)CCCl7228144.963C3H7Cl2P(1,3-dichloropropyl)phosphaneN136ClC(P)CCClInChI=1S/C3H7Cl2P/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=RYGXVJNERWOHGA-UHFFFAOYSA-N159.0Ex 159.01(BP est) -47.10(MP est) ----(BP exp) ----(MP exp) ClC(P)CCCl -47.1PredN
ClCPC(C)Cl7229144.963C3H7Cl2P(1-chloroethyl)(chloromethyl)phosphaneN136ClCPC(C)ClInChI=1S/C3H7Cl2P/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=KAOYXZSKFZAUTB-UHFFFAOYSA-N140.0Ex 140.04(BP est) -60.82(MP est) ----(BP exp) ----(MP exp) ClCPC(C)Cl -60.8PredN
CPCC(Cl)Cl7230144.963C3H7Cl2P(2,2-dichloroethyl)(methyl)phosphaneN136CPCC(Cl)ClInChI=1S/C3H7Cl2P/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=BGNGAFBCISFHEC-UHFFFAOYSA-N127.6Ex 127.64(BP est) -64.44(MP est) ----(BP exp) ----(MP exp) CPCC(Cl)Cl -64.4PredN
ClC(Cl)(C)CP7231144.963C3H7Cl2P(2,2-dichloropropyl)phosphaneN136ClC(Cl)(C)CPInChI=1S/C3H7Cl2P/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=ISVSVSGEYPULOO-UHFFFAOYSA-N113.1Ex 113.10(BP est) -51.79(MP est) ----(BP exp) ----(MP exp) ClC(Cl)(C)CP -51.8PredN
ClC(CCl)CP7232144.963C3H7Cl2P(2,3-dichloropropyl)phosphaneN136ClC(CCl)CPInChI=1S/C3H7Cl2P/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=ZLWZUBAJWZTRRE-UHFFFAOYSA-N159.0Ex 159.01(BP est) -47.10(MP est) ----(BP exp) ----(MP exp) ClC(CCl)CP -47.1PredN
ClCPCCCl7233144.963C3H7Cl2P(2-chloroethyl)(chloromethyl)phosphaneN136ClCPCCClInChI=1S/C3H7Cl2P/c4-1-2-6-3-5/h6H,1-3H2InChIKey=JUGQLJNLPOVCGW-UHFFFAOYSA-N165.3Ex 165.25(BP est) -45.96(MP est) ----(BP exp) ----(MP exp) ClCPCCCl -46PredN
ClC(Cl)CCP7234144.963C3H7Cl2P(3,3-dichloropropyl)phosphaneN136ClC(Cl)CCPInChI=1S/C3H7Cl2P/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=UFLJRPHRNCPNBH-UHFFFAOYSA-N147.0Ex 147.04(BP est) -50.59(MP est) ----(BP exp) ----(MP exp) ClC(Cl)CCP -50.6PredN
ClC(PCC)Cl7235144.963C3H7Cl2P(dichloromethyl)(ethyl)phosphaneN136ClC(PCC)ClInChI=1S/C3H7Cl2P/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=WWDNFOSPCSNRPV-UHFFFAOYSA-N127.6Ex 127.64(BP est) -64.44(MP est) ----(BP exp) ----(MP exp) ClC(PCC)Cl -64.4PredN
CP(C(Cl)Cl)C7236144.963C3H7Cl2P(dichloromethyl)dimethylphosphaneN136CP(C(Cl)Cl)CInChI=1S/C3H7Cl2P/c1-6(2)3(4)5/h3H,1-2H3InChIKey=WWCDSZBHNKXUIE-UHFFFAOYSA-N128.6Ex 128.56(BP est) -64.86(MP est) ----(BP exp) ----(MP exp) CP(C(Cl)Cl)C -64.9PredN
CP(CCl)CCl7237144.963C3H7Cl2Pbis(chloromethyl)(methyl)phosphaneN136CP(CCl)CClInChI=1S/C3H7Cl2P/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=PQXQVNMMFSQZSY-UHFFFAOYSA-N166.1Ex 166.11(BP est) -46.39(MP est) ----(BP exp) ----(MP exp) CP(CCl)CCl -46.4PredN
SC(Br)(F)7238144.989CH2BrFSbromofluoromethanethiolN64SC(Br)(F)InChI=1S/CH2BrFS/c2-1(3)4/h1,4HInChIKey=DCCUHQIMVPZUQS-UHFFFAOYSA-N101.1Ex 101.05(BP est) -72.47(MP est) ----(BP exp) ----(MP exp) SC(Br)(F) -72.5PredN
BrC#CC1CC17239144.999C5H5Br(bromoethynyl)cyclopropaneN116BrC#CC1CC1InChI=1S/C5H5Br/c6-4-3-5-1-2-5/h5H,1-2H2InChIKey=OENOXKYUOKUMQB-UHFFFAOYSA-N145.7Ex 145.73(BP est) 14.11(MP est) ----(BP exp) ----(MP exp) BrC#CC1CC1 14.1PredN
BrC(C1=CC1)=C7240144.999C5H5Br1-(1-bromovinyl)cycloprop-1-eneN116BrC(C1=CC1)=CInChI=1S/C5H5Br/c1-4(6)5-2-3-5/h2H,1,3H2InChIKey=GIJXMRXWQDXZER-UHFFFAOYSA-N129.1Ex 129.10(BP est) -42.89(MP est) ----(BP exp) ----(MP exp) BrC(C1=CC1)=C -42.9PredN
BrC=CC1=CC17241144.999C5H5Br1-(2-bromovinyl)cycloprop-1-eneN116BrC=CC1=CC1InChI=1S/C5H5Br/c6-4-3-5-1-2-5/h1,3-4H,2H2InChIKey=PHXXXSYIJZRPRX-UHFFFAOYSA-N143.9Ex 143.93(BP est) -33.25(MP est) ----(BP exp) ----(MP exp) BrC=CC1=CC1 -33.3PredN
BrC1(C#C)CC17242144.999C5H5Br1-bromo-1-ethynylcyclopropaneN116BrC1(C#C)CC1InChI=1S/C5H5Br/c1-2-5(6)3-4-5/h1H,3-4H2InChIKey=DDJJUNOQNLJGOX-UHFFFAOYSA-N125.3Ex 125.33(BP est) -9.46(MP est) ----(BP exp) ----(MP exp) BrC1(C#C)CC1 -9.5PredN
BrC1CC1C#C7243144.999C5H5Br1-bromo-2-ethynylcyclopropaneN116BrC1CC1C#CInChI=1S/C5H5Br/c1-2-4-3-5(4)6/h1,4-5H,3H2InChIKey=NCVBJPBEEKLGTQ-UHFFFAOYSA-N130.8Ex 130.78(BP est) -21.94(MP est) ----(BP exp) ----(MP exp) BrC1CC1C#C -21.9PredN
BrC=C(C#C)C7244144.999C5H5Br1-bromo-2-methylbut-1-en-3-yneN116BrC=C(C#C)CInChI=1S/C5H5Br/c1-3-5(2)4-6/h1,4H,2H3InChIKey=XRAUWIQMVBKIIO-UHFFFAOYSA-N134.3Ex 134.31(BP est) -37.28(MP est) ----(BP exp) ----(MP exp) BrC=C(C#C)C -37.3PredN
BrC(C1)=C1C=C7245144.999C5H5Br1-bromo-2-vinylcycloprop-1-eneN116BrC(C1)=C1C=CInChI=1S/C5H5Br/c1-2-4-3-5(4)6/h2H,1,3H2InChIKey=YRTBTHMUCPWTMP-UHFFFAOYSA-N133.4Ex 133.37(BP est) -28.41(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1C=C -28.4PredN
C=C1CC(Br)=C17246144.999C5H5Br1-bromo-3-methylenecyclobut-1-eneN116C=C1CC(Br)=C1InChI=1S/C5H5Br/c1-4-2-5(6)3-4/h2H,1,3H2InChIKey=OYUGFCQVRBXOQS-UHFFFAOYSA-N133.4Ex 133.44(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) C=C1CC(Br)=C1 -28.7PredN
BrC1=CC1C=C7247144.999C5H5Br1-bromo-3-vinylcycloprop-1-eneN116BrC1=CC1C=CInChI=1S/C5H5Br/c1-2-4-3-5(4)6/h2-4H,1H2InChIKey=HBMUJCMOOCGARF-UHFFFAOYSA-N128.7Ex 128.71(BP est) -38.15(MP est) ----(BP exp) ----(MP exp) BrC1=CC1C=C -38.2PredN
C=C1CC=C1Br7248144.999C5H5Br1-bromo-4-methylenecyclobut-1-eneN116C=C1CC=C1BrInChI=1S/C5H5Br/c1-4-2-3-5(4)6/h3H,1-2H2InChIKey=VIOJILSQGSSRDM-UHFFFAOYSA-N133.4Ex 133.44(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) C=C1CC=C1Br -28.7PredN
BrC12C=C1CC27249144.999C5H5Br1-bromobicyclo[2.1.0]pent-4-eneN116BrC12C=C1CC2InChI=1S/C5H5Br/c6-5-2-1-4(5)3-5/h3H,1-2H2InChIKey=BRHFLOLUUQZNIF-UHFFFAOYSA-N126.8Ex 126.77(BP est) -13.04(MP est) ----(BP exp) ----(MP exp) BrC12C=C1CC2 -13PredN
BrC1=CC=CC17250144.999C5H5Br1-bromocyclopenta-1,3-dieneN116BrC1=CC=CC1InChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-3H,4H2InChIKey=OZDZHQJWJQHHMD-UHFFFAOYSA-N144.1Ex 144.07(BP est) -33.80(MP est) ----(BP exp) ----(MP exp) BrC1=CC=CC1 -33.8PredN
CC#CC=CBr7251144.999C5H5Br1-bromopent-1-en-3-yneN116CC#CC=CBrInChI=1S/C5H5Br/c1-2-3-4-5-6/h4-5H,1H3InChIKey=JWMDXOZAHLAFCU-UHFFFAOYSA-N148.8Ex 148.79(BP est) 3.49(MP est) ----(BP exp) ----(MP exp) CC#CC=CBr 3.5PredN
BrC=CCC#C7252144.999C5H5Br1-bromopent-1-en-4-yneN116BrC=CCC#CInChI=1S/C5H5Br/c1-2-3-4-5-6/h1,4-5H,3H2InChIKey=FFPBSOYFGWVHJC-UHFFFAOYSA-N140.5Ex 140.47(BP est) -28.50(MP est) ----(BP exp) ----(MP exp) BrC=CCC#C -28.5PredN
CC=CC#CBr7253144.999C5H5Br1-bromopent-3-en-1-yneN116CC=CC#CBrInChI=1S/C5H5Br/c1-2-3-4-5-6/h2-3H,1H3InChIKey=OSSFIMFGDYDRTR-UHFFFAOYSA-N148.8Ex 148.79(BP est) 3.49(MP est) ----(BP exp) ----(MP exp) CC=CC#CBr 3.5PredN
BrC1=CC12CC27254144.999C5H5Br1-bromospiro[2.2]pent-1-eneN116BrC1=CC12CC2InChI=1S/C5H5Br/c6-4-3-5(4)1-2-5/h3H,1-2H2InChIKey=ASXMUMUTBBQGJV-UHFFFAOYSA-N126.8Ex 126.77(BP est) -13.04(MP est) ----(BP exp) ----(MP exp) BrC1=CC12CC2 -13PredN
C=C(C#C)CBr7255144.999C5H5Br2-(bromomethyl)but-1-en-3-yneN116C=C(C#C)CBrInChI=1S/C5H5Br/c1-3-5(2)4-6/h1H,2,4H2InChIKey=PIFFRCSGLNOJOH-UHFFFAOYSA-N125.6Ex 125.55(BP est) -38.18(MP est) ----(BP exp) ----(MP exp) C=C(C#C)CBr -38.2PredN
BrC1CC2=C1C27256144.999C5H5Br2-bromobicyclo[2.1.0]pent-1(4)-eneN116BrC1CC2=C1C2InChI=1S/C5H5Br/c6-5-2-3-1-4(3)5/h5H,1-2H2InChIKey=MCSQRUUVWQPUOT-UHFFFAOYSA-N136.8Ex 136.84(BP est) -15.78(MP est) ----(BP exp) ----(MP exp) BrC1CC2=C1C2 -15.8PredN
BrC1CC2=CC217257144.999C5H5Br2-bromobicyclo[2.1.0]pent-4-eneN116BrC1CC2=CC21InChI=1S/C5H5Br/c6-5-2-3-1-4(3)5/h1,4-5H,2H2InChIKey=FZVJKKHERWSTRP-UHFFFAOYSA-N132.2Ex 132.21(BP est) -25.52(MP est) ----(BP exp) ----(MP exp) BrC1CC2=CC21 -25.5PredN
BrC1=CCC=C17258144.999C5H5Br2-bromocyclopenta-1,3-dieneN116BrC1=CCC=C1InChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1,3-4H,2H2InChIKey=MENOKTVICXNRDJ-UHFFFAOYSA-N144.1Ex 144.07(BP est) -33.80(MP est) ----(BP exp) ----(MP exp) BrC1=CCC=C1 -33.8PredN
CC#CC(Br)=C7259144.999C5H5Br2-bromopent-1-en-3-yneN116CC#CC(Br)=CInChI=1S/C5H5Br/c1-3-4-5(2)6/h2H2,1H3InChIKey=ZABZPCONMTXUGV-UHFFFAOYSA-N134.1Ex 134.09(BP est) -6.12(MP est) ----(BP exp) ----(MP exp) CC#CC(Br)=C -6.1PredN
BrC(CC#C)=C7260144.999C5H5Br2-bromopent-1-en-4-yneN116BrC(CC#C)=CInChI=1S/C5H5Br/c1-3-4-5(2)6/h1H,2,4H2InChIKey=NKGNONKYSDJTKO-UHFFFAOYSA-N125.6Ex 125.55(BP est) -38.18(MP est) ----(BP exp) ----(MP exp) BrC(CC#C)=C -38.2PredN
BrC(C1C=C1)=C7261144.999C5H5Br3-(1-bromovinyl)cycloprop-1-eneN116BrC(C1C=C1)=CInChI=1S/C5H5Br/c1-4(6)5-2-3-5/h2-3,5H,1H2InChIKey=SCNJFTHUKBPRBD-UHFFFAOYSA-N124.4Ex 124.41(BP est) -52.64(MP est) ----(BP exp) ----(MP exp) BrC(C1C=C1)=C -52.6PredN
BrC=CC1C=C17262144.999C5H5Br3-(2-bromovinyl)cycloprop-1-eneN116BrC=CC1C=C1InChI=1S/C5H5Br/c6-4-3-5-1-2-5/h1-5HInChIKey=OZARKDDXGMLCSD-UHFFFAOYSA-N139.4Ex 139.36(BP est) -42.96(MP est) ----(BP exp) ----(MP exp) BrC=CC1C=C1 -43PredN
BrC=C1CC=C17263144.999C5H5Br3-(bromomethylene)cyclobut-1-eneN116BrC=C1CC=C1InChI=1S/C5H5Br/c6-4-5-2-1-3-5/h1-2,4H,3H2InChIKey=IOIKHTBAIGBKQL-UHFFFAOYSA-N144.0Ex 144.00(BP est) -33.53(MP est) ----(BP exp) ----(MP exp) BrC=C1CC=C1 -33.5PredN
C=CC1=CC1Br7264144.999C5H5Br3-bromo-1-vinylcycloprop-1-eneN116C=CC1=CC1BrInChI=1S/C5H5Br/c1-2-4-3-5(4)6/h2-3,5H,1H2InChIKey=FFPGSFALLNOKND-UHFFFAOYSA-N128.7Ex 128.71(BP est) -38.15(MP est) ----(BP exp) ----(MP exp) C=CC1=CC1Br -38.2PredN
BrC1(C=C)C=C17265144.999C5H5Br3-bromo-3-vinylcycloprop-1-eneN116BrC1(C=C)C=C1InChI=1S/C5H5Br/c1-2-5(6)3-4-5/h2-4H,1H2InChIKey=UPNPYFWCQCJYQN-UHFFFAOYSA-N118.5Ex 118.50(BP est) -35.44(MP est) ----(BP exp) ----(MP exp) BrC1(C=C)C=C1 -35.4PredN
C=C1C(Br)C=C17266144.999C5H5Br3-bromo-4-methylenecyclobut-1-eneN116C=C1C(Br)C=C1InChI=1S/C5H5Br/c1-4-2-3-5(4)6/h2-3,5H,1H2InChIKey=AUFCHUWSOCKOMF-UHFFFAOYSA-N128.8Ex 128.79(BP est) -38.43(MP est) ----(BP exp) ----(MP exp) C=C1C(Br)C=C1 -38.4PredN
BrC1C2=CC2C17267144.999C5H5Br3-bromobicyclo[2.1.0]pent-4-eneN116BrC1C2=CC2C1InChI=1S/C5H5Br/c6-5-2-3-1-4(3)5/h1,3,5H,2H2InChIKey=BNDRFZDELLGFPF-UHFFFAOYSA-N132.2Ex 132.21(BP est) -25.52(MP est) ----(BP exp) ----(MP exp) BrC1C2=CC2C1 -25.5PredN
BrC(C#C)C=C7268144.999C5H5Br3-bromopent-1-en-4-yneN116BrC(C#C)C=CInChI=1S/C5H5Br/c1-3-5(6)4-2/h1,4-5H,2H2InChIKey=DJNLPAFKWIIHIS-UHFFFAOYSA-N117.9Ex 117.90(BP est) -40.93(MP est) ----(BP exp) ----(MP exp) BrC(C#C)C=C -40.9PredN
CC=C(C#C)Br7269144.999C5H5Br3-bromopent-3-en-1-yneN116CC=C(C#C)BrInChI=1S/C5H5Br/c1-3-5(6)4-2/h1,4H,2H3InChIKey=BEXNILYPWYMSNT-UHFFFAOYSA-N134.3Ex 134.31(BP est) -37.28(MP est) ----(BP exp) ----(MP exp) CC=C(C#C)Br -37.3PredN
C=C(C#CBr)C7270144.999C5H5Br4-bromo-2-methylbut-1-en-3-yneN116C=C(C#CBr)CInChI=1S/C5H5Br/c1-5(2)3-4-6/h1H2,2H3InChIKey=VJTCKSRBZTXHSC-UHFFFAOYSA-N134.1Ex 134.09(BP est) -6.12(MP est) ----(BP exp) ----(MP exp) C=C(C#CBr)C -6.1PredN
BrC(C)=CC#C7271144.999C5H5Br4-bromopent-3-en-1-yneN116BrC(C)=CC#CInChI=1S/C5H5Br/c1-3-4-5(2)6/h1,4H,2H3InChIKey=UDXDNHIJSUMHAO-UHFFFAOYSA-N134.3Ex 134.31(BP est) -37.28(MP est) ----(BP exp) ----(MP exp) BrC(C)=CC#C -37.3PredN
BrC1C2(C1)C=C27272144.999C5H5Br4-bromospiro[2.2]pent-1-eneN116BrC1C2(C1)C=C2InChI=1S/C5H5Br/c6-4-3-5(4)1-2-5/h1-2,4H,3H2InChIKey=ZMKIQAMZTJRSOC-UHFFFAOYSA-N122.1Ex 122.06(BP est) -22.79(MP est) ----(BP exp) ----(MP exp) BrC1C2(C1)C=C2 -22.8PredN
BrC1C2=C1CC27273144.999C5H5Br5-bromobicyclo[2.1.0]pent-1(4)-eneN116BrC1C2=C1CC2InChI=1S/C5H5Br/c6-5-3-1-2-4(3)5/h5H,1-2H2InChIKey=MOZHLBFHNBKKJZ-UHFFFAOYSA-N136.8Ex 136.84(BP est) -15.78(MP est) ----(BP exp) ----(MP exp) BrC1C2=C1CC2 -15.8PredN
BrC1=C2CCC127274144.999C5H5Br5-bromobicyclo[2.1.0]pent-4-eneN116BrC1=C2CCC12InChI=1S/C5H5Br/c6-5-3-1-2-4(3)5/h3H,1-2H2InChIKey=XWBJGJHDNFGXOB-UHFFFAOYSA-N136.8Ex 136.84(BP est) -15.78(MP est) ----(BP exp) ----(MP exp) BrC1=C2CCC12 -15.8PredN
BrC1C=CC=C17275144.999C5H5Br5-bromocyclopenta-1,3-dieneN116BrC1C=CC=C1InChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-5HInChIKey=PDKZJEILMGDSCG-UHFFFAOYSA-N139.5Ex 139.50(BP est) -43.52(MP est) ----(BP exp) ----(MP exp) BrC1C=CC=C1 -43.5PredN
BrCC#CC=C7276144.999C5H5Br5-bromopent-1-en-3-yneN116BrCC#CC=CInChI=1S/C5H5Br/c1-2-3-4-5-6/h2H,1,5H2InChIKey=YRCJIMKMXXFHFI-UHFFFAOYSA-N140.3Ex 140.26(BP est) 2.66(MP est) ----(BP exp) ----(MP exp) BrCC#CC=C 2.7PredN
C=CCC#CBr7277144.999C5H5Br5-bromopent-1-en-4-yneN116C=CCC#CBrInChI=1S/C5H5Br/c1-2-3-4-5-6/h2H,1,3H2InChIKey=KQXOPYNKYVNYBJ-UHFFFAOYSA-N140.3Ex 140.26(BP est) 2.66(MP est) ----(BP exp) ----(MP exp) C=CCC#CBr 2.7PredN
BrCC=CC#C7278144.999C5H5Br5-bromopent-3-en-1-yneN116BrCC=CC#CInChI=1S/C5H5Br/c1-2-3-4-5-6/h1,3-4H,5H2InChIKey=DTEFNNCAKDJTRT-UHFFFAOYSA-N140.5Ex 140.47(BP est) -28.50(MP est) ----(BP exp) ----(MP exp) BrCC=CC#C -28.5PredN
CSC(Cl)(C)Cl7279145.041C3H6Cl2S(1,1-dichloroethyl)(methyl)sulfaneN126CSC(Cl)(C)ClInChI=1S/C3H6Cl2S/c1-3(4,5)6-2/h1-2H3InChIKey=KFQXMEPMXFWBSM-UHFFFAOYSA-N120.9Ex 120.89(BP est) -48.00(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(C)Cl -48PredN
CSC(Cl)(CCl)7280145.041C3H6Cl2S(1,2-dichloroethyl)(methyl)sulfaneN126CSC(Cl)(CCl)InChI=1S/C3H6Cl2S/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=UYNGMCMAIHQODZ-UHFFFAOYSA-N166.2Ex 166.19(BP est) -43.49(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(CCl) -43.5PredN
C(Cl)SC(Cl)(C)7281145.041C3H6Cl2S(1-chloroethyl)(chloromethyl)sulfaneN126C(Cl)SC(Cl)(C)InChI=1S/C3H6Cl2S/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=ALXCOLYLIXNTQA-UHFFFAOYSA-N166.2Ex 166.19(BP est) -43.49(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Cl)(C) -43.5PredN
CSCC(Cl)Cl7282145.041C3H6Cl2S(2,2-dichloroethyl)(methyl)sulfaneN126CSCC(Cl)ClInChI=1S/C3H6Cl2S/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=RCMJEFAQSXRTCH-UHFFFAOYSA-N154.4Ex 154.38(BP est) -46.93(MP est) ----(BP exp) ----(MP exp) CSCC(Cl)Cl -46.9PredN
C(Cl)SC(CCl)7283145.041C3H6Cl2S(2-chloroethyl)(chloromethyl)sulfaneN126C(Cl)SC(CCl)InChI=1S/C3H6Cl2S/c4-1-2-6-3-5/h1-3H2InChIKey=HHQVSDLFPSFPST-UHFFFAOYSA-N190.2Ex 190.17(BP est) -28.99(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(CCl) -29PredN
ClC(SCC)Cl7284145.041C3H6Cl2S(dichloromethyl)(ethyl)sulfaneN126ClC(SCC)ClInChI=1S/C3H6Cl2S/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=IJGONUFAMRMFHF-UHFFFAOYSA-N154.4Ex 154.38(BP est) -46.93(MP est) ----(BP exp) ----(MP exp) ClC(SCC)Cl -46.9PredN
SC(Cl)(CC)Cl7285145.041C3H6Cl2S1,1-dichloropropane-1-thiolN126SC(Cl)(CC)ClInChI=1S/C3H6Cl2S/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=OXJQXVOGDVXFNI-UHFFFAOYSA-N134.7Ex 134.66(BP est) -42.95(MP est) ----(BP exp) ----(MP exp) SC(Cl)(CC)Cl -43PredN
SC(C(Cl)Cl)C7286145.041C3H6Cl2S1,1-dichloropropane-2-thiolN126SC(C(Cl)Cl)CInChI=1S/C3H6Cl2S/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=IJSNLXSKIXEXMV-UHFFFAOYSA-N154.3Ex 154.32(BP est) -53.42(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)Cl)C -53.4PredN
SC(C(C)Cl)Cl7287145.041C3H6Cl2S1,2-dichloropropane-1-thiolN126SC(C(C)Cl)ClInChI=1S/C3H6Cl2S/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=WXCPOZHWWLLQGA-UHFFFAOYSA-N154.3Ex 154.32(BP est) -53.42(MP est) ----(BP exp) ----(MP exp) SC(C(C)Cl)Cl -53.4PredN
SC(C)(CCl)Cl7288145.041C3H6Cl2S1,2-dichloropropane-2-thiolN126SC(C)(CCl)ClInChI=1S/C3H6Cl2S/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=CQSUWKIRMYJJBK-UHFFFAOYSA-N158.9Ex 158.85(BP est) -35.89(MP est) ----(BP exp) ----(MP exp) SC(C)(CCl)Cl -35.9PredN
SC(Cl)(CCCl)7289145.041C3H6Cl2S1,3-dichloropropane-1-thiolN126SC(Cl)(CCCl)InChI=1S/C3H6Cl2S/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=VHADBLHGLCMGQJ-UHFFFAOYSA-N178.9Ex 178.86(BP est) -38.76(MP est) ----(BP exp) ----(MP exp) SC(Cl)(CCCl) -38.8PredN
SC(CCl)(CCl)7290145.041C3H6Cl2S1,3-dichloropropane-2-thiolN126SC(CCl)(CCl)InChI=1S/C3H6Cl2S/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=KJXQVVUCGUUSHC-UHFFFAOYSA-N190.1Ex 190.11(BP est) -35.47(MP est) ----(BP exp) ----(MP exp) SC(CCl)(CCl) -35.5PredN
SCC(Cl)(C)Cl7291145.041C3H6Cl2S2,2-dichloropropane-1-thiolN126SCC(Cl)(C)ClInChI=1S/C3H6Cl2S/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=FWCURMQLMOZIDQ-UHFFFAOYSA-N134.7Ex 134.66(BP est) -42.95(MP est) ----(BP exp) ----(MP exp) SCC(Cl)(C)Cl -43PredN
SC(C(Cl)CCl)7292145.041C3H6Cl2S2,3-dichloropropane-1-thiolN126SC(C(Cl)CCl)InChI=1S/C3H6Cl2S/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=XEXDIHITHYLRAU-UHFFFAOYSA-N178.9Ex 178.86(BP est) -38.76(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)CCl) -38.8PredN
SC(CC(Cl)Cl)7293145.041C3H6Cl2S3,3-dichloropropane-1-thiolN126SC(CC(Cl)Cl)InChI=1S/C3H6Cl2S/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=HSKCATJIYROPOZ-UHFFFAOYSA-N167.4Ex 167.35(BP est) -42.12(MP est) ----(BP exp) ----(MP exp) SC(CC(Cl)Cl) -42.1PredN
OC(Cl)Br7298145.38CH2BrClObromochloromethanolN64OC(Cl)BrInChI=1S/CH2BrClO/c2-1(3)4/h1,4HInChIKey=OBWGEQGGFOVQDA-UHFFFAOYSA-N147.0Ex 146.99(BP est) -32.21(MP est) ----(BP exp) ----(MP exp) OC(Cl)Br -32.2PredN
ClC1CC1(Cl)Cl7299145.407C3H3Cl31,1,2-trichlorocyclopropaneN96ClC1CC1(Cl)ClInChI=1S/C3H3Cl3/c4-2-1-3(2,5)6/h2H,1H2InChIKey=IXIBEFDEGKUBRQ-UHFFFAOYSA-N124.2Ex 111.96(BP est) -35.26(MP est) ----(BP exp) ----(MP exp) ClC1CC1(Cl)Cl -35.3PredN
CC(Cl)=C(Cl)Cl7300145.407C3H3Cl31,1,2-trichloroprop-1-eneN96CC(Cl)=C(Cl)ClInChI=1S/C3H3Cl3/c1-2(4)3(5)6/h1H3InChIKey=LIPPKMMVZOHCIF-UHFFFAOYSA-N115.2Ex 102.43(BP est) -73.34(MP est) 118.00(BP exp) ----(MP exp) CC(Cl)=C(Cl)Cl -73.3PredN
ClCC=C(Cl)Cl7301145.407C3H3Cl31,1,3-trichloroprop-1-eneN96ClCC=C(Cl)ClInChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1H,2H2InChIKey=JFEVIPGMXQNRRF-UHFFFAOYSA-N131.6Ex 136.23(BP est) -56.49(MP est) 131.50(BP exp) ----(MP exp) ClCC=C(Cl)Cl -56.5PredN
ClC1C(Cl)C1Cl7302145.407C3H3Cl31,2,3-trichlorocyclopropaneN96ClC1C(Cl)C1ClInChI=1S/C3H3Cl3/c4-1-2(5)3(1)6/h1-3HInChIKey=PALOVZYYXHMYGK-UHFFFAOYSA-N142.4Ex 142.42(BP est) -40.44(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)C1Cl -40.4PredN
ClCC(Cl)=CCl7303145.407C3H3Cl31,2,3-trichloroprop-1-eneN96ClCC(Cl)=CClInChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2InChIKey=HIILBTHBHCLUER-UHFFFAOYSA-N142.0Ex 136.23(BP est) -56.49(MP est) 142.00(BP exp) ----(MP exp) ClCC(Cl)=CCl -56.5PredN
ClC(C=CCl)Cl7304145.407C3H3Cl31,3,3-trichloroprop-1-eneN96ClC(C=CCl)ClInChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1-3HInChIKey=KHMZDLNSWZGRDB-UHFFFAOYSA-N130.7Ex 130.71(BP est) -58.63(MP est) ----(BP exp) ----(MP exp) ClC(C=CCl)Cl -58.6PredN
ClC(C(Cl)=C)Cl7305145.407C3H3Cl32,3,3-trichloroprop-1-eneN96ClC(C(Cl)=C)ClInChI=1S/C3H3Cl3/c1-2(4)3(5)6/h3H,1H2InChIKey=IBQFTAQXUFAALH-UHFFFAOYSA-N115.5Ex 115.54(BP est) -68.38(MP est) ----(BP exp) ----(MP exp) ClC(C(Cl)=C)Cl -68.4PredN
ClC(Cl)(C=C)Cl7306145.407C3H3Cl33,3,3-trichloroprop-1-eneN96ClC(Cl)(C=C)ClInChI=1S/C3H3Cl3/c1-2-3(4,5)6/h2H,1H2InChIKey=VKEIPALYOJMDAC-UHFFFAOYSA-N107.5Ex 88.65(BP est) -60.53(MP est) 114.50(BP exp) -30.00(MP exp) ClC(Cl)(C=C)Cl -30ExptN
NC(Br)(F)(F)7307145.935CH2BrF2NbromodifluoromethanamineN75NC(Br)(F)(F)InChI=1S/CH2BrF2N/c2-1(3,4)5/h5H2InChIKey=GVKJHEUIQOAFAC-UHFFFAOYSA-N73.8Ex 73.79(BP est) -48.02(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(F) -48PredN
BrC(C1=CN1)=C7309145.987C4H4BrN2-(1-bromovinyl)-1H-azirineN106BrC(C1=CN1)=CInChI=1S/C4H4BrN/c1-3(5)4-2-6-4/h2,6H,1H2InChIKey=CIZOJFZUWJWRPX-UHFFFAOYSA-N164.9Ex 164.87(BP est) 14.43(MP est) ----(BP exp) ----(MP exp) BrC(C1=CN1)=C 14.4PredN
BrC=CC1=CN17310145.987C4H4BrN2-(2-bromovinyl)-1H-azirineN106BrC=CC1=CN1InChI=1S/C4H4BrN/c5-2-1-4-3-6-4/h1-3,6HInChIKey=IEPCKYFMSFTYNS-UHFFFAOYSA-N178.7Ex 178.73(BP est) 23.80(MP est) ----(BP exp) ----(MP exp) BrC=CC1=CN1 23.8PredN
BrC#CC1CN17311145.987C4H4BrN2-(bromoethynyl)aziridineN106BrC#CC1CN1InChI=1S/C4H4BrN/c5-2-1-4-3-6-4/h4,6H,3H2InChIKey=FOXXJKDKCQWLLR-UHFFFAOYSA-N180.4Ex 180.42(BP est) 31.40(MP est) ----(BP exp) ----(MP exp) BrC#CC1CN1 31.4PredN
BrC1(C#C)CN17312145.987C4H4BrN2-bromo-2-ethynylaziridineN106BrC1(C#C)CN1InChI=1S/C4H4BrN/c1-2-4(5)3-6-4/h1,6H,3H2InChIKey=LVRKEYGAFZGNKP-UHFFFAOYSA-N161.3Ex 161.33(BP est) 14.23(MP est) ----(BP exp) ----(MP exp) BrC1(C#C)CN1 14.2PredN
BrC1C(C#C)N17313145.987C4H4BrN2-bromo-3-ethynylaziridineN106BrC1C(C#C)N1InChI=1S/C4H4BrN/c1-2-3-4(5)6-3/h1,3-4,6HInChIKey=BUYBBTNRWDZDOH-UHFFFAOYSA-N166.4Ex 166.44(BP est) 9.44(MP est) ----(BP exp) ----(MP exp) BrC1C(C#C)N1 9.4PredN
BrC(N1)=C1C=C7314145.987C4H4BrN2-bromo-3-vinyl-1H-azirineN106BrC(N1)=C1C=CInChI=1S/C4H4BrN/c1-2-3-4(5)6-3/h2,6H,1H2InChIKey=WXUOYLKRJAPRTB-UHFFFAOYSA-N168.9Ex 168.86(BP est) 28.83(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1C=C 28.8PredN
BrC1CC2=C1N27315145.987C4H4BrN2-bromo-5-azabicyclo[2.1.0]pent-1(4)-eneN106BrC1CC2=C1N2InChI=1S/C4H4BrN/c5-2-1-3-4(2)6-3/h2,6H,1H2InChIKey=FIRZABMBGRPKKI-UHFFFAOYSA-N172.1Ex 172.11(BP est) 14.11(MP est) ----(BP exp) ----(MP exp) BrC1CC2=C1N2 14.1PredN
ClC1C(Cl)(Cl)N17325146.395C2H2Cl3N2,2,3-trichloroaziridineN86ClC1C(Cl)(Cl)N1InChI=1S/C2H2Cl3N/c3-1-2(4,5)6-1/h1,6HInChIKey=JMTRVZOYHOXODM-UHFFFAOYSA-N148.8Ex 148.80(BP est) 22.37(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(Cl)N1 22.4PredN
CSSC(Cl)(F)7326146.622C2H4ClFS21-(chlorofluoromethyl)-2-methyldisulfaneN106CSSC(Cl)(F)InChI=1S/C2H4ClFS2/c1-5-6-2(3)4/h2H,1H3InChIKey=MIMBSHSAAQKUSK-UHFFFAOYSA-N150.7Ex 150.68(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) CSSC(Cl)(F) -51.1PredN
C(Cl)SSC(F)7327146.622C2H4ClFS21-(chloromethyl)-2-(fluoromethyl)disulfaneN106C(Cl)SSC(F)InChI=1S/C2H4ClFS2/c3-1-5-6-2-4/h1-2H2InChIKey=NXZWTFYBWAGQTP-UHFFFAOYSA-N175.4Ex 175.40(BP est) -36.40(MP est) ----(BP exp) ----(MP exp) C(Cl)SSC(F) -36.4PredN
PC(Cl)=C(Cl)F7330146.91C2H2Cl2FP(1,2-dichloro-2-fluorovinyl)phosphaneN86PC(Cl)=C(Cl)FInChI=1S/C2H2Cl2FP/c3-1(5)2(4)6/h6H2InChIKey=ZLVKNMJGMDWOKM-UHFFFAOYSA-N105.6Ex 105.57(BP est) -77.04(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(Cl)F -77PredN
PC(F)=C(Cl)Cl7331146.91C2H2Cl2FP(2,2-dichloro-1-fluorovinyl)phosphaneN86PC(F)=C(Cl)ClInChI=1S/C2H2Cl2FP/c3-1(4)2(5)6/h6H2InChIKey=NBXCYWYPPMYGPA-UHFFFAOYSA-N105.6Ex 105.57(BP est) -77.04(MP est) ----(BP exp) ----(MP exp) PC(F)=C(Cl)Cl -77PredN
FC1C(Cl)(Cl)P17332146.91C2H2Cl2FP2,2-dichloro-3-fluorophosphiraneN86FC1C(Cl)(Cl)P1InChI=1S/C2H2Cl2FP/c3-2(4)1(5)6-2/h1,6HInChIKey=WRFZGAUDRCGPPF-UHFFFAOYSA-N76.8Ex 76.76(BP est) -56.57(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(Cl)P1 -56.6PredN
ClC1C(F)(Cl)P17333146.91C2H2Cl2FP2,3-dichloro-2-fluorophosphiraneN86ClC1C(F)(Cl)P1InChI=1S/C2H2Cl2FP/c3-1-2(4,5)6-1/h1,6HInChIKey=ASRGPDKMTBIWJM-UHFFFAOYSA-N90.2Ex 90.17(BP est) -52.66(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(Cl)P1 -52.7PredN
OC(Br)(F)(F)7334146.919CHBrF2ObromodifluoromethanolN65OC(Br)(F)(F)InChI=1S/CHBrF2O/c2-1(3,4)5/h5HInChIKey=UAQOSIAAYBBYJU-UHFFFAOYSA-N81.3Ex 81.32(BP est) -57.04(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(F) -57PredN
ClC(POC)Cl7339146.935C2H5Cl2OP(dichloromethyl)(methoxy)phosphaneN116ClC(POC)ClInChI=1S/C2H5Cl2OP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=IQCNPEFNRPCVKQ-UHFFFAOYSA-N128.5Ex 128.53(BP est) -58.70(MP est) ----(BP exp) ----(MP exp) ClC(POC)Cl -58.7PredN
O=P(C)C(Cl)Cl7340146.935C2H5Cl2OP(dichloromethyl)(methyl)phosphine oxideN116O=P(C)C(Cl)ClInChI=1S/C2H5Cl2OP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=WBCYBULFQVKALK-UHFFFAOYSA-N166.5Ex 166.52(BP est) -41.23(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Cl)Cl -41.2PredN
O=P(CCl)CCl7342146.935C2H5Cl2OPbis(chloromethyl)phosphine oxideN116O=P(CCl)CClInChI=1S/C2H5Cl2OP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=OICYTSXWEQDLPB-UHFFFAOYSA-N201.4Ex 201.44(BP est) -23.53(MP est) ----(BP exp) ----(MP exp) O=P(CCl)CCl -23.5PredN
C(Br)#C(C#CF)7343146.946C4BrF1-bromo-4-fluorobuta-1,3-diyneN66C(Br)#C(C#CF)InChI=1S/C4BrF/c5-3-1-2-4-6InChIKey=ARRGLGVAULLEDQ-UHFFFAOYSA-N137.9Ex 137.93(BP est) 8.73(MP est) ----(BP exp) ----(MP exp) C(Br)#C(C#CF) 8.7PredN
C#CC(CBr)=O7344146.971C4H3BrO1-bromobut-3-yn-2-oneN96C#CC(CBr)=OInChI=1S/C4H3BrO/c1-2-4(6)3-5/h1H,3H2InChIKey=FHYCMARVUCYRQU-UHFFFAOYSA-N154.8Ex 154.77(BP est) -2.46(MP est) ----(BP exp) ----(MP exp) C#CC(CBr)=O -2.5PredN
BrC(C1=CO1)=C7345146.971C4H3BrO2-(1-bromovinyl)oxireneN96BrC(C1=CO1)=CInChI=1S/C4H3BrO/c1-3(5)4-2-6-4/h2H,1H2InChIKey=UEOHNNJZMGFXDR-UHFFFAOYSA-N135.3Ex 135.25(BP est) -33.45(MP est) ----(BP exp) ----(MP exp) BrC(C1=CO1)=C -33.5PredN
BrC=CC1=CO17346146.971C4H3BrO2-(2-bromovinyl)oxireneN96BrC=CC1=CO1InChI=1S/C4H3BrO/c5-2-1-4-3-6-4/h1-3HInChIKey=QJTGNHRPGJLRLG-UHFFFAOYSA-N149.9Ex 149.92(BP est) -23.85(MP est) ----(BP exp) ----(MP exp) BrC=CC1=CO1 -23.9PredN
BrC#CC1CO17347146.971C4H3BrO2-(bromoethynyl)oxiraneN96BrC#CC1CO1InChI=1S/C4H3BrO/c5-2-1-4-3-6-4/h4H,3H2InChIKey=NSMVKKFUUNXVJB-UHFFFAOYSA-N151.7Ex 151.70(BP est) 23.50(MP est) ----(BP exp) ----(MP exp) BrC#CC1CO1 23.5PredN
BrC1(C#C)CO17348146.971C4H3BrO2-bromo-2-ethynyloxiraneN96BrC1(C#C)CO1InChI=1S/C4H3BrO/c1-2-4(5)3-6-4/h1H,3H2InChIKey=RLUXSKZJSKNABL-UHFFFAOYSA-N131.5Ex 131.52(BP est) -0.00(MP est) ----(BP exp) ----(MP exp) BrC1(C#C)CO1 0PredN
BrC1C(C#C)O17349146.971C4H3BrO2-bromo-3-ethynyloxiraneN96BrC1C(C#C)O1InChI=1S/C4H3BrO/c1-2-3-4(5)6-3/h1,3-4HInChIKey=LILCXSVTIVZNNP-UHFFFAOYSA-N136.9Ex 136.92(BP est) -12.50(MP est) ----(BP exp) ----(MP exp) BrC1C(C#C)O1 -12.5PredN
BrC(O1)=C1C=C7350146.971C4H3BrO2-bromo-3-vinyloxireneN96BrC(O1)=C1C=CInChI=1S/C4H3BrO/c1-2-3-4(5)6-3/h2H,1H2InChIKey=UDZLFWUOYWAWGC-UHFFFAOYSA-N139.5Ex 139.48(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1C=C -19PredN
BrC1CC2=C1O27351146.971C4H3BrO2-bromo-5-oxabicyclo[2.1.0]pent-1(4)-eneN96BrC1CC2=C1O2InChI=1S/C4H3BrO/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=MSWPNHXKXLTMPQ-UHFFFAOYSA-N142.9Ex 142.91(BP est) -6.36(MP est) ----(BP exp) ----(MP exp) BrC1CC2=C1O2 -6.4PredN
O=CC(C#C)Br7352146.971C4H3BrO2-bromobut-3-ynalN96O=CC(C#C)BrInChI=1S/C4H3BrO/c1-2-4(5)3-6/h1,3-4HInChIKey=OZCZFGOKGHNYOH-UHFFFAOYSA-N154.3Ex 154.31(BP est) -14.06(MP est) ----(BP exp) ----(MP exp) O=CC(C#C)Br -14.1PredN
C(=O)C#C(CBr)7353146.971C4H3BrO4-bromobut-2-ynalN96C(=O)C#C(CBr)InChI=1S/C4H3BrO/c5-3-1-2-4-6/h4H,3H2InChIKey=WEIYZHDFPHHBNI-UHFFFAOYSA-N175.2Ex 175.24(BP est) 29.12(MP est) ----(BP exp) ----(MP exp) C(=O)C#C(CBr) 29.1PredN
C(=O)C(C#CBr)7354146.971C4H3BrO4-bromobut-3-ynalN96C(=O)C(C#CBr)InChI=1S/C4H3BrO/c5-3-1-2-4-6/h4H,2H2InChIKey=PEFBJNJDCCAAGH-UHFFFAOYSA-N175.2Ex 175.24(BP est) 29.12(MP est) ----(BP exp) ----(MP exp) C(=O)C(C#CBr) 29.1PredN
FC1C(Cl)(Cl)S17355146.988C2HCl2FS2,2-dichloro-3-fluorothiiraneN76FC1C(Cl)(Cl)S1InChI=1S/C2HCl2FS/c3-2(4)1(5)6-2/h1HInChIKey=PWAPPKVNKFDXPR-UHFFFAOYSA-N105.4Ex 105.38(BP est) -18.76(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(Cl)S1 -18.8PredN
ClC1C(Cl)(F)S17356146.988C2HCl2FS2,3-dichloro-2-fluorothiiraneN76ClC1C(Cl)(F)S1InChI=1S/C2HCl2FS/c3-1-2(4,5)6-1/h1HInChIKey=MDJKGCVAUGKIOS-UHFFFAOYSA-N118.2Ex 118.21(BP est) -15.01(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(F)S1 -15PredN
BrC(C)=C1CC17357147.015C5H7Br(1-bromoethylidene)cyclopropaneN136BrC(C)=C1CC1InChI=1S/C5H7Br/c1-4(6)5-2-3-5/h2-3H2,1H3InChIKey=LPUMDBWYKUXRIU-UHFFFAOYSA-N132.8Ex 132.83(BP est) -42.39(MP est) ----(BP exp) ----(MP exp) BrC(C)=C1CC1 -42.4PredN
BrC(C1CC1)=C7358147.015C5H7Br(1-bromovinyl)cyclopropaneN136BrC(C1CC1)=CInChI=1S/C5H7Br/c1-4(6)5-2-3-5/h5H,1-3H2InChIKey=QMOJJUDKSYXHAH-UHFFFAOYSA-N121.4Ex 121.37(BP est) -53.91(MP est) ----(BP exp) ----(MP exp) BrC(C1CC1)=C -53.9PredN
BrCC=C1CC17359147.015C5H7Br(2-bromoethylidene)cyclopropaneN136BrCC=C1CC1InChI=1S/C5H7Br/c6-4-3-5-1-2-5/h3H,1-2,4H2InChIKey=WSISHNCXPWYJGY-UHFFFAOYSA-N139.0Ex 139.00(BP est) -33.60(MP est) ----(BP exp) ----(MP exp) BrCC=C1CC1 -33.6PredN
BrC=CC1CC17360147.015C5H7Br(2-bromovinyl)cyclopropaneN136BrC=CC1CC1InChI=1S/C5H7Br/c6-4-3-5-1-2-5/h3-5H,1-2H2InChIKey=MSIDGEINKGACAX-UHFFFAOYSA-N136.4Ex 136.39(BP est) -44.21(MP est) ----(BP exp) ----(MP exp) BrC=CC1CC1 -44.2PredN
BrC=C1CCC17361147.015C5H7Br(bromomethylene)cyclobutaneN136BrC=C1CCC1InChI=1S/C5H7Br/c6-4-5-2-1-3-5/h4H,1-3H2InChIKey=HIIAWPLDUSIIEM-UHFFFAOYSA-N141.1Ex 141.06(BP est) -34.76(MP est) ----(BP exp) ----(MP exp) BrC=C1CCC1 -34.8PredN
BrC(C)C1=CC17362147.015C5H7Br1-(1-bromoethyl)cycloprop-1-eneN136BrC(C)C1=CC1InChI=1S/C5H7Br/c1-4(6)5-2-3-5/h2,4H,3H2,1H3InChIKey=AKCJUMREJNFVRX-UHFFFAOYSA-N123.2Ex 123.23(BP est) -44.25(MP est) ----(BP exp) ----(MP exp) BrC(C)C1=CC1 -44.3PredN
BrCCC1=CC17363147.015C5H7Br1-(2-bromoethyl)cycloprop-1-eneN136BrCCC1=CC1InChI=1S/C5H7Br/c6-4-3-5-1-2-5/h1H,2-4H2InChIKey=ITJRXCLPXRJCAO-UHFFFAOYSA-N137.0Ex 137.01(BP est) -32.73(MP est) ----(BP exp) ----(MP exp) BrCCC1=CC1 -32.7PredN
CC(C1)=C1CBr7364147.015C5H7Br1-(bromomethyl)-2-methylcycloprop-1-eneN136CC(C1)=C1CBrInChI=1S/C5H7Br/c1-4-2-5(4)3-6/h2-3H2,1H3InChIKey=LHFRUVURXWVFEV-UHFFFAOYSA-N135.1Ex 135.07(BP est) -27.03(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1CBr -27PredN
BrCC1=CC1C7365147.015C5H7Br1-(bromomethyl)-3-methylcycloprop-1-eneN136BrCC1=CC1CInChI=1S/C5H7Br/c1-4-2-5(4)3-6/h2,4H,3H2,1H3InChIKey=OOXWLNGPVMOCDY-UHFFFAOYSA-N130.4Ex 130.42(BP est) -36.77(MP est) ----(BP exp) ----(MP exp) BrCC1=CC1C -36.8PredN
BrCC1=CCC17366147.015C5H7Br1-(bromomethyl)cyclobut-1-eneN136BrCC1=CCC1InChI=1S/C5H7Br/c6-4-5-2-1-3-5/h2H,1,3-4H2InChIKey=KCOITRNPCINKGE-UHFFFAOYSA-N139.1Ex 139.08(BP est) -33.88(MP est) ----(BP exp) ----(MP exp) BrCC1=CCC1 -33.9PredN
BrC1(C=C)CC17367147.015C5H7Br1-bromo-1-vinylcyclopropaneN136BrC1(C=C)CC1InChI=1S/C5H7Br/c1-2-5(6)3-4-5/h2H,1,3-4H2InChIKey=TYFGGWWWEMJJKM-UHFFFAOYSA-N115.4Ex 115.43(BP est) -36.72(MP est) ----(BP exp) ----(MP exp) BrC1(C=C)CC1 -36.7PredN
BrC(C1C)=C1C7368147.015C5H7Br1-bromo-2,3-dimethylcycloprop-1-eneN136BrC(C1C)=C1CInChI=1S/C5H7Br/c1-3-4(2)5(3)6/h3H,1-2H3InChIKey=MQYNQRNZHRONKA-UHFFFAOYSA-N128.5Ex 128.46(BP est) -31.08(MP est) ----(BP exp) ----(MP exp) BrC(C1C)=C1C -31.1PredN
BrC(C1)=C1CC7369147.015C5H7Br1-bromo-2-ethylcycloprop-1-eneN136BrC(C1)=C1CCInChI=1S/C5H7Br/c1-2-4-3-5(4)6/h2-3H2,1H3InChIKey=STABUUDPOPCQLC-UHFFFAOYSA-N135.1Ex 135.07(BP est) -27.03(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1CC -27PredN
CC=C1CC1Br7370147.015C5H7Br1-bromo-2-ethylidenecyclopropaneN136CC=C1CC1BrInChI=1S/C5H7Br/c1-2-4-3-5(4)6/h2,5H,3H2,1H3InChIKey=MBZNPPAXHFERQR-UHFFFAOYSA-N132.4Ex 132.44(BP est) -37.64(MP est) ----(BP exp) ----(MP exp) CC=C1CC1Br -37.6PredN
BrC=C(C=C)C7371147.015C5H7Br1-bromo-2-methylbuta-1,3-dieneN136BrC=C(C=C)CInChI=1S/C5H7Br/c1-3-5(2)4-6/h3-4H,1H2,2H3InChIKey=RVOJIOKYKGIYHK-UHFFFAOYSA-N124.6Ex 124.56(BP est) -64.49(MP est) ----(BP exp) ----(MP exp) BrC=C(C=C)C -64.5PredN
BrC(CC1)=C1C7372147.015C5H7Br1-bromo-2-methylcyclobut-1-eneN136BrC(CC1)=C1CInChI=1S/C5H7Br/c1-4-2-3-5(4)6/h2-3H2,1H3InChIKey=WHGLESANVVYUGY-UHFFFAOYSA-N137.1Ex 137.14(BP est) -28.19(MP est) ----(BP exp) ----(MP exp) BrC(CC1)=C1C -28.2PredN
C=C1CCC1Br7373147.015C5H7Br1-bromo-2-methylenecyclobutaneN136C=C1CCC1BrInChI=1S/C5H7Br/c1-4-2-3-5(4)6/h5H,1-3H2InChIKey=GLWUBQGZXSZFML-UHFFFAOYSA-N125.8Ex 125.77(BP est) -39.69(MP est) ----(BP exp) ----(MP exp) C=C1CCC1Br -39.7PredN
BrC1C(C=C)C17374147.015C5H7Br1-bromo-2-vinylcyclopropaneN136BrC1C(C=C)C1InChI=1S/C5H7Br/c1-2-4-3-5(4)6/h2,4-5H,1,3H2InChIKey=ANHOWYMDRHBUGX-UHFFFAOYSA-N121.0Ex 120.98(BP est) -49.17(MP est) ----(BP exp) ----(MP exp) BrC1C(C=C)C1 -49.2PredN
BrC1=CC1(C)C7375147.015C5H7Br1-bromo-3,3-dimethylcycloprop-1-eneN136BrC1=CC1(C)CInChI=1S/C5H7Br/c1-5(2)3-4(5)6/h3H,1-2H3InChIKey=CVJVOSUYYWMREY-UHFFFAOYSA-N118.2Ex 118.24(BP est) -28.38(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(C)C -28.4PredN
BrC1=CC1CC7376147.015C5H7Br1-bromo-3-ethylcycloprop-1-eneN136BrC1=CC1CCInChI=1S/C5H7Br/c1-2-4-3-5(4)6/h3-4H,2H2,1H3InChIKey=ZMGFAEKGPHAMCT-UHFFFAOYSA-N130.4Ex 130.42(BP est) -36.77(MP est) ----(BP exp) ----(MP exp) BrC1=CC1CC -36.8PredN
CC(C#CBr)C7377147.015C5H7Br1-bromo-3-methylbut-1-yneN136CC(C#CBr)CInChI=1S/C5H7Br/c1-5(2)3-4-6/h5H,1-2H3InChIKey=OKVBBZDVXLQXCD-UHFFFAOYSA-N128.3Ex 128.27(BP est) -7.46(MP est) ----(BP exp) ----(MP exp) CC(C#CBr)C -7.5PredN
C=C(C=CBr)C7378147.015C5H7Br1-bromo-3-methylbuta-1,3-dieneN136C=C(C=CBr)CInChI=1S/C5H7Br/c1-5(2)3-4-6/h3-4H,1H2,2H3InChIKey=JVDWKJQBWSKJOJ-UHFFFAOYSA-N124.6Ex 124.56(BP est) -64.49(MP est) ----(BP exp) ----(MP exp) C=C(C=CBr)C -64.5PredN
CC1CC(Br)=C17379147.015C5H7Br1-bromo-3-methylcyclobut-1-eneN136CC1CC(Br)=C1InChI=1S/C5H7Br/c1-4-2-5(6)3-4/h2,4H,3H2,1H3InChIKey=PDJGRXAPJGSZBK-UHFFFAOYSA-N132.5Ex 132.51(BP est) -37.92(MP est) ----(BP exp) ----(MP exp) CC1CC(Br)=C1 -37.9PredN
C=C1CC(Br)C17380147.015C5H7Br1-bromo-3-methylenecyclobutaneN136C=C1CC(Br)C1InChI=1S/C5H7Br/c1-4-2-5(6)3-4/h5H,1-3H2InChIKey=YGPKSFISHDZFTK-UHFFFAOYSA-N125.8Ex 125.77(BP est) -39.69(MP est) ----(BP exp) ----(MP exp) C=C1CC(Br)C1 -39.7PredN
CC1CC=C1Br7381147.015C5H7Br1-bromo-4-methylcyclobut-1-eneN136CC1CC=C1BrInChI=1S/C5H7Br/c1-4-2-3-5(4)6/h3-4H,2H2,1H3InChIKey=RVUFZDXKOXPTPI-UHFFFAOYSA-N132.5Ex 132.51(BP est) -37.92(MP est) ----(BP exp) ----(MP exp) CC1CC=C1Br -37.9PredN
BrC12CC1CC27382147.015C5H7Br1-bromobicyclo[2.1.0]pentaneN136BrC12CC1CC2InChI=1S/C5H7Br/c6-5-2-1-4(5)3-5/h4H,1-3H2InChIKey=UZUQNKQOTYDJHO-UHFFFAOYSA-N119.0Ex 119.01(BP est) -24.06(MP est) ----(BP exp) ----(MP exp) BrC12CC1CC2 -24.1PredN
BrC1=CCCC17383147.015C5H7Br1-bromocyclopent-1-eneN136BrC1=CCCC1InChI=1S/C5H7Br/c6-5-3-1-2-4-5/h3H,1-2,4H2InChIKey=XNHUZSZMXSLTQL-UHFFFAOYSA-N127.3Ex 141.14(BP est) -35.04(MP est) ----(BP exp) ----(MP exp) BrC1=CCCC1 -35PredN
CCCC#CBr7384147.015C5H7Br1-bromopent-1-yneN136CCCC#CBrInChI=1S/C5H7Br/c1-2-3-4-5-6/h2-3H2,1H3InChIKey=TWFJIRZDULTSKN-UHFFFAOYSA-N141.9Ex 141.93(BP est) 4.03(MP est) ----(BP exp) ----(MP exp) CCCC#CBr 4PredN
BrCC#CCC7385147.015C5H7Br1-bromopent-2-yneN136BrCC#CCCInChI=1S/C5H7Br/c1-2-3-4-5-6/h2,5H2,1H3InChIKey=VDHGRVFJBGRHMD-UHFFFAOYSA-N112.5Ex 141.93(BP est) 4.03(MP est) ----(BP exp) ----(MP exp) BrCC#CCC 4PredN
CC=CC=CBr7386147.015C5H7Br1-bromopenta-1,3-dieneN136CC=CC=CBrInChI=1S/C5H7Br/c1-2-3-4-5-6/h2-5H,1H3InChIKey=NEKANQSSYILWHA-UHFFFAOYSA-N139.5Ex 139.50(BP est) -54.81(MP est) ----(BP exp) ----(MP exp) CC=CC=CBr -54.8PredN
C=CCC=CBr7387147.015C5H7Br1-bromopenta-1,4-dieneN136C=CCC=CBrInChI=1S/C5H7Br/c1-2-3-4-5-6/h2,4-5H,1,3H2InChIKey=YAEIKZISLPEQRO-UHFFFAOYSA-N130.8Ex 130.83(BP est) -55.68(MP est) ----(BP exp) ----(MP exp) C=CCC=CBr -55.7PredN
BrC1C2(C1)CC27388147.015C5H7Br1-bromospiro[2.2]pentaneN136BrC1C2(C1)CC2InChI=1S/C5H7Br/c6-4-3-5(4)1-2-5/h4H,1-3H2InChIKey=PCOQWADEUQYEKD-UHFFFAOYSA-N119.0Ex 119.01(BP est) -24.06(MP est) ----(BP exp) ----(MP exp) BrC1C2(C1)CC2 -24.1PredN
C=C(C=C)CBr7389147.015C5H7Br2-(bromomethyl)buta-1,3-dieneN136C=C(C=C)CBrInChI=1S/C5H7Br/c1-3-5(2)4-6/h3H,1-2,4H2InChIKey=KWEFLUDPRLSSTJ-UHFFFAOYSA-N115.7Ex 115.66(BP est) -65.43(MP est) ----(BP exp) ----(MP exp) C=C(C=C)CBr -65.4PredN
C=C(C(Br)=C)C7390147.015C5H7Br2-bromo-3-methylbuta-1,3-dieneN136C=C(C(Br)=C)CInChI=1S/C5H7Br/c1-4(2)5(3)6/h1,3H2,2H3InChIKey=PJZAUYVLCOINQN-UHFFFAOYSA-N109.2Ex 109.23(BP est) -74.28(MP est) ----(BP exp) ----(MP exp) C=C(C(Br)=C)C -74.3PredN
BrC1CC2CC217391147.015C5H7Br2-bromobicyclo[2.1.0]pentaneN136BrC1CC2CC21InChI=1S/C5H7Br/c6-5-2-3-1-4(3)5/h3-5H,1-2H2InChIKey=IXPDSRVAWMACBJ-UHFFFAOYSA-N124.5Ex 124.53(BP est) -36.52(MP est) ----(BP exp) ----(MP exp) BrC1CC2CC21 -36.5PredN
CC=CC(Br)=C7392147.015C5H7Br2-bromopenta-1,3-dieneN136CC=CC(Br)=CInChI=1S/C5H7Br/c1-3-4-5(2)6/h3-4H,2H2,1H3InChIKey=GLRCRDAAMUODFR-UHFFFAOYSA-N124.6Ex 124.56(BP est) -64.49(MP est) ----(BP exp) ----(MP exp) CC=CC(Br)=C -64.5PredN
C=CCC(Br)=C7393147.015C5H7Br2-bromopenta-1,4-dieneN136C=CCC(Br)=CInChI=1S/C5H7Br/c1-3-4-5(2)6/h3H,1-2,4H2InChIKey=NOXZHJBALXFOGO-UHFFFAOYSA-N115.7Ex 115.66(BP est) -65.43(MP est) ----(BP exp) ----(MP exp) C=CCC(Br)=C -65.4PredN
BrC(C)C1C=C17394147.015C5H7Br3-(1-bromoethyl)cycloprop-1-eneN136BrC(C)C1C=C1InChI=1S/C5H7Br/c1-4(6)5-2-3-5/h2-5H,1H3InChIKey=PVPLUFNGLAJRCS-UHFFFAOYSA-N118.5Ex 118.49(BP est) -54.01(MP est) ----(BP exp) ----(MP exp) BrC(C)C1C=C1 -54PredN
BrCCC1C=C17395147.015C5H7Br3-(2-bromoethyl)cycloprop-1-eneN136BrCCC1C=C1InChI=1S/C5H7Br/c6-4-3-5-1-2-5/h1-2,5H,3-4H2InChIKey=YQPVRSRUTPZNKP-UHFFFAOYSA-N132.4Ex 132.38(BP est) -42.46(MP est) ----(BP exp) ----(MP exp) BrCCC1C=C1 -42.5PredN
CC1=CC1CBr7396147.015C5H7Br3-(bromomethyl)-1-methylcycloprop-1-eneN136CC1=CC1CBrInChI=1S/C5H7Br/c1-4-2-5(4)3-6/h2,5H,3H2,1H3InChIKey=NRPBOCZHYBSZGZ-UHFFFAOYSA-N130.4Ex 130.42(BP est) -36.77(MP est) ----(BP exp) ----(MP exp) CC1=CC1CBr -36.8PredN
CC1(CBr)C=C17397147.015C5H7Br3-(bromomethyl)-3-methylcycloprop-1-eneN136CC1(CBr)C=C1InChI=1S/C5H7Br/c1-5(4-6)2-3-5/h2-3H,4H2,1H3InChIKey=SXTTVVHVQQFEEV-UHFFFAOYSA-N120.2Ex 120.24(BP est) -34.05(MP est) ----(BP exp) ----(MP exp) CC1(CBr)C=C1 -34.1PredN
BrCC1CC=C17398147.015C5H7Br3-(bromomethyl)cyclobut-1-eneN136BrCC1CC=C1InChI=1S/C5H7Br/c6-4-5-2-1-3-5/h1-2,5H,3-4H2InChIKey=MUQZNJRWIDZPDM-UHFFFAOYSA-N134.5Ex 134.47(BP est) -43.61(MP est) ----(BP exp) ----(MP exp) BrCC1CC=C1 -43.6PredN
CC(C1Br)=C1C7399147.015C5H7Br3-bromo-1,2-dimethylcycloprop-1-eneN136CC(C1Br)=C1CInChI=1S/C5H7Br/c1-3-4(2)5(3)6/h5H,1-2H3InChIKey=WYWDIQVZRGLHKQ-UHFFFAOYSA-N128.5Ex 128.46(BP est) -31.08(MP est) ----(BP exp) ----(MP exp) CC(C1Br)=C1C -31.1PredN
CC1=CC1(C)Br7400147.015C5H7Br3-bromo-1,3-dimethylcycloprop-1-eneN136CC1=CC1(C)BrInChI=1S/C5H7Br/c1-4-3-5(4,2)6/h3H,1-2H3InChIKey=KDGSRUOZWJFLQC-UHFFFAOYSA-N118.2Ex 118.24(BP est) -28.38(MP est) ----(BP exp) ----(MP exp) CC1=CC1(C)Br -28.4PredN
CCC1=CC1Br7401147.015C5H7Br3-bromo-1-ethylcycloprop-1-eneN136CCC1=CC1BrInChI=1S/C5H7Br/c1-2-4-3-5(4)6/h3,5H,2H2,1H3InChIKey=LYGLAIMBUCNEDI-UHFFFAOYSA-N130.4Ex 130.42(BP est) -36.77(MP est) ----(BP exp) ----(MP exp) CCC1=CC1Br -36.8PredN
BrC(C1)C=C1C7402147.015C5H7Br3-bromo-1-methylcyclobut-1-eneN136BrC(C1)C=C1CInChI=1S/C5H7Br/c1-4-2-5(6)3-4/h2,5H,3H2,1H3InChIKey=MICNNUQEOKKFGC-UHFFFAOYSA-N132.5Ex 132.51(BP est) -37.92(MP est) ----(BP exp) ----(MP exp) BrC(C1)C=C1C -37.9PredN
BrC1(CC)C=C17403147.015C5H7Br3-bromo-3-ethylcycloprop-1-eneN136BrC1(CC)C=C1InChI=1S/C5H7Br/c1-2-5(6)3-4-5/h3-4H,2H2,1H3InChIKey=RLIFOWKWNZRSAA-UHFFFAOYSA-N120.2Ex 120.24(BP est) -34.05(MP est) ----(BP exp) ----(MP exp) BrC1(CC)C=C1 -34.1PredN
BrC(C)(C#C)C7404147.015C5H7Br3-bromo-3-methylbut-1-yneN136BrC(C)(C#C)CInChI=1S/C5H7Br/c1-4-5(2,3)6/h1H,2-3H3InChIKey=AETOGZWYRRUFFS-UHFFFAOYSA-N94.5Ex 110.35(BP est) -33.54(MP est) ----(BP exp) ----(MP exp) BrC(C)(C#C)C -33.5PredN
BrC1(CC=C1)C7405147.015C5H7Br3-bromo-3-methylcyclobut-1-eneN136BrC1(CC=C1)CInChI=1S/C5H7Br/c1-5(6)3-2-4-5/h2-3H,4H2,1H3InChIKey=GHISSAMXNXYYBE-UHFFFAOYSA-N122.4Ex 122.37(BP est) -35.19(MP est) ----(BP exp) ----(MP exp) BrC1(CC=C1)C -35.2PredN
CC1C(Br)C=C17406147.015C5H7Br3-bromo-4-methylcyclobut-1-eneN136CC1C(Br)C=C1InChI=1S/C5H7Br/c1-4-2-3-5(4)6/h2-5H,1H3InChIKey=UKCCCLINGFLVRP-UHFFFAOYSA-N127.9Ex 127.85(BP est) -47.66(MP est) ----(BP exp) ----(MP exp) CC1C(Br)C=C1 -47.7PredN
BrC1CCC=C17407147.015C5H7Br3-bromocyclopent-1-eneN136BrC1CCC=C1InChI=1S/C5H7Br/c6-5-3-1-2-4-5/h1,3,5H,2,4H2InChIKey=GQWYECAAVJTKGA-UHFFFAOYSA-N136.5Ex 136.54(BP est) -44.76(MP est) ----(BP exp) ----(MP exp) BrC1CCC=C1 -44.8PredN
CCC(C#C)Br7408147.015C5H7Br3-bromopent-1-yneN136CCC(C#C)BrInChI=1S/C5H7Br/c1-3-5(6)4-2/h1,5H,4H2,2H3InChIKey=ZFMAKUZDEVRFGM-UHFFFAOYSA-N119.6Ex 119.64(BP est) -39.54(MP est) ----(BP exp) ----(MP exp) CCC(C#C)Br -39.5PredN
CC=C(C=C)Br7409147.015C5H7Br3-bromopenta-1,3-dieneN136CC=C(C=C)BrInChI=1S/C5H7Br/c1-3-5(6)4-2/h3-4H,1H2,2H3InChIKey=LPVGQENACREGMI-UHFFFAOYSA-N124.6Ex 124.56(BP est) -64.49(MP est) ----(BP exp) ----(MP exp) CC=C(C=C)Br -64.5PredN
BrC(C=C)C=C7410147.015C5H7Br3-bromopenta-1,4-dieneN136BrC(C=C)C=CInChI=1S/C5H7Br/c1-3-5(6)4-2/h3-5H,1-2H2InChIKey=OREIOESYRJCADP-UHFFFAOYSA-N107.9Ex 107.88(BP est) -68.22(MP est) ----(BP exp) ----(MP exp) BrC(C=C)C=C -68.2PredN
CC1=CCC1Br7411147.015C5H7Br4-bromo-1-methylcyclobut-1-eneN136CC1=CCC1BrInChI=1S/C5H7Br/c1-4-2-3-5(4)6/h2,5H,3H2,1H3InChIKey=QADOZEFARABEFC-UHFFFAOYSA-N132.5Ex 132.51(BP est) -37.92(MP est) ----(BP exp) ----(MP exp) CC1=CCC1Br -37.9PredN
CC(C#C)CBr7412147.015C5H7Br4-bromo-3-methylbut-1-yneN136CC(C#C)CBrInChI=1S/C5H7Br/c1-3-5(2)4-6/h1,5H,4H2,2H3InChIKey=NCPOZUNXTGGSLS-UHFFFAOYSA-N119.6Ex 119.64(BP est) -39.54(MP est) ----(BP exp) ----(MP exp) CC(C#C)CBr -39.5PredN
BrC1CC=CC17413147.015C5H7Br4-bromocyclopent-1-eneN136BrC1CC=CC1InChI=1S/C5H7Br/c6-5-3-1-2-4-5/h1-2,5H,3-4H2InChIKey=GGKPXSIBMKNXJA-UHFFFAOYSA-N136.5Ex 136.54(BP est) -44.76(MP est) ----(BP exp) ----(MP exp) BrC1CC=CC1 -44.8PredN
BrC(CC#C)C7414147.015C5H7Br4-bromopent-1-yneN136BrC(CC#C)CInChI=1S/C5H7Br/c1-3-4-5(2)6/h1,5H,4H2,2H3InChIKey=UAJKNRZBWKPSJO-UHFFFAOYSA-N119.6Ex 119.64(BP est) -39.54(MP est) ----(BP exp) ----(MP exp) BrC(CC#C)C -39.5PredN
CC#CC(C)Br7415147.015C5H7Br4-bromopent-2-yneN136CC#CC(C)BrInChI=1S/C5H7Br/c1-3-4-5(2)6/h5H,1-2H3InChIKey=OKQTYALBFDHRAM-UHFFFAOYSA-N128.3Ex 128.27(BP est) -7.46(MP est) ----(BP exp) ----(MP exp) CC#CC(C)Br -7.5PredN
BrC(C)=CC=C7416147.015C5H7Br4-bromopenta-1,3-dieneN136BrC(C)=CC=CInChI=1S/C5H7Br/c1-3-4-5(2)6/h3-4H,1H2,2H3InChIKey=RGJLVXCCBLZVAF-UHFFFAOYSA-N124.6Ex 124.56(BP est) -64.49(MP est) ----(BP exp) ----(MP exp) BrC(C)=CC=C -64.5PredN
BrC1C2C1CC27417147.015C5H7Br5-bromobicyclo[2.1.0]pentaneN136BrC1C2C1CC2InChI=1S/C5H7Br/c6-5-3-1-2-4(3)5/h3-5H,1-2H2InChIKey=LUKGFYGZTPDWQY-UHFFFAOYSA-N124.5Ex 124.53(BP est) -36.52(MP est) ----(BP exp) ----(MP exp) BrC1C2C1CC2 -36.5PredN
BrCCCC#C7418147.015C5H7Br5-bromopent-1-yneN136BrCCCC#CInChI=1S/C5H7Br/c1-2-3-4-5-6/h1H,3-5H2InChIKey=KEKBNXAJNJSILY-UHFFFAOYSA-N134.5Ex 133.51(BP est) -27.99(MP est) ----(BP exp) ----(MP exp) BrCCCC#C -28PredN
CC#CCCBr7419147.015C5H7Br5-bromopent-2-yneN136CC#CCCBrInChI=1S/C5H7Br/c1-2-3-4-5-6/h4-5H2,1H3InChIKey=XXTLMXOGRBXMQF-UHFFFAOYSA-N141.9Ex 141.93(BP est) 4.03(MP est) ----(BP exp) ----(MP exp) CC#CCCBr 4PredN
BrCC=CC=C7420147.015C5H7Br5-bromopenta-1,3-dieneN136BrCC=CC=CInChI=1S/C5H7Br/c1-2-3-4-5-6/h2-4H,1,5H2InChIKey=LGKANOVVJSORFA-UHFFFAOYSA-N130.8Ex 130.83(BP est) -55.68(MP est) ----(BP exp) ----(MP exp) BrCC=CC=C -55.7PredN
C(Br)(Cl)(F)7427147.371CHBrClFbromochlorofluoromethaneN54C(Br)(Cl)(F)InChI=1S/CHBrClF/c2-1(3)4/h1HInChIKey=YNKZSBSRKWVMEZ-UHFFFAOYSA-N36.2Ex 68.26(BP est) -85.31(MP est) 36.00(BP exp) -115.00(MP exp) C(Br)(Cl)(F) -115ExptN
O=CC(Cl)(Cl)Cl7428147.379C2HCl3O2,2,2-trichloroacetaldehydeN76O=CC(Cl)(Cl)ClInChI=1S/C2HCl3O/c3-2(4,5)1-6/h1HInChIKey=HFFLGKNGCAIQMO-UHFFFAOYSA-N97.4Ex 126.84(BP est) -33.14(MP est) 97.80(BP exp) -57.50(MP exp) O=CC(Cl)(Cl)Cl -57.5ExptY(Ballschmiter 2003)
ClC1C(Cl)(Cl)O17429147.379C2HCl3O2,2,3-trichlorooxiraneN76ClC1C(Cl)(Cl)O1InChI=1S/C2HCl3O/c3-1-2(4,5)6-1/h1HInChIKey=CMMXCVYESRODNH-UHFFFAOYSA-N118.3Ex 118.29(BP est) -25.76(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(Cl)O1 -25.8PredN
CCC(Cl)(Cl)Cl7430147.423C3H5Cl31,1,1-trichloropropaneN116CCC(Cl)(Cl)ClInChI=1S/C3H5Cl3/c1-2-3(4,5)6/h2H2,1H3InChIKey=AVGQTJUPLKNPQP-UHFFFAOYSA-N106.0Ex 90.47(BP est) -59.12(MP est) 108.00(BP exp) ----(MP exp) CCC(Cl)(Cl)Cl -59.1PredN
CC(C(Cl)Cl)Cl7431147.423C3H5Cl31,1,2-trichloropropaneN116CC(C(Cl)Cl)ClInChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3InChIKey=GRSQYISVQKPZCW-UHFFFAOYSA-N132.0Ex 124.33(BP est) -65.45(MP est) 132.00(BP exp) ----(MP exp) CC(C(Cl)Cl)Cl -65.5PredN
ClCCC(Cl)Cl7432147.423C3H5Cl31,1,3-trichloropropaneN116ClCCC(Cl)ClInChI=1S/C3H5Cl3/c4-2-1-3(5)6/h3H,1-2H2InChIKey=URWHLZCXYCQNSY-UHFFFAOYSA-N145.6Ex 150.25(BP est) -50.38(MP est) 145.50(BP exp) -59.00(MP exp) ClCCC(Cl)Cl -59ExptN
CC(Cl)(CCl)Cl7433147.423C3H5Cl31,2,2-trichloropropaneN116CC(Cl)(CCl)ClInChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3InChIKey=DAIIXVPKQATIMF-UHFFFAOYSA-N123.0Ex 116.51(BP est) -51.52(MP est) 124.00(BP exp) ----(MP exp) CC(Cl)(CCl)Cl -51.5PredN
ClCC(CCl)Cl7434147.423C3H5Cl31,2,3-trichloropropaneN116ClCC(CCl)ClInChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2InChIKey=CFXQEHVMCRXUSD-UHFFFAOYSA-N157.1Ex 162.16(BP est) -46.90(MP est) 157.00(BP exp) -14.70(MP exp) ClCC(CCl)Cl -14.7ExptN
BrC12C(N2)CC17437148.003C4H6BrN1-bromo-5-azabicyclo[2.1.0]pentaneN126BrC12C(N2)CC1InChI=1S/C4H6BrN/c5-4-2-1-3(4)6-4/h3,6H,1-2H2InChIKey=FGAOSYGZQLEDPJ-UHFFFAOYSA-N155.4Ex 155.41(BP est) 5.26(MP est) ----(BP exp) ----(MP exp) BrC12C(N2)CC1 5.3PredN
NC(CC#C)Br7438148.003C4H6BrN1-bromobut-3-yn-1-amineN126NC(CC#C)BrInChI=1S/C4H6BrN/c1-2-3-4(5)6/h1,4H,3,6H2InChIKey=AGHBSNYACBGTGY-UHFFFAOYSA-N156.9Ex 156.85(BP est) 7.32(MP est) ----(BP exp) ----(MP exp) NC(CC#C)Br 7.3PredN
NC(C#C)CBr7439148.003C4H6BrN1-bromobut-3-yn-2-amineN126NC(C#C)CBrInChI=1S/C4H6BrN/c1-2-4(6)3-5/h1,4H,3,6H2InChIKey=OKUAYWNYJRVVAP-UHFFFAOYSA-N156.9Ex 156.85(BP est) 7.32(MP est) ----(BP exp) ----(MP exp) NC(C#C)CBr 7.3PredN
NC1(CC=C1)Br7440148.003C4H6BrN1-bromocyclobut-2-en-1-amineN126NC1(CC=C1)BrInChI=1S/C4H6BrN/c5-4(6)2-1-3-4/h1-2H,3,6H2InChIKey=PWBGEGKQCMEFBS-UHFFFAOYSA-N159.4Ex 159.40(BP est) 11.62(MP est) ----(BP exp) ----(MP exp) NC1(CC=C1)Br 11.6PredN
CNC(C#C)Br7441148.003C4H6BrN1-bromo-N-methylprop-2-yn-1-amineN126CNC(C#C)BrInChI=1S/C4H6BrN/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=FGSXYJSEGQVTPD-UHFFFAOYSA-N139.5Ex 139.54(BP est) -13.04(MP est) ----(BP exp) ----(MP exp) CNC(C#C)Br -13PredN
BrC(C)C1=CN17442148.003C4H6BrN2-(1-bromoethyl)-1H-azirineN126BrC(C)C1=CN1InChI=1S/C4H6BrN/c1-3(5)4-2-6-4/h2-3,6H,1H3InChIKey=QJSCGCUTDSOESZ-UHFFFAOYSA-N159.4Ex 159.36(BP est) 13.18(MP est) ----(BP exp) ----(MP exp) BrC(C)C1=CN1 13.2PredN
BrC(C1CN1)=C7443148.003C4H6BrN2-(1-bromovinyl)aziridineN126BrC(C1CN1)=CInChI=1S/C4H6BrN/c1-3(5)4-2-6-4/h4,6H,1-2H2InChIKey=IXZBARUHGJEOJJ-UHFFFAOYSA-N157.6Ex 157.62(BP est) 3.55(MP est) ----(BP exp) ----(MP exp) BrC(C1CN1)=C 3.6PredN
BrCCC1=CN17444148.003C4H6BrN2-(2-bromoethyl)-1H-azirineN126BrCCC1=CN1InChI=1S/C4H6BrN/c5-2-1-4-3-6-4/h3,6H,1-2H2InChIKey=PLYBEONQUFVXCW-UHFFFAOYSA-N172.3Ex 172.27(BP est) 24.45(MP est) ----(BP exp) ----(MP exp) BrCCC1=CN1 24.5PredN
BrC=CC1CN17445148.003C4H6BrN2-(2-bromovinyl)aziridineN126BrC=CC1CN1InChI=1S/C4H6BrN/c5-2-1-4-3-6-4/h1-2,4,6H,3H2InChIKey=LVBLJQAHXOGFQS-UHFFFAOYSA-N171.7Ex 171.69(BP est) 12.98(MP est) ----(BP exp) ----(MP exp) BrC=CC1CN1 13PredN
CC(N1)=C1CBr7446148.003C4H6BrN2-(bromomethyl)-3-methyl-1H-azirineN126CC(N1)=C1CBrInChI=1S/C4H6BrN/c1-3-4(2-5)6-3/h6H,2H2,1H3InChIKey=LFTKVNCGUPUTGK-UHFFFAOYSA-N170.5Ex 170.45(BP est) 8.02(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1CBr 8PredN
BrC1C2(CC2)N17447148.003C4H6BrN2-bromo-1-azaspiro[2.2]pentaneN126BrC1C2(CC2)N1InChI=1S/C4H6BrN/c5-3-4(6-3)1-2-4/h3,6H,1-2H2InChIKey=FBYZWIRQXFAADW-UHFFFAOYSA-N155.4Ex 155.41(BP est) 5.26(MP est) ----(BP exp) ----(MP exp) BrC1C2(CC2)N1 5.3PredN
BrC1(C=C)CN17448148.003C4H6BrN2-bromo-2-vinylaziridineN126BrC1(C=C)CN1InChI=1S/C4H6BrN/c1-2-4(5)3-6-4/h2,6H,1,3H2InChIKey=COAKFPOJMQBFDO-UHFFFAOYSA-N152.1Ex 152.05(BP est) 20.86(MP est) ----(BP exp) ----(MP exp) BrC1(C=C)CN1 20.9PredN
BrC(N1)=C1CC7449148.003C4H6BrN2-bromo-3-ethyl-1H-azirineN126BrC(N1)=C1CCInChI=1S/C4H6BrN/c1-2-3-4(5)6-3/h6H,2H2,1H3InChIKey=QJUVXIMCUAMTLR-UHFFFAOYSA-N170.5Ex 170.45(BP est) 8.02(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1CC 8PredN
BrC1C(C=C)N17450148.003C4H6BrN2-bromo-3-vinylaziridineN126BrC1C(C=C)N1InChI=1S/C4H6BrN/c1-2-3-4(5)6-3/h2-4,6H,1H2InChIKey=HYCRFVXHQZQGSS-UHFFFAOYSA-N157.3Ex 157.26(BP est) 8.30(MP est) ----(BP exp) ----(MP exp) BrC1C(C=C)N1 8.3PredN
BrC1CC2C1N27451148.003C4H6BrN2-bromo-5-azabicyclo[2.1.0]pentaneN126BrC1CC2C1N2InChI=1S/C4H6BrN/c5-2-1-3-4(2)6-3/h2-4,6H,1H2InChIKey=XSGATZUFSZGYHX-UHFFFAOYSA-N160.6Ex 160.58(BP est) 20.89(MP est) ----(BP exp) ----(MP exp) BrC1CC2C1N2 20.9PredN
NCC(C#C)Br7452148.003C4H6BrN2-bromobut-3-yn-1-amineN126NCC(C#C)BrInChI=1S/C4H6BrN/c1-2-4(5)3-6/h1,4H,3,6H2InChIKey=UNROKUJVZRRJGO-UHFFFAOYSA-N156.9Ex 156.85(BP est) 7.32(MP est) ----(BP exp) ----(MP exp) NCC(C#C)Br 7.3PredN
NC(C)(C#C)Br7453148.003C4H6BrN2-bromobut-3-yn-2-amineN126NC(C)(C#C)BrInChI=1S/C4H6BrN/c1-3-4(2,5)6/h1H,6H2,2H3InChIKey=HXPSUPBRGQLULW-UHFFFAOYSA-N148.2Ex 148.15(BP est) 13.49(MP est) ----(BP exp) ----(MP exp) NC(C)(C#C)Br 13.5PredN
NC(C1)(C(Br)=C1)7454148.003C4H6BrN2-bromocyclobut-2-en-1-amineN126NC(C1)(C(Br)=C1)InChI=1S/C4H6BrN/c5-3-1-2-4(3)6/h1,4H,2,6H2InChIKey=DUXPRHILUFAXOH-UHFFFAOYSA-N168.9Ex 168.89(BP est) 8.70(MP est) ----(BP exp) ----(MP exp) NC(C1)(C(Br)=C1) 8.7PredN
NC(C1)(C=C1Br)7455148.003C4H6BrN3-bromocyclobut-2-en-1-amineN126NC(C1)(C=C1Br)InChI=1S/C4H6BrN/c5-3-1-4(6)2-3/h1,4H,2,6H2InChIKey=XBEMXERYBOCDIX-UHFFFAOYSA-N168.9Ex 168.89(BP est) 8.70(MP est) ----(BP exp) ----(MP exp) NC(C1)(C=C1Br) 8.7PredN
CNC(C#CBr)7456148.003C4H6BrN3-bromo-N-methylprop-2-yn-1-amineN126CNC(C#CBr)InChI=1S/C4H6BrN/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=UEQDZDHTFLVBIV-UHFFFAOYSA-N161.1Ex 161.06(BP est) 5.35(MP est) ----(BP exp) ----(MP exp) CNC(C#CBr) 5.4PredN
BrC1C2(C1)CN27457148.003C4H6BrN4-bromo-1-azaspiro[2.2]pentaneN126BrC1C2(C1)CN2InChI=1S/C4H6BrN/c5-3-1-4(3)2-6-4/h3,6H,1-2H2InChIKey=IUHWLRQLLTVWRL-UHFFFAOYSA-N155.4Ex 155.41(BP est) 5.26(MP est) ----(BP exp) ----(MP exp) BrC1C2(C1)CN2 5.3PredN
NC(CC#CBr)7458148.003C4H6BrN4-bromobut-3-yn-1-amineN126NC(CC#CBr)InChI=1S/C4H6BrN/c5-3-1-2-4-6/h2,4,6H2InChIKey=IWGIJIJTMCXEFN-UHFFFAOYSA-N177.7Ex 177.68(BP est) 20.27(MP est) ----(BP exp) ----(MP exp) NC(CC#CBr) 20.3PredN
NC(C)(C#CBr)7459148.003C4H6BrN4-bromobut-3-yn-2-amineN126NC(C)(C#CBr)InChI=1S/C4H6BrN/c1-4(6)2-3-5/h4H,6H2,1H3InChIKey=DNLQHLGKFWDODC-UHFFFAOYSA-N164.9Ex 164.92(BP est) 10.94(MP est) ----(BP exp) ----(MP exp) NC(C)(C#CBr) 10.9PredN
NC(C1Br)(C=C1)7460148.003C4H6BrN4-bromocyclobut-2-en-1-amineN126NC(C1Br)(C=C1)InChI=1S/C4H6BrN/c5-3-1-2-4(3)6/h1-4H,6H2InChIKey=NLZWLYNDYXFZGK-UHFFFAOYSA-N164.5Ex 164.53(BP est) -0.96(MP est) ----(BP exp) ----(MP exp) NC(C1Br)(C=C1) -1PredN
BrCNCC#C7461148.003C4H6BrNN-(bromomethyl)prop-2-yn-1-amineN126BrCNCC#CInChI=1S/C4H6BrN/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=CHGSHBUJWMLXDD-UHFFFAOYSA-N152.9Ex 152.93(BP est) -1.63(MP est) ----(BP exp) ----(MP exp) BrCNCC#C -1.6PredN
CNC(Cl)(Cl)Cl7475148.411C2H4Cl3N1,1,1-trichloro-N-methylmethanamineN106CNC(Cl)(Cl)ClInChI=1S/C2H4Cl3N/c1-6-2(3,4)5/h6H,1H3InChIKey=RXEFUJOSSARSPI-UHFFFAOYSA-N111.3Ex 111.33(BP est) -32.34(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(Cl)Cl -32.3PredN
NC(Cl)(CCl)Cl7476148.411C2H4Cl3N1,1,2-trichloroethan-1-amineN106NC(Cl)(CCl)ClInChI=1S/C2H4Cl3N/c3-1-2(4,5)6/h1,6H2InChIKey=WCFPHMXQGJXZQO-UHFFFAOYSA-N153.9Ex 153.92(BP est) -4.60(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CCl)Cl -4.6PredN
C(Cl)NC(Cl)(Cl)7477148.411C2H4Cl3N1,1-dichloro-N-(chloromethyl)methanamineN106C(Cl)NC(Cl)(Cl)InChI=1S/C2H4Cl3N/c3-1-6-2(4)5/h2,6H,1H2InChIKey=HBSYCPDWYXFMJS-UHFFFAOYSA-N169.1Ex 169.09(BP est) -24.19(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Cl)(Cl) -24.2PredN
NC(Cl)(C(Cl)Cl)7478148.411C2H4Cl3N1,2,2-trichloroethan-1-amineN106NC(Cl)(C(Cl)Cl)InChI=1S/C2H4Cl3N/c3-1(4)2(5)6/h1-2H,6H2InChIKey=GQEQECBPTWASSF-UHFFFAOYSA-N161.2Ex 161.23(BP est) -18.68(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Cl)Cl) -18.7PredN
NCC(Cl)(Cl)Cl7479148.411C2H4Cl3N2,2,2-trichloroethan-1-amineN106NCC(Cl)(Cl)ClInChI=1S/C2H4Cl3N/c3-2(4,5)1-6/h1,6H2InChIKey=FCLPGDSITYLYCH-UHFFFAOYSA-N129.5Ex 129.51(BP est) -11.73(MP est) ----(BP exp) ----(MP exp) NCC(Cl)(Cl)Cl -11.7PredN
O=PC(F)(Cl)Cl7483148.882CCl2FOP(dichlorofluoromethyl)(oxo)phosphaneN66O=PC(F)(Cl)ClInChI=1S/CCl2FOP/c2-1(3,4)6-5InChIKey=BXGVZFPRZRSLNB-UHFFFAOYSA-N115.1Ex 115.09(BP est) -44.69(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Cl)Cl -44.7PredN
O=P(C(Cl)Cl)O7484148.907CH3Cl2O2P(dichloromethyl)phosphinic acidN96O=P(C(Cl)Cl)OInChI=1S/CH3Cl2O2P/c2-1(3)6(4)5/h1,6H,(H,4,5)InChIKey=HNIUKPPQZMVBHX-UHFFFAOYSA-N235.4Ex 235.44(BP est) 3.67(MP est) ----(BP exp) ----(MP exp) O=P(C(Cl)Cl)O 3.7PredN
C(Br)(F)(F)(F)7486148.91CBrF3bromotrifluoromethaneN55C(Br)(F)(F)(F)InChI=1S/CBrF3/c2-1(3,4)5InChIKey=RJCQBQGAPKAMLL-UHFFFAOYSA-N-57.9Ex 7.02(BP est) -108.85(MP est) -57.80(BP exp) -172.00(MP exp) C(Br)(F)(F)(F) -172ExptN
PC(CF)(Cl)Cl7487148.926C2H4Cl2FP(1,1-dichloro-2-fluoroethyl)phosphaneN106PC(CF)(Cl)ClInChI=1S/C2H4Cl2FP/c3-2(4,6)1-5/h1,6H2InChIKey=CXIYEDQQOSHUJK-UHFFFAOYSA-N91.5Ex 91.51(BP est) -63.43(MP est) ----(BP exp) ----(MP exp) PC(CF)(Cl)Cl -63.4PredN
PC(CCl)(Cl)F7488148.926C2H4Cl2FP(1,2-dichloro-1-fluoroethyl)phosphaneN106PC(CCl)(Cl)FInChI=1S/C2H4Cl2FP/c3-1-2(4,5)6/h1,6H2InChIKey=YYLJTPTXWFREGW-UHFFFAOYSA-N117.5Ex 117.51(BP est) -55.84(MP est) ----(BP exp) ----(MP exp) PC(CCl)(Cl)F -55.8PredN
PC(Cl)C(Cl)F7489148.926C2H4Cl2FP(1,2-dichloro-2-fluoroethyl)phosphaneN106PC(Cl)C(Cl)FInChI=1S/C2H4Cl2FP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=GNEHSWJBRXANCG-UHFFFAOYSA-N112.6Ex 112.63(BP est) -73.48(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(Cl)F -73.5PredN
PC(F)C(Cl)Cl7490148.926C2H4Cl2FP(2,2-dichloro-1-fluoroethyl)phosphaneN106PC(F)C(Cl)ClInChI=1S/C2H4Cl2FP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=CDUKBMNSEFAMMZ-UHFFFAOYSA-N112.6Ex 112.63(BP est) -73.48(MP est) ----(BP exp) ----(MP exp) PC(F)C(Cl)Cl -73.5PredN
PCC(F)(Cl)Cl7491148.926C2H4Cl2FP(2,2-dichloro-2-fluoroethyl)phosphaneN106PCC(F)(Cl)ClInChI=1S/C2H4Cl2FP/c3-2(4,5)1-6/h1,6H2InChIKey=WAJJTSIEHJFHPO-UHFFFAOYSA-N91.5Ex 91.51(BP est) -63.43(MP est) ----(BP exp) ----(MP exp) PCC(F)(Cl)Cl -63.4PredN
ClCPC(Cl)F7492148.926C2H4Cl2FP(chlorofluoromethyl)(chloromethyl)phosphaneN106ClCPC(Cl)FInChI=1S/C2H4Cl2FP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=KIYIQGDNEAVCKH-UHFFFAOYSA-N119.4Ex 119.40(BP est) -72.19(MP est) ----(BP exp) ----(MP exp) ClCPC(Cl)F -72.2PredN
CPC(F)(Cl)Cl7493148.926C2H4Cl2FP(dichlorofluoromethyl)(methyl)phosphaneN106CPC(F)(Cl)ClInChI=1S/C2H4Cl2FP/c1-6-2(3,4)5/h6H,1H3InChIKey=UJHRCPXEZPKKRW-UHFFFAOYSA-N70.3Ex 70.26(BP est) -77.82(MP est) ----(BP exp) ----(MP exp) CPC(F)(Cl)Cl -77.8PredN
FCPC(Cl)Cl7494148.926C2H4Cl2FP(dichloromethyl)(fluoromethyl)phosphaneN106FCPC(Cl)ClInChI=1S/C2H4Cl2FP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=FFHGFCMIVWABPO-UHFFFAOYSA-N106.6Ex 106.56(BP est) -75.94(MP est) ----(BP exp) ----(MP exp) FCPC(Cl)Cl -75.9PredN
OC(=O)C#C(Br)7495148.943C3HBrO23-bromopropiolic acidN76OC(=O)C#C(Br)InChI=1S/C3HBrO2/c4-2-1-3(5)6/h(H,5,6)InChIKey=ZSHNFLCNZCPFAB-UHFFFAOYSA-N226.2Ex 226.23(BP est) 58.05(MP est) ----(BP exp) ----(MP exp) OC(=O)C#C(Br) 58.1PredN
C(Br)(F)=C(C#C)7496148.962C4H2BrF1-bromo-1-fluorobut-1-en-3-yneN86C(Br)(F)=C(C#C)InChI=1S/C4H2BrF/c1-2-3-4(5)6/h1,3HInChIKey=JNVPJMDBBJLKHR-UHFFFAOYSA-N113.5Ex 113.46(BP est) -48.71(MP est) ----(BP exp) ----(MP exp) C(Br)(F)=C(C#C) -48.7PredN
C(Br)=C(F)(C#C)7497148.962C4H2BrF1-bromo-2-fluorobut-1-en-3-yneN86C(Br)=C(F)(C#C)InChI=1S/C4H2BrF/c1-2-4(6)3-5/h1,3HInChIKey=DSTKJFGATHIWPG-UHFFFAOYSA-N113.5Ex 113.46(BP est) -48.71(MP est) ----(BP exp) ----(MP exp) C(Br)=C(F)(C#C) -48.7PredN
C(Br)=C(C#CF)7498148.962C4H2BrF1-bromo-4-fluorobut-1-en-3-yneN86C(Br)=C(C#CF)InChI=1S/C4H2BrF/c5-3-1-2-4-6/h1,3HInChIKey=GAOABACAZRZOPN-UHFFFAOYSA-N128.5Ex 128.47(BP est) -7.78(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C#CF) -7.8PredN
C(F)=C(Br)(C#C)7499148.962C4H2BrF2-bromo-1-fluorobut-1-en-3-yneN86C(F)=C(Br)(C#C)InChI=1S/C4H2BrF/c1-2-4(5)3-6/h1,3HInChIKey=MUBNVTBXQKHAJH-UHFFFAOYSA-N113.5Ex 113.46(BP est) -48.71(MP est) ----(BP exp) ----(MP exp) C(F)=C(Br)(C#C) -48.7PredN
C=C(Br)(C#CF)7500148.962C4H2BrF2-bromo-4-fluorobut-1-en-3-yneN86C=C(Br)(C#CF)InChI=1S/C4H2BrF/c1-4(5)2-3-6/h1H2InChIKey=ULNZAWBQRVIBBP-UHFFFAOYSA-N113.2Ex 113.24(BP est) -17.55(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C#CF) -17.6PredN
C(F)=C(C#CBr)7501148.962C4H2BrF4-bromo-1-fluorobut-1-en-3-yneN86C(F)=C(C#CBr)InChI=1S/C4H2BrF/c5-3-1-2-4-6/h2,4HInChIKey=BDPXWJAMJGJUPP-UHFFFAOYSA-N128.5Ex 128.47(BP est) -7.78(MP est) ----(BP exp) ----(MP exp) C(F)=C(C#CBr) -7.8PredN
C=C(F)(C#CBr)7502148.962C4H2BrF4-bromo-2-fluorobut-1-en-3-yneN86C=C(F)(C#CBr)InChI=1S/C4H2BrF/c1-4(6)2-3-5/h1H2InChIKey=NTXIZSVVDAEXEE-UHFFFAOYSA-N113.2Ex 113.24(BP est) -17.55(MP est) ----(BP exp) ----(MP exp) C=C(F)(C#CBr) -17.6PredN
CC#COCBr7504148.987C4H5BrO1-(bromomethoxy)prop-1-yneN116CC#COCBrInChI=1S/C4H5BrO/c1-2-3-6-4-5/h4H2,1H3InChIKey=RPBZBZBOFXJSQF-UHFFFAOYSA-N142.8Ex 142.80(BP est) 9.76(MP est) ----(BP exp) ----(MP exp) CC#COCBr 9.8PredN
C=COC(Br)=C7505148.987C4H5BrO1-bromo-1-(vinyloxy)etheneN116C=COC(Br)=CInChI=1S/C4H5BrO/c1-3-6-4(2)5/h3H,1-2H2InChIKey=XUASRFUZXOTODT-UHFFFAOYSA-N116.6Ex 116.57(BP est) -59.68(MP est) ----(BP exp) ----(MP exp) C=COC(Br)=C -59.7PredN
C=COC=CBr7506148.987C4H5BrO1-bromo-2-(vinyloxy)etheneN116C=COC=CBrInChI=1S/C4H5BrO/c1-2-6-4-3-5/h2-4H,1H2InChIKey=ZNXAUYYNMGXTLO-UHFFFAOYSA-N131.7Ex 131.72(BP est) -49.94(MP est) ----(BP exp) ----(MP exp) C=COC=CBr -49.9PredN
COCC#CBr7507148.987C4H5BrO1-bromo-3-methoxyprop-1-yneN116COCC#CBrInChI=1S/C4H5BrO/c1-6-4-2-3-5/h4H2,1H3InChIKey=ZOLAOFXSTXPBTL-UHFFFAOYSA-N142.8Ex 142.80(BP est) 9.76(MP est) ----(BP exp) ----(MP exp) COCC#CBr 9.8PredN
BrC12C(O2)CC17508148.987C4H5BrO1-bromo-5-oxabicyclo[2.1.0]pentaneN116BrC12C(O2)CC1InChI=1S/C4H5BrO/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=XZQCDRKLYIUBIH-UHFFFAOYSA-N125.3Ex 125.27(BP est) -14.58(MP est) ----(BP exp) ----(MP exp) BrC12C(O2)CC1 -14.6PredN
C=CC(CBr)=O7509148.987C4H5BrO1-bromobut-3-en-2-oneN116C=CC(CBr)=OInChI=1S/C4H5BrO/c1-2-4(6)3-5/h2H,1,3H2InChIKey=KMYUEVBVPJZOKD-UHFFFAOYSA-N145.4Ex 145.38(BP est) -29.56(MP est) ----(BP exp) ----(MP exp) C=CC(CBr)=O -29.6PredN
OC(Br)(CC#C)7510148.987C4H5BrO1-bromobut-3-yn-1-olN116OC(Br)(CC#C)InChI=1S/C4H5BrO/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=VDMSONCTZFBSNW-UHFFFAOYSA-N173.4Ex 173.36(BP est) 0.92(MP est) ----(BP exp) ----(MP exp) OC(Br)(CC#C) 0.9PredN
OC(CBr)(C#C)7511148.987C4H5BrO1-bromobut-3-yn-2-olN116OC(CBr)(C#C)InChI=1S/C4H5BrO/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=WXBSUMDBARCLRI-UHFFFAOYSA-N173.4Ex 173.36(BP est) 0.92(MP est) ----(BP exp) ----(MP exp) OC(CBr)(C#C) 0.9PredN
OC(Br)(C1)(C=C1)7512148.987C4H5BrO1-bromocyclobut-2-en-1-olN116OC(Br)(C1)(C=C1)InChI=1S/C4H5BrO/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=SYMRKGRQEQOJMB-UHFFFAOYSA-N165.9Ex 165.93(BP est) 2.30(MP est) ----(BP exp) ----(MP exp) OC(Br)(C1)(C=C1) 2.3PredN
O=CC1(CC1)Br7513148.987C4H5BrO1-bromocyclopropane-1-carbaldehydeN116O=CC1(CC1)BrInChI=1S/C4H5BrO/c5-4(3-6)1-2-4/h3H,1-2H2InChIKey=SAMQNBMASDNLRJ-UHFFFAOYSA-N152.0Ex 151.99(BP est) -9.80(MP est) ----(BP exp) ----(MP exp) O=CC1(CC1)Br -9.8PredN
BrC(C)C1=CO17514148.987C4H5BrO2-(1-bromoethyl)oxireneN116BrC(C)C1=CO1InChI=1S/C4H5BrO/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=FOXCNCIBYOYQLC-UHFFFAOYSA-N129.4Ex 129.44(BP est) -34.79(MP est) ----(BP exp) ----(MP exp) BrC(C)C1=CO1 -34.8PredN
BrC(C1CO1)=C7515148.987C4H5BrO2-(1-bromovinyl)oxiraneN116BrC(C1CO1)=CInChI=1S/C4H5BrO/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=WUIZGOGMNSTFKW-UHFFFAOYSA-N127.6Ex 127.61(BP est) -44.44(MP est) ----(BP exp) ----(MP exp) BrC(C1CO1)=C -44.4PredN
BrCCC1=CO17516148.987C4H5BrO2-(2-bromoethyl)oxireneN116BrCCC1=CO1InChI=1S/C4H5BrO/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=GXBOFBOFAPRAKH-UHFFFAOYSA-N143.1Ex 143.08(BP est) -23.30(MP est) ----(BP exp) ----(MP exp) BrCCC1=CO1 -23.3PredN
BrC=CC1CO17517148.987C4H5BrO2-(2-bromovinyl)oxiraneN116BrC=CC1CO1InChI=1S/C4H5BrO/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=IBHXOVMTMRXRNI-UHFFFAOYSA-N142.5Ex 142.47(BP est) -34.78(MP est) ----(BP exp) ----(MP exp) BrC=CC1CO1 -34.8PredN
CC(O1)=C1CBr7518148.987C4H5BrO2-(bromomethyl)-3-methyloxireneN116CC(O1)=C1CBrInChI=1S/C4H5BrO/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=MQHDSJPTGPUBID-UHFFFAOYSA-N141.2Ex 141.15(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1CBr -17.6PredN
O=CC(CBr)=C7519148.987C4H5BrO2-(bromomethyl)acrylaldehydeN116O=CC(CBr)=CInChI=1S/C4H5BrO/c1-4(2-5)3-6/h3H,1-2H2InChIKey=BOOSQYTYBAGMBQ-UHFFFAOYSA-N152.2Ex 152.21(BP est) -38.51(MP est) ----(BP exp) ----(MP exp) O=CC(CBr)=C -38.5PredN
BrC1C2(CC2)O17520148.987C4H5BrO2-bromo-1-oxaspiro[2.2]pentaneN116BrC1C2(CC2)O1InChI=1S/C4H5BrO/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=RMMZHJZDQFBBTD-UHFFFAOYSA-N125.3Ex 125.27(BP est) -14.58(MP est) ----(BP exp) ----(MP exp) BrC1C2(CC2)O1 -14.6PredN
BrC1(C=C)CO17521148.987C4H5BrO2-bromo-2-vinyloxiraneN116BrC1(C=C)CO1InChI=1S/C4H5BrO/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=VPFKWDAAVWASNU-UHFFFAOYSA-N121.7Ex 121.73(BP est) -27.23(MP est) ----(BP exp) ----(MP exp) BrC1(C=C)CO1 -27.2PredN
BrC(O1)=C1CC7522148.987C4H5BrO2-bromo-3-ethyloxireneN116BrC(O1)=C1CCInChI=1S/C4H5BrO/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=HYMFMKXWOZHIIU-UHFFFAOYSA-N141.2Ex 141.15(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1CC -17.6PredN
BrC1C(C=C)O17523148.987C4H5BrO2-bromo-3-vinyloxiraneN116BrC1C(C=C)O1InChI=1S/C4H5BrO/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=HGSXKSORDCKSOI-UHFFFAOYSA-N127.2Ex 127.22(BP est) -39.70(MP est) ----(BP exp) ----(MP exp) BrC1C(C=C)O1 -39.7PredN
BrC1CC2C1O27524148.987C4H5BrO2-bromo-5-oxabicyclo[2.1.0]pentaneN116BrC1CC2C1O2InChI=1S/C4H5BrO/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=VHEHPWAYCUXWSP-UHFFFAOYSA-N130.7Ex 130.73(BP est) -27.06(MP est) ----(BP exp) ----(MP exp) BrC1CC2C1O2 -27.1PredN
C(=O)C(Br)=C(C)7525148.987C4H5BrO2-bromobut-2-enalN116C(=O)C(Br)=C(C)InChI=1S/C4H5BrO/c1-2-4(5)3-6/h2-3H,1H3InChIKey=DOZLVLCBCZGSSH-UHFFFAOYSA-N160.6Ex 160.55(BP est) -37.74(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)=C(C) -37.7PredN
O=CC(C=C)Br7526148.987C4H5BrO2-bromobut-3-enalN116O=CC(C=C)BrInChI=1S/C4H5BrO/c1-2-4(5)3-6/h2-4H,1H2InChIKey=IYDAOCRUTQLKMM-UHFFFAOYSA-N144.9Ex 144.91(BP est) -41.16(MP est) ----(BP exp) ----(MP exp) O=CC(C=C)Br -41.2PredN
OC(C(Br)C#C)7527148.987C4H5BrO2-bromobut-3-yn-1-olN116OC(C(Br)C#C)InChI=1S/C4H5BrO/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=JUTCUFWIDAUJHM-UHFFFAOYSA-N180.1Ex 180.13(BP est) 2.89(MP est) ----(BP exp) ----(MP exp) OC(C(Br)C#C) 2.9PredN
OC(C)(C#C)Br7528148.987C4H5BrO2-bromobut-3-yn-2-olN116OC(C)(C#C)BrInChI=1S/C4H5BrO/c1-3-4(2,5)6/h1,6H,2H3InChIKey=WLGIWNKIGBUJTN-UHFFFAOYSA-N154.8Ex 154.81(BP est) 4.21(MP est) ----(BP exp) ----(MP exp) OC(C)(C#C)Br 4.2PredN
OC(C1)(C(Br)=C1)7529148.987C4H5BrO2-bromocyclobut-2-en-1-olN116OC(C1)(C(Br)=C1)InChI=1S/C4H5BrO/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=KHTWBLSZGZNJEA-UHFFFAOYSA-N185.0Ex 185.00(BP est) 2.18(MP est) ----(BP exp) ----(MP exp) OC(C1)(C(Br)=C1) 2.2PredN
O=CC1CC1Br7530148.987C4H5BrO2-bromocyclopropane-1-carbaldehydeN116O=CC1CC1BrInChI=1S/C4H5BrO/c5-4-1-3(4)2-6/h2-4H,1H2InChIKey=ZHWXEYGFAATRAC-UHFFFAOYSA-N157.2Ex 157.19(BP est) -22.35(MP est) ----(BP exp) ----(MP exp) O=CC1CC1Br -22.4PredN
BrCOCC#C7531148.987C4H5BrO3-(bromomethoxy)prop-1-yneN116BrCOCC#CInChI=1S/C4H5BrO/c1-2-3-6-4-5/h1H,3-4H2InChIKey=ODCOCLSHBMFMTR-UHFFFAOYSA-N134.4Ex 134.39(BP est) -22.26(MP est) ----(BP exp) ----(MP exp) BrCOCC#C -22.3PredN
BrCC#COC7532148.987C4H5BrO3-bromo-1-methoxyprop-1-yneN116BrCC#COCInChI=1S/C4H5BrO/c1-6-4-2-3-5/h3H2,1H3InChIKey=LKRLWRKTULDNGN-UHFFFAOYSA-N142.8Ex 142.80(BP est) 9.76(MP est) ----(BP exp) ----(MP exp) BrCC#COC 9.8PredN
C(=O)C(C)=C(Br)7533148.987C4H5BrO3-bromo-2-methylacrylaldehydeN116C(=O)C(C)=C(Br)InChI=1S/C4H5BrO/c1-4(2-5)3-6/h2-3H,1H3InChIKey=IVWXXBRAUIROFD-UHFFFAOYSA-N160.6Ex 160.55(BP est) -37.74(MP est) ----(BP exp) ----(MP exp) C(=O)C(C)=C(Br) -37.7PredN
COC(C#C)Br7534148.987C4H5BrO3-bromo-3-methoxyprop-1-yneN116COC(C#C)BrInChI=1S/C4H5BrO/c1-3-4(5)6-2/h1,4H,2H3InChIKey=GIKKIBZOAMQGKY-UHFFFAOYSA-N120.6Ex 120.55(BP est) -33.80(MP est) ----(BP exp) ----(MP exp) COC(C#C)Br -33.8PredN
C(=O)C=C(Br)(C)7535148.987C4H5BrO3-bromobut-2-enalN116C(=O)C=C(Br)(C)InChI=1S/C4H5BrO/c1-4(5)2-3-6/h2-3H,1H3InChIKey=YXUMKCALEMGCQT-UHFFFAOYSA-N160.6Ex 160.55(BP est) -37.74(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(Br)(C) -37.7PredN
C=C(C(C)=O)Br7536148.987C4H5BrO3-bromobut-3-en-2-oneN116C=C(C(C)=O)BrInChI=1S/C4H5BrO/c1-3(5)4(2)6/h1H2,2H3InChIKey=AGHIQBRPBAHPMV-UHFFFAOYSA-N139.3Ex 139.27(BP est) -38.33(MP est) ----(BP exp) ----(MP exp) C=C(C(C)=O)Br -38.3PredN
O=CCC(Br)=C7537148.987C4H5BrO3-bromobut-3-enalN116O=CCC(Br)=CInChI=1S/C4H5BrO/c1-4(5)2-3-6/h3H,1-2H2InChIKey=LVRMUZGRRQJJMW-UHFFFAOYSA-N152.2Ex 152.21(BP est) -38.51(MP est) ----(BP exp) ----(MP exp) O=CCC(Br)=C -38.5PredN
OC(C1)(C=C1Br)7538148.987C4H5BrO3-bromocyclobut-2-en-1-olN116OC(C1)(C=C1Br)InChI=1S/C4H5BrO/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=BYDQORJWWYZSDZ-UHFFFAOYSA-N185.0Ex 185.00(BP est) 2.18(MP est) ----(BP exp) ----(MP exp) OC(C1)(C=C1Br) 2.2PredN
BrC1C2(C1)CO27539148.987C4H5BrO4-bromo-1-oxaspiro[2.2]pentaneN116BrC1C2(C1)CO2InChI=1S/C4H5BrO/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=DKXUYOUDVFKXLU-UHFFFAOYSA-N125.3Ex 125.27(BP est) -14.58(MP est) ----(BP exp) ----(MP exp) BrC1C2(C1)CO2 -14.6PredN
C(=O)C=C(CBr)7540148.987C4H5BrO4-bromobut-2-enalN116C(=O)C=C(CBr)InChI=1S/C4H5BrO/c5-3-1-2-4-6/h1-2,4H,3H2InChIKey=JDTSGIGHGUYHME-UHFFFAOYSA-N166.4Ex 166.42(BP est) -29.04(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(CBr) -29PredN
BrC=CC(C)=O7541148.987C4H5BrO4-bromobut-3-en-2-oneN116BrC=CC(C)=OInChI=1S/C4H5BrO/c1-4(6)2-3-5/h2-3H,1H3InChIKey=XBSKICJLNOVIGA-UHFFFAOYSA-N153.8Ex 153.83(BP est) -28.76(MP est) ----(BP exp) ----(MP exp) BrC=CC(C)=O -28.8PredN
C(=O)C(C=CBr)7542148.987C4H5BrO4-bromobut-3-enalN116C(=O)C(C=CBr)InChI=1S/C4H5BrO/c5-3-1-2-4-6/h1,3-4H,2H2InChIKey=WRWNMOOOZNXOIW-UHFFFAOYSA-N166.4Ex 166.42(BP est) -29.04(MP est) ----(BP exp) ----(MP exp) C(=O)C(C=CBr) -29PredN
OC(CC#CBr)7543148.987C4H5BrO4-bromobut-3-yn-1-olN116OC(CC#CBr)InChI=1S/C4H5BrO/c5-3-1-2-4-6/h6H,2,4H2InChIKey=ZUKWNSZNXJADAY-UHFFFAOYSA-N200.0Ex 199.99(BP est) 24.43(MP est) ----(BP exp) ----(MP exp) OC(CC#CBr) 24.4PredN
OC(C)(C#CBr)7544148.987C4H5BrO4-bromobut-3-yn-2-olN116OC(C)(C#CBr)InChI=1S/C4H5BrO/c1-4(6)2-3-5/h4,6H,1H3InChIKey=FQNYXYOCVNKAQT-UHFFFAOYSA-N181.2Ex 181.16(BP est) 12.44(MP est) ----(BP exp) ----(MP exp) OC(C)(C#CBr) 12.4PredN
OC(C1Br)(C=C1)7545148.987C4H5BrO4-bromocyclobut-2-en-1-olN116OC(C1Br)(C=C1)InChI=1S/C4H5BrO/c5-3-1-2-4(3)6/h1-4,6HInChIKey=TUJIQAQKWQSJPM-UHFFFAOYSA-N180.8Ex 180.79(BP est) -7.43(MP est) ----(BP exp) ----(MP exp) OC(C1Br)(C=C1) -7.4PredN
NNC(Br)(C#C)7546148.991C3H5BrN2(1-bromoprop-2-yn-1-yl)hydrazineN116NNC(Br)(C#C)InChI=1S/C3H5BrN2/c1-2-3(4)6-5/h1,3,6H,5H2InChIKey=JNLPTCVTTMWZRF-UHFFFAOYSA-N175.5Ex 175.45(BP est) 11.11(MP est) ----(BP exp) ----(MP exp) NNC(Br)(C#C) 11.1PredN
NNC(C#CBr)7547148.991C3H5BrN2(3-bromoprop-2-yn-1-yl)hydrazineN116NNC(C#CBr)InChI=1S/C3H5BrN2/c4-2-1-3-6-5/h6H,3,5H2InChIKey=GWVVRJZXIPFLMJ-UHFFFAOYSA-N195.5Ex 195.51(BP est) 38.43(MP est) ----(BP exp) ----(MP exp) NNC(C#CBr) 38.4PredN
C(Cl)SC(Cl)(F)7548149.004C2H3Cl2FS(chlorofluoromethyl)(chloromethyl)sulfaneN96C(Cl)SC(Cl)(F)InChI=1S/C2H3Cl2FS/c3-1-6-2(4)5/h2H,1H2InChIKey=YJXCTTWENNUHRL-UHFFFAOYSA-N146.5Ex 146.53(BP est) -54.57(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Cl)(F) -54.6PredN
CSC(Cl)(Cl)(F)7549149.004C2H3Cl2FS(dichlorofluoromethyl)(methyl)sulfaneN96CSC(Cl)(Cl)(F)InChI=1S/C2H3Cl2FS/c1-6-2(3,4)5/h1H3InChIKey=MVNIBDSZIREUJC-UHFFFAOYSA-N99.6Ex 99.57(BP est) -59.57(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(Cl)(F) -59.6PredN
C(F)SC(Cl)(Cl)7550149.004C2H3Cl2FS(dichloromethyl)(fluoromethyl)sulfaneN96C(F)SC(Cl)(Cl)InChI=1S/C2H3Cl2FS/c3-2(4)6-1-5/h2H,1H2InChIKey=IIKNFEZEEQUCAM-UHFFFAOYSA-N134.3Ex 134.27(BP est) -58.15(MP est) ----(BP exp) ----(MP exp) C(F)SC(Cl)(Cl) -58.2PredN
SC(Cl)(Cl)(CF)7551149.004C2H3Cl2FS1,1-dichloro-2-fluoroethane-1-thiolN96SC(Cl)(Cl)(CF)InChI=1S/C2H3Cl2FS/c3-2(4,6)1-5/h6H,1H2InChIKey=SFKDOLJNGBXLCQ-UHFFFAOYSA-N113.8Ex 113.83(BP est) -54.37(MP est) ----(BP exp) ----(MP exp) SC(Cl)(Cl)(CF) -54.4PredN
SC(Cl)(F)(CCl)7552149.004C2H3Cl2FS1,2-dichloro-1-fluoroethane-1-thiolN96SC(Cl)(F)(CCl)InChI=1S/C2H3Cl2FS/c3-1-2(4,5)6/h6H,1H2InChIKey=HIBABEGWVJLDGL-UHFFFAOYSA-N138.9Ex 138.91(BP est) -47.05(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(CCl) -47.1PredN
SC(Cl)(C(Cl)F)7553149.004C2H3Cl2FS1,2-dichloro-2-fluoroethane-1-thiolN96SC(Cl)(C(Cl)F)InChI=1S/C2H3Cl2FS/c3-1(5)2(4)6/h1-2,6HInChIKey=CUCCMOBQDXBDHB-UHFFFAOYSA-N134.2Ex 134.20(BP est) -64.63(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(Cl)F) -64.6PredN
SC(F)(C(Cl)Cl)7554149.004C2H3Cl2FS2,2-dichloro-1-fluoroethane-1-thiolN96SC(F)(C(Cl)Cl)InChI=1S/C2H3Cl2FS/c3-1(4)2(5)6/h1-2,6HInChIKey=RLNBMSLYGCLWSD-UHFFFAOYSA-N134.2Ex 134.20(BP est) -64.63(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Cl)Cl) -64.6PredN
SC(C(Cl)(Cl)F)7555149.004C2H3Cl2FS2,2-dichloro-2-fluoroethane-1-thiolN96SC(C(Cl)(Cl)F)InChI=1S/C2H3Cl2FS/c3-2(4,5)1-6/h6H,1H2InChIKey=PJPNSXUCAJVRJY-UHFFFAOYSA-N113.8Ex 113.83(BP est) -54.37(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)(Cl)F) -54.4PredN
BrC(C)C1CC17557149.031C5H9Br(1-bromoethyl)cyclopropaneN156BrC(C)C1CC1InChI=1S/C5H9Br/c1-4(6)5-2-3-5/h4-5H,2-3H2,1H3InChIKey=PCBMBHKDBAIMHU-UHFFFAOYSA-N115.4Ex 115.42(BP est) -55.29(MP est) ----(BP exp) ----(MP exp) BrC(C)C1CC1 -55.3PredN
BrCCC1CC17558149.031C5H9Br(2-bromoethyl)cyclopropaneN156BrCCC1CC1InChI=1S/C5H9Br/c6-4-3-5-1-2-5/h5H,1-4H2InChIKey=RIYFONBSYWACFF-UHFFFAOYSA-N129.4Ex 129.39(BP est) -43.71(MP est) ----(BP exp) ----(MP exp) BrCCC1CC1 -43.7PredN
BrCC1CCC17559149.031C5H9Br(bromomethyl)cyclobutaneN156BrCC1CCC1InChI=1S/C5H9Br/c6-4-5-2-1-3-5/h5H,1-4H2InChIKey=FLHFTXCMKFVKRP-UHFFFAOYSA-N131.5Ex 131.48(BP est) -44.86(MP est) ----(BP exp) ----(MP exp) BrCC1CCC1 -44.9PredN
CC1(CC1)CBr7560149.031C5H9Br1-(bromomethyl)-1-methylcyclopropaneN156CC1(CC1)CBrInChI=1S/C5H9Br/c1-5(4-6)2-3-5/h2-4H2,1H3InChIKey=TVRZVAZKOTWIEC-UHFFFAOYSA-N117.2Ex 117.18(BP est) -35.33(MP est) ----(BP exp) ----(MP exp) CC1(CC1)CBr -35.3PredN
CC1CC1CBr7561149.031C5H9Br1-(bromomethyl)-2-methylcyclopropaneN156CC1CC1CBrInChI=1S/C5H9Br/c1-4-2-5(4)3-6/h4-5H,2-3H2,1H3InChIKey=XOXUXLDFDIJSPF-UHFFFAOYSA-N122.7Ex 122.71(BP est) -47.78(MP est) ----(BP exp) ----(MP exp) CC1CC1CBr -47.8PredN
CC1CC1(C)Br7562149.031C5H9Br1-bromo-1,2-dimethylcyclopropaneN156CC1CC1(C)BrInChI=1S/C5H9Br/c1-4-3-5(4,2)6/h4H,3H2,1-2H3InChIKey=WRGFDFLKYUEAQJ-UHFFFAOYSA-N110.4Ex 110.37(BP est) -39.43(MP est) ----(BP exp) ----(MP exp) CC1CC1(C)Br -39.4PredN
BrC1(CC)CC17563149.031C5H9Br1-bromo-1-ethylcyclopropaneN156BrC1(CC)CC1InChI=1S/C5H9Br/c1-2-5(6)3-4-5/h2-4H2,1H3InChIKey=FULQUSRQAVYSSE-UHFFFAOYSA-N117.2Ex 117.18(BP est) -35.33(MP est) ----(BP exp) ----(MP exp) BrC1(CC)CC1 -35.3PredN
BrC1(CCC1)C7564149.031C5H9Br1-bromo-1-methylcyclobutaneN156BrC1(CCC1)CInChI=1S/C5H9Br/c1-5(6)3-2-4-5/h2-4H2,1H3InChIKey=QSTWOFDDPACDDT-UHFFFAOYSA-N119.3Ex 119.32(BP est) -36.46(MP est) ----(BP exp) ----(MP exp) BrC1(CCC1)C -36.5PredN
BrC1C(C)C1C7565149.031C5H9Br1-bromo-2,3-dimethylcyclopropaneN156BrC1C(C)C1CInChI=1S/C5H9Br/c1-3-4(2)5(3)6/h3-5H,1-2H3InChIKey=ZJKDNNBVHLMMHF-UHFFFAOYSA-N116.0Ex 115.96(BP est) -51.87(MP est) ----(BP exp) ----(MP exp) BrC1C(C)C1C -51.9PredN
BrC1C(CC)C17566149.031C5H9Br1-bromo-2-ethylcyclopropaneN156BrC1C(CC)C1InChI=1S/C5H9Br/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=QMVYVPUWQIRCOJ-UHFFFAOYSA-N122.7Ex 122.71(BP est) -47.78(MP est) ----(BP exp) ----(MP exp) BrC1C(CC)C1 -47.8PredN
BrC=C(CC)C7567149.031C5H9Br1-bromo-2-methylbut-1-eneN156BrC=C(CC)CInChI=1S/C5H9Br/c1-3-5(2)4-6/h4H,3H2,1-2H3InChIKey=QWXOKLBTBADFAI-UHFFFAOYSA-N117.5Ex 126.29(BP est) -63.11(MP est) ----(BP exp) ----(MP exp) BrC=C(CC)C -63.1PredN
CC=C(CBr)C7568149.031C5H9Br1-bromo-2-methylbut-2-eneN156CC=C(CBr)CInChI=1S/C5H9Br/c1-3-5(2)4-6/h3H,4H2,1-2H3InChIKey=WZEXBDRUCFODAA-UHFFFAOYSA-N124.0Ex 126.29(BP est) -63.11(MP est) ----(BP exp) ----(MP exp) CC=C(CBr)C -63.1PredN
CC1CCC1Br7569149.031C5H9Br1-bromo-2-methylcyclobutaneN156CC1CCC1BrInChI=1S/C5H9Br/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=IXHHSYDNHZYFGE-UHFFFAOYSA-N124.8Ex 124.83(BP est) -48.92(MP est) ----(BP exp) ----(MP exp) CC1CCC1Br -48.9PredN
CC(C=CBr)C7570149.031C5H9Br1-bromo-3-methylbut-1-eneN156CC(C=CBr)CInChI=1S/C5H9Br/c1-5(2)3-4-6/h3-5H,1-2H3InChIKey=OZAGLZYGLSIUTG-UHFFFAOYSA-N105.5Ex 118.64(BP est) -65.86(MP est) ----(BP exp) ----(MP exp) CC(C=CBr)C -65.9PredN
BrCC=C(C)C7571149.031C5H9Br1-bromo-3-methylbut-2-eneN156BrCC=C(C)CInChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3InChIKey=LOYZVRIHVZEDMW-UHFFFAOYSA-N110.9Ex 126.29(BP est) -63.11(MP est) ----(BP exp) ----(MP exp) BrCC=C(C)C -63.1PredN
CC1CC(Br)C17572149.031C5H9Br1-bromo-3-methylcyclobutaneN156CC1CC(Br)C1InChI=1S/C5H9Br/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3InChIKey=DMOUTVAELOBPGU-UHFFFAOYSA-N124.8Ex 124.83(BP est) -48.92(MP est) ----(BP exp) ----(MP exp) CC1CC(Br)C1 -48.9PredN
CCCC=CBr7573149.031C5H9Br1-bromopent-1-eneN156CCCC=CBrInChI=1S/C5H9Br/c1-2-3-4-5-6/h4-5H,2-3H2,1H3InChIKey=WSXIDSNEEOYBFA-UHFFFAOYSA-N115.0Ex 132.53(BP est) -54.30(MP est) ----(BP exp) ----(MP exp) CCCC=CBr -54.3PredN
BrCC=CCC7574149.031C5H9Br1-bromopent-2-eneN156BrCC=CCCInChI=1S/C5H9Br/c1-2-3-4-5-6/h3-4H,2,5H2,1H3InChIKey=FTBPZRNURKMEFD-UHFFFAOYSA-N123.3Ex 132.53(BP est) -54.30(MP est) ----(BP exp) ----(MP exp) BrCC=CCC -54.3PredN
C=C(CC)CBr7575149.031C5H9Br2-(bromomethyl)but-1-eneN156C=C(CC)CBrInChI=1S/C5H9Br/c1-3-5(2)4-6/h2-4H2,1H3InChIKey=GGSSDTPXFJPNNS-UHFFFAOYSA-N103.4Ex 117.41(BP est) -64.04(MP est) ----(BP exp) ----(MP exp) C=C(CC)CBr -64PredN
CC1(CC1Br)C7576149.031C5H9Br2-bromo-1,1-dimethylcyclopropaneN156CC1(CC1Br)CInChI=1S/C5H9Br/c1-5(2)3-4(5)6/h4H,3H2,1-2H3InChIKey=JFZZKSOCMDLXPF-UHFFFAOYSA-N104.5Ex 110.37(BP est) -39.43(MP est) ----(BP exp) ----(MP exp) CC1(CC1Br)C -39.4PredN
CC(C(Br)=C)C7578149.031C5H9Br2-bromo-3-methylbut-1-eneN156CC(C(Br)=C)CInChI=1S/C5H9Br/c1-4(2)5(3)6/h4H,3H2,1-2H3InChIKey=URVWKTROBMKSAQ-UHFFFAOYSA-N100.8Ex 103.16(BP est) -75.70(MP est) ----(BP exp) ----(MP exp) CC(C(Br)=C)C -75.7PredN
BrC(C)=C(C)C7579149.031C5H9Br2-bromo-3-methylbut-2-eneN156BrC(C)=C(C)CInChI=1S/C5H9Br/c1-4(2)5(3)6/h1-3H3InChIKey=DBELOSOZLGEZBM-UHFFFAOYSA-N118.0Ex 119.97(BP est) -71.93(MP est) ----(BP exp) ----(MP exp) BrC(C)=C(C)C -71.9PredN
CCCC(Br)=C7580149.031C5H9Br2-bromopent-1-eneN156CCCC(Br)=CInChI=1S/C5H9Br/c1-3-4-5(2)6/h2-4H2,1H3InChIKey=KLSCAHRYGAYKJC-UHFFFAOYSA-N107.8Ex 117.41(BP est) -64.04(MP est) ----(BP exp) ----(MP exp) CCCC(Br)=C -64PredN
BrC(C)=CCC7581149.031C5H9Br2-bromopent-2-eneN156BrC(C)=CCCInChI=1S/C5H9Br/c1-3-4-5(2)6/h4H,3H2,1-2H3InChIKey=RWKAFOQZRPDXDT-UHFFFAOYSA-N112.0Ex 126.29(BP est) -63.11(MP est) ----(BP exp) ----(MP exp) BrC(C)=CCC -63.1PredN
C=C(C(C)Br)C7582149.031C5H9Br3-bromo-2-methylbut-1-eneN156C=C(C(C)Br)CInChI=1S/C5H9Br/c1-4(2)5(3)6/h5H,1H2,2-3H3InChIKey=HUWROFPLFCTNEQ-UHFFFAOYSA-N102.9Ex 103.16(BP est) -75.70(MP est) ----(BP exp) ----(MP exp) C=C(C(C)Br)C -75.7PredN
BrC(C)(C=C)C7583149.031C5H9Br3-bromo-3-methylbut-1-eneN156BrC(C)(C=C)CInChI=1S/C5H9Br/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=YDQUAHYQNTZSBU-UHFFFAOYSA-N100.3Ex 100.21(BP est) -60.87(MP est) ----(BP exp) ----(MP exp) BrC(C)(C=C)C -60.9PredN
CCC(C=C)Br7584149.031C5H9Br3-bromopent-1-eneN156CCC(C=C)BrInChI=1S/C5H9Br/c1-3-5(6)4-2/h3,5H,1,4H2,2H3InChIKey=MAUHKVNIHVSMSP-UHFFFAOYSA-N110.0Ex 109.65(BP est) -66.82(MP est) ----(BP exp) ----(MP exp) CCC(C=C)Br -66.8PredN
CC=C(CC)Br7585149.031C5H9Br3-bromopent-2-eneN156CC=C(CC)BrInChI=1S/C5H9Br/c1-3-5(6)4-2/h3H,4H2,1-2H3InChIKey=OPGVCEGMOFKBOL-UHFFFAOYSA-N110.0Ex 126.29(BP est) -63.11(MP est) ----(BP exp) ----(MP exp) CC=C(CC)Br -63.1PredN
C=C(CCBr)C7586149.031C5H9Br4-bromo-2-methylbut-1-eneN156C=C(CCBr)CInChI=1S/C5H9Br/c1-5(2)3-4-6/h1,3-4H2,2H3InChIKey=IZMWJUPSQXIVDN-UHFFFAOYSA-N107.2Ex 117.41(BP est) -64.04(MP est) ----(BP exp) ----(MP exp) C=C(CCBr)C -64PredN
CC(C=C)CBr7587149.031C5H9Br4-bromo-3-methylbut-1-eneN156CC(C=C)CBrInChI=1S/C5H9Br/c1-3-5(2)4-6/h3,5H,1,4H2,2H3InChIKey=IIRUREIGPQBHMF-UHFFFAOYSA-N103.1Ex 109.65(BP est) -66.82(MP est) ----(BP exp) ----(MP exp) CC(C=C)CBr -66.8PredN
BrC(CC=C)C7588149.031C5H9Br4-bromopent-1-eneN156BrC(CC=C)CInChI=1S/C5H9Br/c1-3-4-5(2)6/h3,5H,1,4H2,2H3InChIKey=PDBJRGFNXXAAMO-UHFFFAOYSA-N111.0Ex 109.65(BP est) -66.82(MP est) ----(BP exp) ----(MP exp) BrC(CC=C)C -66.8PredN
CC=CC(C)Br7589149.031C5H9Br4-bromopent-2-eneN156CC=CC(C)BrInChI=1S/C5H9Br/c1-3-4-5(2)6/h3-5H,1-2H3InChIKey=LIPODSDLKCMVON-UHFFFAOYSA-N116.5Ex 118.64(BP est) -65.86(MP est) ----(BP exp) ----(MP exp) CC=CC(C)Br -65.9PredN
BrCCCC=C7590149.031C5H9Br5-bromopent-1-eneN156BrCCCC=CInChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2InChIKey=LPNANKDXVBMDKE-UHFFFAOYSA-N126.9Ex 123.75(BP est) -55.21(MP est) 125.50(BP exp) ----(MP exp) BrCCCC=C -55.2PredN
CC=CCCBr7591149.031C5H9Br5-bromopent-2-eneN156CC=CCCBrInChI=1S/C5H9Br/c1-2-3-4-5-6/h2-3H,4-5H2,1H3InChIKey=NXUCEINLRQGOSH-UHFFFAOYSA-N123.1Ex 132.53(BP est) -54.30(MP est) ----(BP exp) ----(MP exp) CC=CCCBr -54.3PredN
BrC1CCCC17592149.031C5H9BrbromocyclopentaneN156BrC1CCCC1InChI=1S/C5H9Br/c6-5-3-1-2-4-5/h5H,1-4H2InChIKey=BRTFVKHPEHKBQF-UHFFFAOYSA-N137.3Ex 133.57(BP est) -46.01(MP est) 137.50(BP exp) ----(MP exp) BrC1CCCC1 -46PredN
C(Cl)(Cl)=C(Cl)(F)7598149.37C2Cl3F1,1,2-trichloro-2-fluoroetheneN66C(Cl)(Cl)=C(Cl)(F)InChI=1S/C2Cl3F/c3-1(4)2(5)6InChIKey=LFMIQNJMJJKICW-UHFFFAOYSA-N71.5Ex 80.47(BP est) -85.09(MP est) 71.00(BP exp) -108.90(MP exp) C(Cl)(Cl)=C(Cl)(F) -108.9ExptN
OC(Cl)(Cl)(CCl)7599149.395C2H3Cl3O1,1,2-trichloroethan-1-olN96OC(Cl)(Cl)(CCl)InChI=1S/C2H3Cl3O/c3-1-2(4,5)6/h6H,1H2InChIKey=HYCHPIPDVAXCCJ-UHFFFAOYSA-N150.0Ex 160.52(BP est) -13.90(MP est) ----(BP exp) ----(MP exp) OC(Cl)(Cl)(CCl) -13.9PredN
OC(Cl)(C(Cl)Cl)7600149.395C2H3Cl3O1,2,2-trichloroethan-1-olN96OC(Cl)(C(Cl)Cl)InChI=1S/C2H3Cl3O/c3-1(4)2(5)6/h1-2,6HInChIKey=NIBKDWIGIKUFKL-UHFFFAOYSA-N177.6Ex 177.60(BP est) -25.12(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(Cl)Cl) -25.1PredN
OCC(Cl)(Cl)Cl7601149.395C2H3Cl3O2,2,2-trichloroethan-1-olN96OCC(Cl)(Cl)ClInChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2InChIKey=KPWDGTGXUYRARH-UHFFFAOYSA-N151.3Ex 153.99(BP est) -15.80(MP est) 152.00(BP exp) 19.00(MP exp) OCC(Cl)(Cl)Cl 19ExptN
ClCOC(Cl)Cl7602149.395C2H3Cl3Odichloro(chloromethoxy)methaneN96ClCOC(Cl)ClInChI=1S/C2H3Cl3O/c3-1-6-2(4)5/h2H,1H2InChIKey=MCXRKNYHEMVMIT-UHFFFAOYSA-N129.5Ex 151.11(BP est) -44.65(MP est) ----(BP exp) ----(MP exp) ClCOC(Cl)Cl -44.7PredN
COC(Cl)(Cl)Cl7603149.395C2H3Cl3Otrichloro(methoxy)methaneN96COC(Cl)(Cl)ClInChI=1S/C2H3Cl3O/c1-6-2(3,4)5/h1H3InChIKey=RDCHUGMRDPFLDI-UHFFFAOYSA-N109.8Ex 91.42(BP est) -53.37(MP est) ----(BP exp) ----(MP exp) COC(Cl)(Cl)Cl -53.4PredN
NNC(Cl)(Cl)Cl7604149.399CH3Cl3N2(trichloromethyl)hydrazineN96NNC(Cl)(Cl)ClInChI=1S/CH3Cl3N2/c2-1(3,4)6-5/h6H,5H2InChIKey=YDJYMOXHELOFST-UHFFFAOYSA-N149.1Ex 149.07(BP est) 14.67(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(Cl)Cl 14.7PredN
BrC1N(O)C=C17615149.975C3H4BrNO2-bromoazet-1(2H)-olN106BrC1N(O)C=C1InChI=1S/C3H4BrNO/c4-3-1-2-5(3)6/h1-3,6HInChIKey=ZQDNBUAIMYJRQY-UHFFFAOYSA-N265.0Ex 264.98(BP est) 54.71(MP est) ----(BP exp) ----(MP exp) BrC1N(O)C=C1 54.7PredN
BrC1NOC=C17616149.975C3H4BrNO3-bromo-2,3-dihydroisoxazoleN106BrC1NOC=C1InChI=1S/C3H4BrNO/c4-3-1-2-6-5-3/h1-3,5HInChIKey=IXVOXKMDGSJFIB-UHFFFAOYSA-N177.5Ex 177.51(BP est) 21.73(MP est) ----(BP exp) ----(MP exp) BrC1NOC=C1 21.7PredN
BrC1=CCON17617149.975C3H4BrNO3-bromo-2,5-dihydroisoxazoleN106BrC1=CCON1InChI=1S/C3H4BrNO/c4-3-1-2-6-5-3/h1,5H,2H2InChIKey=JKYKNHNBZWMOAQ-UHFFFAOYSA-N181.8Ex 181.75(BP est) 18.39(MP est) ----(BP exp) ----(MP exp) BrC1=CCON1 18.4PredN
BrC1=CN(O)C17618149.975C3H4BrNO3-bromoazet-1(2H)-olN106BrC1=CN(O)C1InChI=1S/C3H4BrNO/c4-3-1-5(6)2-3/h1,6H,2H2InChIKey=IFYRKFJUQODVMD-UHFFFAOYSA-N268.4Ex 268.37(BP est) 57.07(MP est) ----(BP exp) ----(MP exp) BrC1=CN(O)C1 57.1PredN
BrC1CNC1=O7619149.975C3H4BrNO3-bromoazetidin-2-oneN106BrC1CNC1=OInChI=1S/C3H4BrNO/c4-2-1-5-3(2)6/h2H,1H2,(H,5,6)InChIKey=QFZNKRMZFNZQPL-UHFFFAOYSA-N268.7Ex 268.66(BP est) 72.51(MP est) ----(BP exp) ----(MP exp) BrC1CNC1=O 72.5PredN
BrC1=CONC17620149.975C3H4BrNO4-bromo-2,3-dihydroisoxazoleN106BrC1=CONC1InChI=1S/C3H4BrNO/c4-3-1-5-6-2-3/h2,5H,1H2InChIKey=BPYHVRGZNSFEQQ-UHFFFAOYSA-N181.8Ex 181.75(BP est) 18.39(MP est) ----(BP exp) ----(MP exp) BrC1=CONC1 18.4PredN
BrC1=CNOC17621149.975C3H4BrNO4-bromo-2,5-dihydroisoxazoleN106BrC1=CNOC1InChI=1S/C3H4BrNO/c4-3-1-5-6-2-3/h1,5H,2H2InChIKey=WBFGZVVMYWYAAY-UHFFFAOYSA-N181.8Ex 181.75(BP est) 18.39(MP est) ----(BP exp) ----(MP exp) BrC1=CNOC1 18.4PredN
BrC1=CCN1O7622149.975C3H4BrNO4-bromoazet-1(2H)-olN106BrC1=CCN1OInChI=1S/C3H4BrNO/c4-3-1-2-5(3)6/h1,6H,2H2InChIKey=VUKDKPFUKGZXHG-UHFFFAOYSA-N268.4Ex 268.37(BP est) 57.07(MP est) ----(BP exp) ----(MP exp) BrC1=CCN1O 57.1PredN
O=C1CC(Br)N17623149.975C3H4BrNO4-bromoazetidin-2-oneN106O=C1CC(Br)N1InChI=1S/C3H4BrNO/c4-2-1-3(6)5-2/h2H,1H2,(H,5,6)InChIKey=VLLMCMUMDBZAJA-UHFFFAOYSA-N268.7Ex 268.66(BP est) 72.51(MP est) ----(BP exp) ----(MP exp) O=C1CC(Br)N1 72.5PredN
BrC1=CCNO17624149.975C3H4BrNO5-bromo-2,3-dihydroisoxazoleN106BrC1=CCNO1InChI=1S/C3H4BrNO/c4-3-1-2-5-6-3/h1,5H,2H2InChIKey=DQSKJCSKPQZDCG-UHFFFAOYSA-N181.8Ex 181.75(BP est) 18.39(MP est) ----(BP exp) ----(MP exp) BrC1=CCNO1 18.4PredN
BrC1C=CNO17625149.975C3H4BrNO5-bromo-2,5-dihydroisoxazoleN106BrC1C=CNO1InChI=1S/C3H4BrNO/c4-3-1-2-5-6-3/h1-3,5HInChIKey=DTIWOGRAUWGLOE-UHFFFAOYSA-N177.5Ex 177.51(BP est) 21.73(MP est) ----(BP exp) ----(MP exp) BrC1C=CNO1 21.7PredN
BrC(C#C)NO7626149.975C3H4BrNON-(1-bromoprop-2-yn-1-yl)hydroxylamineN106BrC(C#C)NOInChI=1S/C3H4BrNO/c1-2-3(4)5-6/h1,3,5-6HInChIKey=UBXPOQVADHOUHF-UHFFFAOYSA-N212.3Ex 212.33(BP est) 25.43(MP est) ----(BP exp) ----(MP exp) BrC(C#C)NO 25.4PredN
NOC(C#C)Br7631149.975C3H4BrNOO-(1-bromoprop-2-yn-1-yl)hydroxylamineN106NOC(C#C)BrInChI=1S/C3H4BrNO/c1-2-3(4)6-5/h1,3H,5H2InChIKey=VCGRQWNMFRCNIW-UHFFFAOYSA-N157.7Ex 157.70(BP est) 13.04(MP est) ----(BP exp) ----(MP exp) NOC(C#C)Br 13PredN
NOCC#CBr7632149.975C3H4BrNOO-(3-bromoprop-2-yn-1-yl)hydroxylamineN106NOCC#CBrInChI=1S/C3H4BrNO/c4-2-1-3-6-5/h3,5H2InChIKey=CQCZFKIYYVVLLM-UHFFFAOYSA-N178.5Ex 178.49(BP est) 23.37(MP est) ----(BP exp) ----(MP exp) NOCC#CBr 23.4PredN
NCC1(CC1)Br7635150.019C4H8BrN(1-bromocyclopropyl)methanamineN146NCC1(CC1)BrInChI=1S/C4H8BrN/c5-4(3-6)1-2-4/h1-3,6H2InChIKey=GVHUQXUEDCFNFO-UHFFFAOYSA-N154.5Ex 154.54(BP est) 11.58(MP est) ----(BP exp) ----(MP exp) NCC1(CC1)Br 11.6PredN
NCC1CC1Br7636150.019C4H8BrN(2-bromocyclopropyl)methanamineN146NCC1CC1BrInChI=1S/C4H8BrN/c5-4-1-3(4)2-6/h3-4H,1-2,6H2InChIKey=WAARGNVEECHAMC-UHFFFAOYSA-N159.7Ex 159.72(BP est) -0.98(MP est) ----(BP exp) ----(MP exp) NCC1CC1Br -1PredN
NC1(CC1)CBr7637150.019C4H8BrN1-(bromomethyl)cyclopropan-1-amineN146NC1(CC1)CBrInChI=1S/C4H8BrN/c5-3-4(6)1-2-4/h1-3,6H2InChIKey=FVYDGKPHYFGPRO-UHFFFAOYSA-N154.5Ex 154.54(BP est) 11.58(MP est) ----(BP exp) ----(MP exp) NC1(CC1)CBr 11.6PredN
NC(CC=C)Br7638150.019C4H8BrN1-bromobut-3-en-1-amineN146NC(CC=C)BrInChI=1S/C4H8BrN/c1-2-3-4(5)6/h2,4H,1,3,6H2InChIKey=LNNIUQMKXODNKT-UHFFFAOYSA-N147.5Ex 147.50(BP est) -19.78(MP est) ----(BP exp) ----(MP exp) NC(CC=C)Br -19.8PredN
NC(C=C)CBr7639150.019C4H8BrN1-bromobut-3-en-2-amineN146NC(C=C)CBrInChI=1S/C4H8BrN/c1-2-4(6)3-5/h2,4H,1,3,6H2InChIKey=VSJCLVGHORWYLV-UHFFFAOYSA-N147.5Ex 147.50(BP est) -19.78(MP est) ----(BP exp) ----(MP exp) NC(C=C)CBr -19.8PredN
NC1(CCC1)Br7640150.019C4H8BrN1-bromocyclobutan-1-amineN146NC1(CCC1)BrInChI=1S/C4H8BrN/c5-4(6)2-1-3-4/h1-3,6H2InChIKey=WKYFIEHDGWQRRB-UHFFFAOYSA-N156.6Ex 156.55(BP est) 10.40(MP est) ----(BP exp) ----(MP exp) NC1(CCC1)Br 10.4PredN
CNC1(CC1)Br7641150.019C4H8BrN1-bromo-N-methylcyclopropan-1-amineN146CNC1(CC1)BrInChI=1S/C4H8BrN/c1-6-4(5)2-3-4/h6H,2-3H2,1H3InChIKey=HAELGCQUOVJEIZ-UHFFFAOYSA-N137.2Ex 137.16(BP est) -8.80(MP est) ----(BP exp) ----(MP exp) CNC1(CC1)Br -8.8PredN
CNC(C=C)Br7642150.019C4H8BrN1-bromo-N-methylprop-2-en-1-amineN146CNC(C=C)BrInChI=1S/C4H8BrN/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=MJYIDCJUXHYROV-UHFFFAOYSA-N129.9Ex 129.89(BP est) -40.22(MP est) ----(BP exp) ----(MP exp) CNC(C=C)Br -40.2PredN
BrC(C)C1CN17643150.019C4H8BrN2-(1-bromoethyl)aziridineN146BrC(C)C1CN1InChI=1S/C4H8BrN/c1-3(5)4-2-6-4/h3-4,6H,2H2,1H3InChIKey=PUSCFAVKYAGELE-UHFFFAOYSA-N152.0Ex 152.04(BP est) 2.28(MP est) ----(BP exp) ----(MP exp) BrC(C)C1CN1 2.3PredN
BrCCC1CN17644150.019C4H8BrN2-(2-bromoethyl)aziridineN146BrCCC1CN1InChI=1S/C4H8BrN/c5-2-1-4-3-6-4/h4,6H,1-3H2InChIKey=JODWDFRECSUIHJ-UHFFFAOYSA-N165.1Ex 165.13(BP est) 13.60(MP est) ----(BP exp) ----(MP exp) BrCCC1CN1 13.6PredN
CC1(CBr)CN17645150.019C4H8BrN2-(bromomethyl)-2-methylaziridineN146CC1(CBr)CN1InChI=1S/C4H8BrN/c1-4(2-5)3-6-4/h6H,2-3H2,1H3InChIKey=YQBFPKGFINMYNI-UHFFFAOYSA-N153.7Ex 153.69(BP est) 22.22(MP est) ----(BP exp) ----(MP exp) CC1(CBr)CN1 22.2PredN
CC1C(CBr)N17646150.019C4H8BrN2-(bromomethyl)-3-methylaziridineN146CC1C(CBr)N1InChI=1S/C4H8BrN/c1-3-4(2-5)6-3/h3-4,6H,2H2,1H3InChIKey=CVADONCZVXTSOM-UHFFFAOYSA-N158.9Ex 158.88(BP est) 9.66(MP est) ----(BP exp) ----(MP exp) CC1C(CBr)N1 9.7PredN
BrCC1NCC17647150.019C4H8BrN2-(bromomethyl)azetidineN146BrCC1NCC1InChI=1S/C4H8BrN/c5-3-4-1-2-6-4/h4,6H,1-3H2InChIKey=VWDJEJGQVMRPSB-UHFFFAOYSA-N167.1Ex 167.09(BP est) 12.42(MP est) ----(BP exp) ----(MP exp) BrCC1NCC1 12.4PredN
NC1(CC1Br)C7648150.019C4H8BrN2-bromo-1-methylcyclopropan-1-amineN146NC1(CC1Br)CInChI=1S/C4H8BrN/c1-4(6)2-3(4)5/h3H,2,6H2,1H3InChIKey=VUWAYCQBTSJTLE-UHFFFAOYSA-N148.2Ex 148.16(BP est) 7.60(MP est) ----(BP exp) ----(MP exp) NC1(CC1Br)C 7.6PredN
CC1C(Br)(C)N17649150.019C4H8BrN2-bromo-2,3-dimethylaziridineN146CC1C(Br)(C)N1InChI=1S/C4H8BrN/c1-3-4(2,5)6-3/h3,6H,1-2H3InChIKey=LSHSMXKDLXVUSP-UHFFFAOYSA-N147.3Ex 147.30(BP est) 18.23(MP est) ----(BP exp) ----(MP exp) CC1C(Br)(C)N1 18.2PredN
BrC1(CC)CN17650150.019C4H8BrN2-bromo-2-ethylaziridineN146BrC1(CC)CN1InChI=1S/C4H8BrN/c1-2-4(5)3-6-4/h6H,2-3H2,1H3InChIKey=NEMVPRJFAZELSJ-UHFFFAOYSA-N153.7Ex 153.69(BP est) 22.22(MP est) ----(BP exp) ----(MP exp) BrC1(CC)CN1 22.2PredN
BrC1(C)NCC17651150.019C4H8BrN2-bromo-2-methylazetidineN146BrC1(C)NCC1InChI=1S/C4H8BrN/c1-4(5)2-3-6-4/h6H,2-3H2,1H3InChIKey=UQRHAZXCIBQLJW-UHFFFAOYSA-N155.7Ex 155.70(BP est) 21.04(MP est) ----(BP exp) ----(MP exp) BrC1(C)NCC1 21PredN
BrC1C(CC)N17652150.019C4H8BrN2-bromo-3-ethylaziridineN146BrC1C(CC)N1InChI=1S/C4H8BrN/c1-2-3-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=XETFVLBMPCJHDY-UHFFFAOYSA-N158.9Ex 158.88(BP est) 9.66(MP est) ----(BP exp) ----(MP exp) BrC1C(CC)N1 9.7PredN
BrC1NCC1C7653150.019C4H8BrN2-bromo-3-methylazetidineN146BrC1NCC1CInChI=1S/C4H8BrN/c1-3-2-6-4(3)5/h3-4,6H,2H2,1H3InChIKey=CTVMYJIPOBPACF-UHFFFAOYSA-N160.9Ex 160.86(BP est) 8.48(MP est) ----(BP exp) ----(MP exp) BrC1NCC1C 8.5PredN
BrC1CC(C)N17654150.019C4H8BrN2-bromo-4-methylazetidineN146BrC1CC(C)N1InChI=1S/C4H8BrN/c1-3-2-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=KZYYZMIGOPIORZ-UHFFFAOYSA-N160.9Ex 160.86(BP est) 8.48(MP est) ----(BP exp) ----(MP exp) BrC1CC(C)N1 8.5PredN
NCC(C=C)Br7655150.019C4H8BrN2-bromobut-3-en-1-amineN146NCC(C=C)BrInChI=1S/C4H8BrN/c1-2-4(5)3-6/h2,4H,1,3,6H2InChIKey=HUDIJJPDASGJAA-UHFFFAOYSA-N147.5Ex 147.50(BP est) -19.78(MP est) ----(BP exp) ----(MP exp) NCC(C=C)Br -19.8PredN
NC(C)(C=C)Br7656150.019C4H8BrN2-bromobut-3-en-2-amineN146NC(C)(C=C)BrInChI=1S/C4H8BrN/c1-3-4(2,5)6/h3H,1,6H2,2H3InChIKey=WOOYZSQWNXVPMP-UHFFFAOYSA-N138.6Ex 138.64(BP est) -13.66(MP est) ----(BP exp) ----(MP exp) NC(C)(C=C)Br -13.7PredN
NC(C1)(C(Br)C1)7657150.019C4H8BrN2-bromocyclobutan-1-amineN146NC(C1)(C(Br)C1)InChI=1S/C4H8BrN/c5-3-1-2-4(3)6/h3-4H,1-2,6H2InChIKey=PQNMYPLGWDLXPB-UHFFFAOYSA-N161.7Ex 161.70(BP est) -2.16(MP est) ----(BP exp) ----(MP exp) NC(C1)(C(Br)C1) -2.2PredN
CNC1CC1Br7658150.019C4H8BrN2-bromo-N-methylcyclopropan-1-amineN146CNC1CC1BrInChI=1S/C4H8BrN/c1-6-4-2-3(4)5/h3-4,6H,2H2,1H3InChIKey=PQMZRTAUGGAVOQ-UHFFFAOYSA-N142.5Ex 142.50(BP est) -21.31(MP est) ----(BP exp) ----(MP exp) CNC1CC1Br -21.3PredN
CNCC(Br)=C7659150.019C4H8BrN2-bromo-N-methylprop-2-en-1-amineN146CNCC(Br)=CInChI=1S/C4H8BrN/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=LQXDRLIBEBGREQ-UHFFFAOYSA-N137.4Ex 137.38(BP est) -37.51(MP est) ----(BP exp) ----(MP exp) CNCC(Br)=C -37.5PredN
C(C1)NC(Br)(C1)7660150.019C4H8BrN2-bromopyrrolidineN146C(C1)NC(Br)(C1)InChI=1S/C4H8BrN/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=OQOHAYDTAXDXLE-UHFFFAOYSA-N169.1Ex 169.05(BP est) 11.23(MP est) ----(BP exp) ----(MP exp) C(C1)NC(Br)(C1) 11.2PredN
BrCC1CNC17661150.019C4H8BrN3-(bromomethyl)azetidineN146BrCC1CNC1InChI=1S/C4H8BrN/c5-1-4-2-6-3-4/h4,6H,1-3H2InChIKey=POMYMSFZHJXPTM-UHFFFAOYSA-N167.1Ex 167.09(BP est) 12.42(MP est) ----(BP exp) ----(MP exp) BrCC1CNC1 12.4PredN
BrC1C(C)(C)N17662150.019C4H8BrN3-bromo-2,2-dimethylaziridineN146BrC1C(C)(C)N1InChI=1S/C4H8BrN/c1-4(2)3(5)6-4/h3,6H,1-2H3InChIKey=YQGKSRAARUWHIY-UHFFFAOYSA-N147.3Ex 147.30(BP est) 18.23(MP est) ----(BP exp) ----(MP exp) BrC1C(C)(C)N1 18.2PredN
CC1NCC1Br7663150.019C4H8BrN3-bromo-2-methylazetidineN146CC1NCC1BrInChI=1S/C4H8BrN/c1-3-4(5)2-6-3/h3-4,6H,2H2,1H3InChIKey=OGWKUBWJEBQOEO-UHFFFAOYSA-N160.9Ex 160.86(BP est) 8.48(MP est) ----(BP exp) ----(MP exp) CC1NCC1Br 8.5PredN
BrC1(C)CNC17664150.019C4H8BrN3-bromo-3-methylazetidineN146BrC1(C)CNC1InChI=1S/C4H8BrN/c1-4(5)2-6-3-4/h6H,2-3H2,1H3InChIKey=IDRVLCVIWDHLDQ-UHFFFAOYSA-N155.7Ex 155.70(BP est) 21.04(MP est) ----(BP exp) ----(MP exp) BrC1(C)CNC1 21PredN
NCCC(Br)=C7665150.019C4H8BrN3-bromobut-3-en-1-amineN146NCCC(Br)=CInChI=1S/C4H8BrN/c1-4(5)2-3-6/h1-3,6H2InChIKey=VYIAHFOPHXLZRE-UHFFFAOYSA-N154.8Ex 154.76(BP est) -17.14(MP est) ----(BP exp) ----(MP exp) NCCC(Br)=C -17.1PredN
NC(C(Br)=C)C7666150.019C4H8BrN3-bromobut-3-en-2-amineN146NC(C(Br)=C)CInChI=1S/C4H8BrN/c1-3(5)4(2)6/h4H,1,6H2,2H3InChIKey=XITUMHPYXJKFSD-UHFFFAOYSA-N141.4Ex 141.41(BP est) -28.54(MP est) ----(BP exp) ----(MP exp) NC(C(Br)=C)C -28.5PredN
NC(C1)(CC1Br)7667150.019C4H8BrN3-bromocyclobutan-1-amineN146NC(C1)(CC1Br)InChI=1S/C4H8BrN/c5-3-1-4(6)2-3/h3-4H,1-2,6H2InChIKey=KWUZBHHZXACQBA-UHFFFAOYSA-N161.7Ex 161.70(BP est) -2.16(MP est) ----(BP exp) ----(MP exp) NC(C1)(CC1Br) -2.2PredN
CNCC=CBr7668150.019C4H8BrN3-bromo-N-methylprop-2-en-1-amineN146CNCC=CBrInChI=1S/C4H8BrN/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=JAROLBXYIJDQPB-UHFFFAOYSA-N152.0Ex 151.99(BP est) -27.93(MP est) ----(BP exp) ----(MP exp) CNCC=CBr -27.9PredN
C(C1)NC(C1Br)7669150.019C4H8BrN3-bromopyrrolidineN146C(C1)NC(C1Br)InChI=1S/C4H8BrN/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=UKYCQJXBNJJMDX-UHFFFAOYSA-N169.1Ex 169.05(BP est) 11.23(MP est) ----(BP exp) ----(MP exp) C(C1)NC(C1Br) 11.2PredN
NC(CC=CBr)7670150.019C4H8BrN4-bromobut-3-en-1-amineN146NC(CC=CBr)InChI=1S/C4H8BrN/c5-3-1-2-4-6/h1,3H,2,4,6H2InChIKey=LCTZEIZULBLKJN-UHFFFAOYSA-N168.9Ex 168.90(BP est) -7.69(MP est) ----(BP exp) ----(MP exp) NC(CC=CBr) -7.7PredN
NC(C=CBr)C7671150.019C4H8BrN4-bromobut-3-en-2-amineN146NC(C=CBr)CInChI=1S/C4H8BrN/c1-4(6)2-3-5/h2-4H,6H2,1H3InChIKey=RTDVCEBOPGWXMH-UHFFFAOYSA-N155.9Ex 155.92(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) NC(C=CBr)C -19PredN
NC(C1CC1)Br7672150.019C4H8BrNbromo(cyclopropyl)methanamineN146NC(C1CC1)BrInChI=1S/C4H8BrN/c5-4(6)3-1-2-3/h3-4H,1-2,6H2InChIKey=BUAPOJQVLAUIDR-UHFFFAOYSA-N152.9Ex 152.90(BP est) -8.35(MP est) ----(BP exp) ----(MP exp) NC(C1CC1)Br -8.4PredN
BrCNC1CC17673150.019C4H8BrNN-(bromomethyl)cyclopropanamineN146BrCNC1CC1InChI=1S/C4H8BrN/c5-3-6-4-1-2-4/h4,6H,1-3H2InChIKey=NFJAQILXEXXJQY-UHFFFAOYSA-N149.0Ex 148.95(BP est) -17.30(MP est) ----(BP exp) ----(MP exp) BrCNC1CC1 -17.3PredN
BrCNCC=C7674150.019C4H8BrNN-(bromomethyl)prop-2-en-1-amineN146BrCNCC=CInChI=1S/C4H8BrN/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=MIUKIPVMFXLBMV-UHFFFAOYSA-N143.5Ex 143.51(BP est) -28.74(MP est) ----(BP exp) ----(MP exp) BrCNCC=C -28.7PredN
NOC(Cl)(Cl)Cl7677150.383CH2Cl3NOO-(trichloromethyl)hydroxylamineN86NOC(Cl)(Cl)ClInChI=1S/CH2Cl3NO/c2-1(3,4)6-5/h5H2InChIKey=QZRRLMWTPXNZRN-UHFFFAOYSA-N130.4Ex 130.40(BP est) -5.99(MP est) ----(BP exp) ----(MP exp) NOC(Cl)(Cl)Cl -6PredN
O=PC#CBr7684150.899C2BrOP(bromoethynyl)(oxo)phosphaneN55O=PC#CBrInChI=1S/C2BrOP/c3-1-2-5-4InChIKey=NEAZSPGJUYOCTC-UHFFFAOYSA-N174.9Ex 174.92(BP est) 29.94(MP est) ----(BP exp) ----(MP exp) O=PC#CBr 29.9PredN
BrC(P)C#C7685150.943C3H4BrP(1-bromoprop-2-yn-1-yl)phosphaneN95BrC(P)C#CInChI=1S/C3H4BrP/c1-2-3(4)5/h1,3H,5H2InChIKey=CGHXUHUMIJXYNL-UHFFFAOYSA-N131.9Ex 131.92(BP est) -31.54(MP est) ----(BP exp) ----(MP exp) BrC(P)C#C -31.5PredN
PCC#CBr7686150.943C3H4BrP(3-bromoprop-2-yn-1-yl)phosphaneN95PCC#CBrInChI=1S/C3H4BrP/c4-2-1-3-5/h3,5H2InChIKey=IALHMZCNCWBNKT-UHFFFAOYSA-N153.7Ex 153.74(BP est) 11.89(MP est) ----(BP exp) ----(MP exp) PCC#CBr 11.9PredN
CPC#CBr7687150.943C3H4BrP(bromoethynyl)(methyl)phosphaneN95CPC#CBrInChI=1S/C3H4BrP/c1-5-3-2-4/h5H,1H3InChIKey=YGZQSFILOVBLKS-UHFFFAOYSA-N134.6Ex 134.58(BP est) -1.89(MP est) ----(BP exp) ----(MP exp) CPC#CBr -1.9PredN
BrCPC#C7688150.943C3H4BrP(bromomethyl)(ethynyl)phosphaneN95BrCPC#CInChI=1S/C3H4BrP/c1-2-5-3-4/h1,5H,3H2InChIKey=WJRQOKXFDPALHU-UHFFFAOYSA-N126.1Ex 126.05(BP est) -33.94(MP est) ----(BP exp) ----(MP exp) BrCPC#C -33.9PredN
BrC1C=CP17689150.943C3H4BrP2-bromo-1,2-dihydrophospheteN95BrC1C=CP1InChI=1S/C3H4BrP/c4-3-1-2-5-3/h1-3,5HInChIKey=UJRSCJWUJXSWHY-UHFFFAOYSA-N124.9Ex 124.91(BP est) -48.41(MP est) ----(BP exp) ----(MP exp) BrC1C=CP1 -48.4PredN
BrC1=CPC17690150.943C3H4BrP3-bromo-1,2-dihydrophospheteN95BrC1=CPC1InChI=1S/C3H4BrP/c4-3-1-5-2-3/h1,5H,2H2InChIKey=ZVHZGYMJPIGMLF-UHFFFAOYSA-N129.6Ex 129.59(BP est) -38.66(MP est) ----(BP exp) ----(MP exp) BrC1=CPC1 -38.7PredN
BrC1=CCP17691150.943C3H4BrP4-bromo-1,2-dihydrophospheteN95BrC1=CCP1InChI=1S/C3H4BrP/c4-3-1-2-5-3/h1,5H,2H2InChIKey=NPRSVWNAMQRVPL-UHFFFAOYSA-N129.6Ex 129.59(BP est) -38.66(MP est) ----(BP exp) ----(MP exp) BrC1=CCP1 -38.7PredN
OC(=O)C(Br)=C7692150.959C3H3BrO22-bromoacrylic acidN96OC(=O)C(Br)=CInChI=1S/C3H3BrO2/c1-2(4)3(5)6/h1H2,(H,5,6)InChIKey=HMENQNSSJFLQOP-UHFFFAOYSA-N205.7Ex 205.68(BP est) 22.65(MP est) ----(BP exp) ----(MP exp) OC(=O)C(Br)=C 22.7PredN
OC(=O)C=C(Br)7693150.959C3H3BrO23-bromoacrylic acidN96OC(=O)C=C(Br)InChI=1S/C3H3BrO2/c4-2-1-3(5)6/h1-2H,(H,5,6)InChIKey=POAWTYXNXPEWCO-UHFFFAOYSA-N218.4Ex 218.37(BP est) 31.14(MP est) ----(BP exp) ----(MP exp) OC(=O)C=C(Br) 31.1PredY(Kladi et al. 2004)
C(Br)(F)=C(C1)(C1)7694150.978C4H4BrF(bromofluoromethylene)cyclopropaneN106C(Br)(F)=C(C1)(C1)InChI=1S/C4H4BrF/c5-4(6)3-1-2-3/h1-2H2InChIKey=VMXJGPHYHMOXSS-UHFFFAOYSA-N111.9Ex 111.93(BP est) -53.83(MP est) ----(BP exp) ----(MP exp) C(Br)(F)=C(C1)(C1) -53.8PredN
BrC(F)C1=CC17695150.978C4H4BrF1-(bromofluoromethyl)cycloprop-1-eneN106BrC(F)C1=CC1InChI=1S/C4H4BrF/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=VNYQSPBTPFAWSA-UHFFFAOYSA-N102.0Ex 101.99(BP est) -55.79(MP est) ----(BP exp) ----(MP exp) BrC(F)C1=CC1 -55.8PredN
FC(C1)=C1CBr7696150.978C4H4BrF1-(bromomethyl)-2-fluorocycloprop-1-eneN106FC(C1)=C1CBrInChI=1S/C4H4BrF/c5-2-3-1-4(3)6/h1-2H2InChIKey=VYKUURJGNVCYKZ-UHFFFAOYSA-N114.3Ex 114.25(BP est) -38.45(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1CBr -38.5PredN
BrCC1=CC1F7697150.978C4H4BrF1-(bromomethyl)-3-fluorocycloprop-1-eneN106BrCC1=CC1FInChI=1S/C4H4BrF/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=QHVPOWPXKHXQPY-UHFFFAOYSA-N109.4Ex 109.44(BP est) -48.24(MP est) ----(BP exp) ----(MP exp) BrCC1=CC1F -48.2PredN
C(Br)=C(C1)(C1F)7698150.978C4H4BrF1-(bromomethylene)-2-fluorocyclopropaneN106C(Br)=C(C1)(C1F)InChI=1S/C4H4BrF/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=XTUCLJWMTNGZLX-UHFFFAOYSA-N111.5Ex 111.53(BP est) -49.09(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C1)(C1F) -49.1PredN
C=C(C1)(C1(Br)F)7699150.978C4H4BrF1-bromo-1-fluoro-2-methylenecyclopropaneN106C=C(C1)(C1(Br)F)InChI=1S/C4H4BrF/c1-3-2-4(3,5)6/h1-2H2InChIKey=IILUAHPPSSMCFL-UHFFFAOYSA-N89.7Ex 89.68(BP est) -41.85(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C1(Br)F) -41.9PredN
C(C)#C(C(Br)F)7700150.978C4H4BrF1-bromo-1-fluorobut-2-yneN106C(C)#C(C(Br)F)InChI=1S/C4H4BrF/c1-2-3-4(5)6/h4H,1H3InChIKey=GYYDLTJZCHUFPX-UHFFFAOYSA-N107.2Ex 107.21(BP est) -18.95(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(Br)F) -19PredN
C=C(C=C(Br)F)7701150.978C4H4BrF1-bromo-1-fluorobuta-1,3-dieneN106C=C(C=C(Br)F)InChI=1S/C4H4BrF/c1-2-3-4(5)6/h2-3H,1H2InChIKey=UTWYXXQTTTWZRF-UHFFFAOYSA-N103.4Ex 103.37(BP est) -76.02(MP est) ----(BP exp) ----(MP exp) C=C(C=C(Br)F) -76PredN
BrC(C1)=C1CF7702150.978C4H4BrF1-bromo-2-(fluoromethyl)cycloprop-1-eneN106BrC(C1)=C1CFInChI=1S/C4H4BrF/c5-4-1-3(4)2-6/h1-2H2InChIKey=JWUFNADAOGVHNL-UHFFFAOYSA-N114.3Ex 114.25(BP est) -38.45(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1CF -38.5PredN
C(F)=C(C1)(C1Br)7703150.978C4H4BrF1-bromo-2-(fluoromethylene)cyclopropaneN106C(F)=C(C1)(C1Br)InChI=1S/C4H4BrF/c5-4-1-3(4)2-6/h2,4H,1H2InChIKey=FYPLMFKXOGCEMJ-UHFFFAOYSA-N111.5Ex 111.53(BP est) -49.09(MP est) ----(BP exp) ----(MP exp) C(F)=C(C1)(C1Br) -49.1PredN
BrC(C1C)=C1F7704150.978C4H4BrF1-bromo-2-fluoro-3-methylcycloprop-1-eneN106BrC(C1C)=C1FInChI=1S/C4H4BrF/c1-2-3(5)4(2)6/h2H,1H3InChIKey=KSUKXFZSKUMGJR-UHFFFAOYSA-N107.4Ex 107.40(BP est) -42.57(MP est) ----(BP exp) ----(MP exp) BrC(C1C)=C1F -42.6PredN
C=C(C1Br)(C1F)7705150.978C4H4BrF1-bromo-2-fluoro-3-methylenecyclopropaneN106C=C(C1Br)(C1F)InChI=1S/C4H4BrF/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=DCKQDZGQYQKWNC-UHFFFAOYSA-N95.5Ex 95.46(BP est) -54.24(MP est) ----(BP exp) ----(MP exp) C=C(C1Br)(C1F) -54.2PredN
C=C(C(F)=CBr)7706150.978C4H4BrF1-bromo-2-fluorobuta-1,3-dieneN106C=C(C(F)=CBr)InChI=1S/C4H4BrF/c1-2-4(6)3-5/h2-3H,1H2InChIKey=NGKNLPCVPOXMMN-UHFFFAOYSA-N103.4Ex 103.37(BP est) -76.02(MP est) ----(BP exp) ----(MP exp) C=C(C(F)=CBr) -76PredN
C(C1)(C(Br)=C1F)7707150.978C4H4BrF1-bromo-2-fluorocyclobut-1-eneN106C(C1)(C(Br)=C1F)InChI=1S/C4H4BrF/c5-3-1-2-4(3)6/h1-2H2InChIKey=SAKSRUZCAAHBLN-UHFFFAOYSA-N116.4Ex 116.40(BP est) -39.58(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Br)=C1F) -39.6PredN
BrC1=CC1CF7708150.978C4H4BrF1-bromo-3-(fluoromethyl)cycloprop-1-eneN106BrC1=CC1CFInChI=1S/C4H4BrF/c5-4-1-3(4)2-6/h1,3H,2H2InChIKey=BPGMAPGEZIAHNC-UHFFFAOYSA-N109.4Ex 109.44(BP est) -48.24(MP est) ----(BP exp) ----(MP exp) BrC1=CC1CF -48.2PredN
BrC(C1F)=C1C7709150.978C4H4BrF1-bromo-3-fluoro-2-methylcycloprop-1-eneN106BrC(C1F)=C1CInChI=1S/C4H4BrF/c1-2-3(5)4(2)6/h4H,1H3InChIKey=ITGJVGLAWHCWIU-UHFFFAOYSA-N107.4Ex 107.40(BP est) -42.57(MP est) ----(BP exp) ----(MP exp) BrC(C1F)=C1C -42.6PredN
BrC1=CC1(C)F7710150.978C4H4BrF1-bromo-3-fluoro-3-methylcycloprop-1-eneN106BrC1=CC1(C)FInChI=1S/C4H4BrF/c1-4(6)2-3(4)5/h2H,1H3InChIKey=JBGZYNRYELULSA-UHFFFAOYSA-N96.8Ex 96.82(BP est) -39.97(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(C)F -40PredN
C(C(F)C#CBr)7711150.978C4H4BrF1-bromo-3-fluorobut-1-yneN106C(C(F)C#CBr)InChI=1S/C4H4BrF/c1-4(6)2-3-5/h4H,1H3InChIKey=PDUZQGCNLBOWSR-UHFFFAOYSA-N107.2Ex 107.21(BP est) -18.95(MP est) ----(BP exp) ----(MP exp) C(C(F)C#CBr) -19PredN
C=C(F)(C=CBr)7712150.978C4H4BrF1-bromo-3-fluorobuta-1,3-dieneN106C=C(F)(C=CBr)InChI=1S/C4H4BrF/c1-4(6)2-3-5/h2-3H,1H2InChIKey=LYVARTATJSSMPT-UHFFFAOYSA-N103.4Ex 103.37(BP est) -76.02(MP est) ----(BP exp) ----(MP exp) C=C(F)(C=CBr) -76PredN
C(C1F)(C(Br)=C1)7713150.978C4H4BrF1-bromo-3-fluorocyclobut-1-eneN106C(C1F)(C(Br)=C1)InChI=1S/C4H4BrF/c5-3-1-4(6)2-3/h1,4H,2H2InChIKey=RASSRWDPGDPYHO-UHFFFAOYSA-N111.6Ex 111.61(BP est) -49.36(MP est) ----(BP exp) ----(MP exp) C(C1F)(C(Br)=C1) -49.4PredN
C(F)(CC#CBr)7714150.978C4H4BrF1-bromo-4-fluorobut-1-yneN106C(F)(CC#CBr)InChI=1S/C4H4BrF/c5-3-1-2-4-6/h2,4H2InChIKey=GEQQUIBDNKMGFH-UHFFFAOYSA-N121.4Ex 121.36(BP est) -7.31(MP est) ----(BP exp) ----(MP exp) C(F)(CC#CBr) -7.3PredN
C(CBr)#C(CF)7715150.978C4H4BrF1-bromo-4-fluorobut-2-yneN106C(CBr)#C(CF)InChI=1S/C4H4BrF/c5-3-1-2-4-6/h3-4H2InChIKey=VZJGTRYQKSEQFY-UHFFFAOYSA-N121.4Ex 121.36(BP est) -7.31(MP est) ----(BP exp) ----(MP exp) C(CBr)#C(CF) -7.3PredN
C(Br)=C(C=CF)7716150.978C4H4BrF1-bromo-4-fluorobuta-1,3-dieneN106C(Br)=C(C=CF)InChI=1S/C4H4BrF/c5-3-1-2-4-6/h1-4HInChIKey=GMVVKTIFNPPMAD-UHFFFAOYSA-N118.9Ex 118.85(BP est) -66.18(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C=CF) -66.2PredN
C(C1F)(C=C1Br)7717150.978C4H4BrF1-bromo-4-fluorocyclobut-1-eneN106C(C1F)(C=C1Br)InChI=1S/C4H4BrF/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=YXVWXRJJSFSAQN-UHFFFAOYSA-N111.6Ex 111.61(BP est) -49.36(MP est) ----(BP exp) ----(MP exp) C(C1F)(C=C1Br) -49.4PredN
C=C(C(Br)=CF)7718150.978C4H4BrF2-bromo-1-fluorobuta-1,3-dieneN106C=C(C(Br)=CF)InChI=1S/C4H4BrF/c1-2-4(5)3-6/h2-3H,1H2InChIKey=SDFYNSXJKLMXTJ-UHFFFAOYSA-N103.4Ex 103.37(BP est) -76.02(MP est) ----(BP exp) ----(MP exp) C=C(C(Br)=CF) -76PredN
C=C(Br)(C(F)=C)7719150.978C4H4BrF2-bromo-3-fluorobuta-1,3-dieneN106C=C(Br)(C(F)=C)InChI=1S/C4H4BrF/c1-3(5)4(2)6/h1-2H2InChIKey=VKERCSMGYGXVNV-UHFFFAOYSA-N87.5Ex 87.51(BP est) -85.97(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C(F)=C) -86PredN
BrC(F)C1C=C17720150.978C4H4BrF3-(bromofluoromethyl)cycloprop-1-eneN106BrC(F)C1C=C1InChI=1S/C4H4BrF/c5-4(6)3-1-2-3/h1-4HInChIKey=ZONSSHQETMVLRL-UHFFFAOYSA-N97.1Ex 97.08(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) BrC(F)C1C=C1 -65.6PredN
FC1=CC1CBr7721150.978C4H4BrF3-(bromomethyl)-1-fluorocycloprop-1-eneN106FC1=CC1CBrInChI=1S/C4H4BrF/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=UZVHKEOVYQZQKF-UHFFFAOYSA-N109.4Ex 109.44(BP est) -48.24(MP est) ----(BP exp) ----(MP exp) FC1=CC1CBr -48.2PredN
FC1(CBr)C=C17722150.978C4H4BrF3-(bromomethyl)-3-fluorocycloprop-1-eneN106FC1(CBr)C=C1InChI=1S/C4H4BrF/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=BVPXDKCCVOJBKM-UHFFFAOYSA-N98.9Ex 98.90(BP est) -45.62(MP est) ----(BP exp) ----(MP exp) FC1(CBr)C=C1 -45.6PredN
FCC1=CC1Br7723150.978C4H4BrF3-bromo-1-(fluoromethyl)cycloprop-1-eneN106FCC1=CC1BrInChI=1S/C4H4BrF/c5-4-1-3(4)2-6/h1,4H,2H2InChIKey=FMZPGIYPRKOUOT-UHFFFAOYSA-N109.4Ex 109.44(BP est) -48.24(MP est) ----(BP exp) ----(MP exp) FCC1=CC1Br -48.2PredN
FC(C1Br)=C1C7724150.978C4H4BrF3-bromo-1-fluoro-2-methylcycloprop-1-eneN106FC(C1Br)=C1CInChI=1S/C4H4BrF/c1-2-3(5)4(2)6/h3H,1H3InChIKey=XJBHITSJAYDZLO-UHFFFAOYSA-N107.4Ex 107.40(BP est) -42.57(MP est) ----(BP exp) ----(MP exp) FC(C1Br)=C1C -42.6PredN
FC1=CC1(C)Br7725150.978C4H4BrF3-bromo-1-fluoro-3-methylcycloprop-1-eneN106FC1=CC1(C)BrInChI=1S/C4H4BrF/c1-4(5)2-3(4)6/h2H,1H3InChIKey=VMNFQVYSOVSYLB-UHFFFAOYSA-N96.8Ex 96.82(BP est) -39.97(MP est) ----(BP exp) ----(MP exp) FC1=CC1(C)Br -40PredN
C(C(Br)C#CF)7726150.978C4H4BrF3-bromo-1-fluorobut-1-yneN106C(C(Br)C#CF)InChI=1S/C4H4BrF/c1-4(5)2-3-6/h4H,1H3InChIKey=UQSQKGHOQUXUIS-UHFFFAOYSA-N107.2Ex 107.21(BP est) -18.95(MP est) ----(BP exp) ----(MP exp) C(C(Br)C#CF) -19PredN
C=C(Br)(C=CF)7727150.978C4H4BrF3-bromo-1-fluorobuta-1,3-dieneN106C=C(Br)(C=CF)InChI=1S/C4H4BrF/c1-4(5)2-3-6/h2-3H,1H2InChIKey=QGHICWCFHYSPSK-UHFFFAOYSA-N103.4Ex 103.37(BP est) -76.02(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C=CF) -76PredN
C(C1Br)(C(F)=C1)7728150.978C4H4BrF3-bromo-1-fluorocyclobut-1-eneN106C(C1Br)(C(F)=C1)InChI=1S/C4H4BrF/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=LZDDCLUBCYQIGO-UHFFFAOYSA-N111.6Ex 111.61(BP est) -49.36(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C(F)=C1) -49.4PredN
BrC1(CF)C=C17729150.978C4H4BrF3-bromo-3-(fluoromethyl)cycloprop-1-eneN106BrC1(CF)C=C1InChI=1S/C4H4BrF/c5-4(3-6)1-2-4/h1-2H,3H2InChIKey=UOUGQTNBSXILPO-UHFFFAOYSA-N98.9Ex 98.90(BP est) -45.62(MP est) ----(BP exp) ----(MP exp) BrC1(CF)C=C1 -45.6PredN
CC1=CC1(F)Br7730150.978C4H4BrF3-bromo-3-fluoro-1-methylcycloprop-1-eneN106CC1=CC1(F)BrInChI=1S/C4H4BrF/c1-3-2-4(3,5)6/h2H,1H3InChIKey=BVLQSFTUUIJUBD-UHFFFAOYSA-N96.8Ex 96.82(BP est) -39.97(MP est) ----(BP exp) ----(MP exp) CC1=CC1(F)Br -40PredN
C(C(Br)(F)C#C)7731150.978C4H4BrF3-bromo-3-fluorobut-1-yneN106C(C(Br)(F)C#C)InChI=1S/C4H4BrF/c1-3-4(2,5)6/h1H,2H3InChIKey=RLEYUERUVYXXGR-UHFFFAOYSA-N88.7Ex 88.66(BP est) -45.22(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)C#C) -45.2PredN
C(C1(Br)F)(C=C1)7732150.978C4H4BrF3-bromo-3-fluorocyclobut-1-eneN106C(C1(Br)F)(C=C1)InChI=1S/C4H4BrF/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=JYHWVZIEWUVQGC-UHFFFAOYSA-N101.1Ex 101.10(BP est) -46.74(MP est) ----(BP exp) ----(MP exp) C(C1(Br)F)(C=C1) -46.7PredN
C(F)(C(Br)C#C)7733150.978C4H4BrF3-bromo-4-fluorobut-1-yneN106C(F)(C(Br)C#C)InChI=1S/C4H4BrF/c1-2-4(5)3-6/h1,4H,3H2InChIKey=CRKCWNOJIOQDGE-UHFFFAOYSA-N98.3Ex 98.28(BP est) -51.12(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)C#C) -51.1PredN
C(Br)(C1F)(C=C1)7734150.978C4H4BrF3-bromo-4-fluorocyclobut-1-eneN106C(Br)(C1F)(C=C1)InChI=1S/C4H4BrF/c5-3-1-2-4(3)6/h1-4HInChIKey=BGVXGJJFTBAYJZ-UHFFFAOYSA-N106.8Ex 106.78(BP est) -59.15(MP est) ----(BP exp) ----(MP exp) C(Br)(C1F)(C=C1) -59.2PredN
C(Br)(CC#CF)7735150.978C4H4BrF4-bromo-1-fluorobut-1-yneN106C(Br)(CC#CF)InChI=1S/C4H4BrF/c5-3-1-2-4-6/h1,3H2InChIKey=JNGZMANVZPGNES-UHFFFAOYSA-N121.4Ex 121.36(BP est) -7.31(MP est) ----(BP exp) ----(MP exp) C(Br)(CC#CF) -7.3PredN
C(C1Br)(C=C1F)7736150.978C4H4BrF4-bromo-1-fluorocyclobut-1-eneN106C(C1Br)(C=C1F)InChI=1S/C4H4BrF/c5-3-1-2-4(3)6/h2-3H,1H2InChIKey=BDWDWSNNMRHZKS-UHFFFAOYSA-N111.6Ex 111.61(BP est) -49.36(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C=C1F) -49.4PredN
C(Br)(C(F)C#C)7737150.978C4H4BrF4-bromo-3-fluorobut-1-yneN106C(Br)(C(F)C#C)InChI=1S/C4H4BrF/c1-2-4(6)3-5/h1,4H,3H2InChIKey=OJCDKKFISYJOIY-UHFFFAOYSA-N98.3Ex 98.28(BP est) -51.12(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)C#C) -51.1PredN
C(Br)(F)(CC#C)7738150.978C4H4BrF4-bromo-4-fluorobut-1-yneN106C(Br)(F)(CC#C)InChI=1S/C4H4BrF/c1-2-3-4(5)6/h1,4H,3H2InChIKey=SBJPXCRLQUDTAW-UHFFFAOYSA-N98.3Ex 98.28(BP est) -51.12(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(CC#C) -51.1PredN
OCC(Br)(C1)(C1)7739151.003C4H7BrO(1-bromocyclopropyl)methanolN136OCC(Br)(C1)(C1)InChI=1S/C4H7BrO/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=WKFDDISTWXHCAW-UHFFFAOYSA-N177.9Ex 177.92(BP est) 7.18(MP est) ----(BP exp) ----(MP exp) OCC(Br)(C1)(C1) 7.2PredN
BrC(OC=C)C7740151.003C4H7BrO(1-bromoethoxy)etheneN136BrC(OC=C)CInChI=1S/C4H7BrO/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=VDLFJFVXNVGREX-UHFFFAOYSA-N110.6Ex 110.57(BP est) -61.07(MP est) ----(BP exp) ----(MP exp) BrC(OC=C)C -61.1PredN
OCC(C1)(C1Br)7741151.003C4H7BrO(2-bromocyclopropyl)methanolN136OCC(C1)(C1Br)InChI=1S/C4H7BrO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=SOUNJUAOSVUXMT-UHFFFAOYSA-N182.9Ex 182.87(BP est) -5.44(MP est) ----(BP exp) ----(MP exp) OCC(C1)(C1Br) -5.4PredN
BrCCOC=C7742151.003C4H7BrO(2-bromoethoxy)etheneN136BrCCOC=CInChI=1S/C4H7BrO/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=PPUZXOKAOIOPIE-UHFFFAOYSA-N126.3Ex 124.65(BP est) -49.46(MP est) ----(BP exp) ----(MP exp) BrCCOC=C -49.5PredN
BrCOC1CC17743151.003C4H7BrO(bromomethoxy)cyclopropaneN136BrCOC1CC1InChI=1S/C4H7BrO/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=ARBNZNRPLQXFPI-UHFFFAOYSA-N130.3Ex 130.27(BP est) -37.97(MP est) ----(BP exp) ----(MP exp) BrCOC1CC1 -38PredN
BrCOC=CC7744151.003C4H7BrO1-(bromomethoxy)prop-1-eneN136BrCOC=CCInChI=1S/C4H7BrO/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=RNPMNRMYCCSJLT-UHFFFAOYSA-N133.4Ex 133.42(BP est) -48.56(MP est) ----(BP exp) ----(MP exp) BrCOC=CC -48.6PredN
OC(CBr)(C1)(C1)7745151.003C4H7BrO1-(bromomethyl)cyclopropan-1-olN136OC(CBr)(C1)(C1)InChI=1S/C4H7BrO/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=QOCFRSDXGCXPHX-UHFFFAOYSA-N161.1Ex 161.13(BP est) 2.28(MP est) ----(BP exp) ----(MP exp) OC(CBr)(C1)(C1) 2.3PredN
CCOC(Br)=C7746151.003C4H7BrO1-bromo-1-ethoxyetheneN136CCOC(Br)=CInChI=1S/C4H7BrO/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=MFQRDKOUGUZCBS-UHFFFAOYSA-N118.3Ex 118.32(BP est) -58.29(MP est) ----(BP exp) ----(MP exp) CCOC(Br)=C -58.3PredN
COC1(CC1)Br7747151.003C4H7BrO1-bromo-1-methoxycyclopropaneN136COC1(CC1)BrInChI=1S/C4H7BrO/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=ZLFOSYLONOHFCI-UHFFFAOYSA-N118.1Ex 118.09(BP est) -29.58(MP est) ----(BP exp) ----(MP exp) COC1(CC1)Br -29.6PredN
COC(Br)=CC7748151.003C4H7BrO1-bromo-1-methoxyprop-1-eneN136COC(Br)=CCInChI=1S/C4H7BrO/c1-3-4(5)6-2/h3H,1-2H3InChIKey=SAJUNDIZGSXWOQ-UHFFFAOYSA-N127.2Ex 127.18(BP est) -57.37(MP est) ----(BP exp) ----(MP exp) COC(Br)=CC -57.4PredN
CCOC=CBr7749151.003C4H7BrO1-bromo-2-ethoxyetheneN136CCOC=CBrInChI=1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=BCFCTTHZFYZOHT-UHFFFAOYSA-N133.4Ex 133.42(BP est) -48.56(MP est) ----(BP exp) ----(MP exp) CCOC=CBr -48.6PredN
COC1CC1Br7750151.003C4H7BrO1-bromo-2-methoxycyclopropaneN136COC1CC1BrInChI=1S/C4H7BrO/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=BLBYSMUZLRWJHM-UHFFFAOYSA-N123.6Ex 123.61(BP est) -42.04(MP est) ----(BP exp) ----(MP exp) COC1CC1Br -42PredN
COC(C)=CBr7751151.003C4H7BrO1-bromo-2-methoxyprop-1-eneN136COC(C)=CBrInChI=1S/C4H7BrO/c1-4(3-5)6-2/h3H,1-2H3InChIKey=QQCZQRCXTYQIKT-UHFFFAOYSA-N127.2Ex 127.18(BP est) -57.37(MP est) ----(BP exp) ----(MP exp) COC(C)=CBr -57.4PredN
COCC=CBr7752151.003C4H7BrO1-bromo-3-methoxyprop-1-eneN136COCC=CBrInChI=1S/C4H7BrO/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=MWXKJMNQXWHPFM-UHFFFAOYSA-N133.4Ex 133.42(BP est) -48.56(MP est) ----(BP exp) ----(MP exp) COCC=CBr -48.6PredN
OC(Br)(CC=C)7753151.003C4H7BrO1-bromobut-3-en-1-olN136OC(Br)(CC=C)InChI=1S/C4H7BrO/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=FFYOGVUYNWIWSL-UHFFFAOYSA-N164.3Ex 164.30(BP est) -26.09(MP est) ----(BP exp) ----(MP exp) OC(Br)(CC=C) -26.1PredN
OC(CBr)(C=C)7754151.003C4H7BrO1-bromobut-3-en-2-olN136OC(CBr)(C=C)InChI=1S/C4H7BrO/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=PDAWHBQDMPNZQI-UHFFFAOYSA-N164.3Ex 164.30(BP est) -26.09(MP est) ----(BP exp) ----(MP exp) OC(CBr)(C=C) -26.1PredN
BrCC(CC)=O7755151.003C4H7BrO1-bromobutan-2-oneN136BrCC(CC)=OInChI=1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3InChIKey=CCXQVBSQUQCEEO-UHFFFAOYSA-N147.0Ex 147.04(BP est) -28.20(MP est) ----(BP exp) ----(MP exp) BrCC(CC)=O -28.2PredN
OC(Br)(C1)(CC1)7756151.003C4H7BrO1-bromocyclobutan-1-olN136OC(Br)(C1)(CC1)InChI=1S/C4H7BrO/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=MVBKEBISHZLPDG-UHFFFAOYSA-N163.1Ex 163.11(BP est) 1.10(MP est) ----(BP exp) ----(MP exp) OC(Br)(C1)(CC1) 1.1PredN
BrC(C)C1CO17757151.003C4H7BrO2-(1-bromoethyl)oxiraneN136BrC(C)C1CO1InChI=1S/C4H7BrO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=YXGBQJQAKULVEL-UHFFFAOYSA-N121.7Ex 121.72(BP est) -45.80(MP est) ----(BP exp) ----(MP exp) BrC(C)C1CO1 -45.8PredN
BrCCC1CO17758151.003C4H7BrO2-(2-bromoethyl)oxiraneN136BrCCC1CO1InChI=1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=ZKODPGZNBMIZFX-UHFFFAOYSA-N135.5Ex 135.53(BP est) -34.27(MP est) ----(BP exp) ----(MP exp) BrCCC1CO1 -34.3PredN
BrCOC(C)=C7759151.003C4H7BrO2-(bromomethoxy)prop-1-eneN136BrCOC(C)=CInChI=1S/C4H7BrO/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=WIBCIIKAZKUBEN-UHFFFAOYSA-N118.3Ex 118.32(BP est) -58.29(MP est) ----(BP exp) ----(MP exp) BrCOC(C)=C -58.3PredN
CC1(CBr)CO17760151.003C4H7BrO2-(bromomethyl)-2-methyloxiraneN136CC1(CBr)CO1InChI=1S/C4H7BrO/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=KLIGCFPMFRTVFR-UHFFFAOYSA-N123.5Ex 123.46(BP est) -25.84(MP est) ----(BP exp) ----(MP exp) CC1(CBr)CO1 -25.8PredN
CC1C(CBr)O17761151.003C4H7BrO2-(bromomethyl)-3-methyloxiraneN136CC1C(CBr)O1InChI=1S/C4H7BrO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=PNKIAICRRFHSBQ-UHFFFAOYSA-N128.9Ex 128.93(BP est) -38.31(MP est) ----(BP exp) ----(MP exp) CC1C(CBr)O1 -38.3PredN
BrCC1OCC17762151.003C4H7BrO2-(bromomethyl)oxetaneN136BrCC1OCC1InChI=1S/C4H7BrO/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=OMXAGUVERXNCSZ-UHFFFAOYSA-N137.6Ex 137.61(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) BrCC1OCC1 -35.4PredN
COC=C(C)Br7763151.003C4H7BrO2-bromo-1-methoxyprop-1-eneN136COC=C(C)BrInChI=1S/C4H7BrO/c1-4(5)3-6-2/h3H,1-2H3InChIKey=SEQKVOANUWZAOF-UHFFFAOYSA-N127.2Ex 127.18(BP est) -57.37(MP est) ----(BP exp) ----(MP exp) COC=C(C)Br -57.4PredN
OC1(CC1Br)C7764151.003C4H7BrO2-bromo-1-methylcyclopropan-1-olN136OC1(CC1Br)CInChI=1S/C4H7BrO/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=PRJHACRLHQPKTH-UHFFFAOYSA-N154.8Ex 154.83(BP est) -1.68(MP est) ----(BP exp) ----(MP exp) OC1(CC1Br)C -1.7PredN
CC1C(Br)(C)O17765151.003C4H7BrO2-bromo-2,3-dimethyloxiraneN136CC1C(Br)(C)O1InChI=1S/C4H7BrO/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=USTWZRFBFHCFRF-UHFFFAOYSA-N116.7Ex 116.72(BP est) -29.93(MP est) ----(BP exp) ----(MP exp) CC1C(Br)(C)O1 -29.9PredN
BrC1(CC)CO17766151.003C4H7BrO2-bromo-2-ethyloxiraneN136BrC1(CC)CO1InChI=1S/C4H7BrO/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=TVKQPWKTIJYETE-UHFFFAOYSA-N123.5Ex 123.46(BP est) -25.84(MP est) ----(BP exp) ----(MP exp) BrC1(CC)CO1 -25.8PredN
BrC1(C)OCC17767151.003C4H7BrO2-bromo-2-methyloxetaneN136BrC1(C)OCC1InChI=1S/C4H7BrO/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=ORKWMHCYTILAII-UHFFFAOYSA-N125.6Ex 125.57(BP est) -26.98(MP est) ----(BP exp) ----(MP exp) BrC1(C)OCC1 -27PredN
O=CC(C)(C)Br7768151.003C4H7BrO2-bromo-2-methylpropanalN136O=CC(C)(C)BrInChI=1S/C4H7BrO/c1-4(2,5)3-6/h3H,1-2H3InChIKey=KLTWFFAVGWWIKL-UHFFFAOYSA-N137.7Ex 137.70(BP est) -33.68(MP est) ----(BP exp) ----(MP exp) O=CC(C)(C)Br -33.7PredN
BrC1C(CC)O17769151.003C4H7BrO2-bromo-3-ethyloxiraneN136BrC1C(CC)O1InChI=1S/C4H7BrO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=TUGYYYCKWFHYSY-UHFFFAOYSA-N128.9Ex 128.93(BP est) -38.31(MP est) ----(BP exp) ----(MP exp) BrC1C(CC)O1 -38.3PredN
COCC(Br)=C7770151.003C4H7BrO2-bromo-3-methoxyprop-1-eneN136COCC(Br)=CInChI=1S/C4H7BrO/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=MZAAWMJMBVOMHP-UHFFFAOYSA-N118.3Ex 118.32(BP est) -58.29(MP est) ----(BP exp) ----(MP exp) COCC(Br)=C -58.3PredN
BrC1OCC1C7771151.003C4H7BrO2-bromo-3-methyloxetaneN136BrC1OCC1CInChI=1S/C4H7BrO/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=FSRSHMMJFWYORK-UHFFFAOYSA-N131.0Ex 131.03(BP est) -39.46(MP est) ----(BP exp) ----(MP exp) BrC1OCC1C -39.5PredN
BrC1CC(C)O17772151.003C4H7BrO2-bromo-4-methyloxetaneN136BrC1CC(C)O1InChI=1S/C4H7BrO/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=FFLNKHJMDAMEJA-UHFFFAOYSA-N131.0Ex 131.03(BP est) -39.46(MP est) ----(BP exp) ----(MP exp) BrC1CC(C)O1 -39.5PredN
OC(C(Br)C=C)7773151.003C4H7BrO2-bromobut-3-en-1-olN136OC(C(Br)C=C)InChI=1S/C4H7BrO/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=OFBZLJLUBJMYIT-UHFFFAOYSA-N171.2Ex 171.19(BP est) -24.08(MP est) ----(BP exp) ----(MP exp) OC(C(Br)C=C) -24.1PredN
OC(C)(C=C)Br7774151.003C4H7BrO2-bromobut-3-en-2-olN136OC(C)(C=C)BrInChI=1S/C4H7BrO/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=CJTIOOSYZATOGM-UHFFFAOYSA-N145.4Ex 145.42(BP est) -22.89(MP est) ----(BP exp) ----(MP exp) OC(C)(C=C)Br -22.9PredN
O=CC(CC)Br7775151.003C4H7BrO2-bromobutanalN136O=CC(CC)BrInChI=1S/C4H7BrO/c1-2-4(5)3-6/h3-4H,2H2,1H3InChIKey=HAIGSNHRJAADFJ-UHFFFAOYSA-N146.6Ex 146.57(BP est) -39.80(MP est) ----(BP exp) ----(MP exp) O=CC(CC)Br -39.8PredN
OC(C1)(C(Br)C1)7776151.003C4H7BrO2-bromocyclobutan-1-olN136OC(C1)(C(Br)C1)InChI=1S/C4H7BrO/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=AOICBJMMIUUGPQ-UHFFFAOYSA-N178.1Ex 178.05(BP est) -8.61(MP est) ----(BP exp) ----(MP exp) OC(C1)(C(Br)C1) -8.6PredN
BrC1OCCC17777151.003C4H7BrO2-bromotetrahydrofuranN136BrC1OCCC1InChI=1S/C4H7BrO/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=CBEDHUWRUQKFEX-UHFFFAOYSA-N139.7Ex 139.67(BP est) -36.58(MP est) ----(BP exp) ----(MP exp) BrC1OCCC1 -36.6PredN
BrCOCC=C7778151.003C4H7BrO3-(bromomethoxy)prop-1-eneN136BrCOCC=CInChI=1S/C4H7BrO/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=AOUWNNKTAUELAB-UHFFFAOYSA-N124.7Ex 124.65(BP est) -49.46(MP est) ----(BP exp) ----(MP exp) BrCOCC=C -49.5PredN
BrCC1COC17779151.003C4H7BrO3-(bromomethyl)oxetaneN136BrCC1COC1InChI=1S/C4H7BrO/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=IEDRUQXJIWTVIL-UHFFFAOYSA-N137.6Ex 137.61(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) BrCC1COC1 -35.4PredN
COC=CCBr7780151.003C4H7BrO3-bromo-1-methoxyprop-1-eneN136COC=CCBrInChI=1S/C4H7BrO/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=NWYJQTLJAVKOCM-UHFFFAOYSA-N133.4Ex 133.42(BP est) -48.56(MP est) ----(BP exp) ----(MP exp) COC=CCBr -48.6PredN
BrC1C(C)(C)O17781151.003C4H7BrO3-bromo-2,2-dimethyloxiraneN136BrC1C(C)(C)O1InChI=1S/C4H7BrO/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=CSCOPFWNGAWHEF-UHFFFAOYSA-N116.7Ex 116.72(BP est) -29.93(MP est) ----(BP exp) ----(MP exp) BrC1C(C)(C)O1 -29.9PredN
COC(CBr)=C7782151.003C4H7BrO3-bromo-2-methoxyprop-1-eneN136COC(CBr)=CInChI=1S/C4H7BrO/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=MALRJHQIKRJCMN-UHFFFAOYSA-N118.3Ex 118.32(BP est) -58.29(MP est) ----(BP exp) ----(MP exp) COC(CBr)=C -58.3PredN
CC1OCC1Br7783151.003C4H7BrO3-bromo-2-methyloxetaneN136CC1OCC1BrInChI=1S/C4H7BrO/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=WAHDZMLPLDMWAX-UHFFFAOYSA-N131.0Ex 131.03(BP est) -39.46(MP est) ----(BP exp) ----(MP exp) CC1OCC1Br -39.5PredN
O=CC(CBr)C7784151.003C4H7BrO3-bromo-2-methylpropanalN136O=CC(CBr)CInChI=1S/C4H7BrO/c1-4(2-5)3-6/h3-4H,2H2,1H3InChIKey=OVFCFVQGKPLHFS-UHFFFAOYSA-N146.6Ex 146.57(BP est) -39.80(MP est) ----(BP exp) ----(MP exp) O=CC(CBr)C -39.8PredN
COC(C=C)Br7785151.003C4H7BrO3-bromo-3-methoxyprop-1-eneN136COC(C=C)BrInChI=1S/C4H7BrO/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=IISKXVPHKUPWPH-UHFFFAOYSA-N110.6Ex 110.57(BP est) -61.07(MP est) ----(BP exp) ----(MP exp) COC(C=C)Br -61.1PredN
BrC1(C)COC17786151.003C4H7BrO3-bromo-3-methyloxetaneN136BrC1(C)COC1InChI=1S/C4H7BrO/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=ODOQUGUXJYEYGW-UHFFFAOYSA-N125.6Ex 125.57(BP est) -26.98(MP est) ----(BP exp) ----(MP exp) BrC1(C)COC1 -27PredN
OC(CC(Br)=C)7787151.003C4H7BrO3-bromobut-3-en-1-olN136OC(CC(Br)=C)InChI=1S/C4H7BrO/c1-4(5)2-3-6/h6H,1-3H2InChIKey=RTKMFQOHBDVEBC-UHFFFAOYSA-N178.1Ex 178.13(BP est) -21.54(MP est) ----(BP exp) ----(MP exp) OC(CC(Br)=C) -21.5PredN
OC(C(Br)=C)C7788151.003C4H7BrO3-bromobut-3-en-2-olN136OC(C(Br)=C)CInChI=1S/C4H7BrO/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=UMCYSPFKWHNRET-UHFFFAOYSA-N158.4Ex 158.40(BP est) -34.79(MP est) ----(BP exp) ----(MP exp) OC(C(Br)=C)C -34.8PredN
CC(C(C)Br)=O7789151.003C4H7BrO3-bromobutan-2-oneN136CC(C(C)Br)=OInChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3InChIKey=BNBOUFHCTIFWHN-UHFFFAOYSA-N133.5Ex 133.50(BP est) -39.65(MP est) ----(BP exp) ----(MP exp) CC(C(C)Br)=O -39.7PredN
O=CCC(C)Br7790151.003C4H7BrO3-bromobutanalN136O=CCC(C)BrInChI=1S/C4H7BrO/c1-4(5)2-3-6/h3-4H,2H2,1H3InChIKey=WCSWBFHXMBBSDL-UHFFFAOYSA-N146.6Ex 146.57(BP est) -39.80(MP est) ----(BP exp) ----(MP exp) O=CCC(C)Br -39.8PredN
OC(C1)(CC1Br)7791151.003C4H7BrO3-bromocyclobutan-1-olN136OC(C1)(CC1Br)InChI=1S/C4H7BrO/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=HWLHFIFQJICDNX-UHFFFAOYSA-N178.1Ex 178.05(BP est) -8.61(MP est) ----(BP exp) ----(MP exp) OC(C1)(CC1Br) -8.6PredN
BrC1CCOC17792151.003C4H7BrO3-bromotetrahydrofuranN136BrC1CCOC1InChI=1S/C4H7BrO/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=NPZIPXHYLXTEAB-UHFFFAOYSA-N144.0Ex 139.67(BP est) -36.58(MP est) ----(BP exp) ----(MP exp) BrC1CCOC1 -36.6PredN
OC(CC=CBr)7793151.003C4H7BrO4-bromobut-3-en-1-olN136OC(CC=CBr)InChI=1S/C4H7BrO/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=HWSVHRDXHIRTMJ-UHFFFAOYSA-N191.6Ex 191.63(BP est) -12.28(MP est) ----(BP exp) ----(MP exp) OC(CC=CBr) -12.3PredN
OC(C)(C=CBr)7794151.003C4H7BrO4-bromobut-3-en-2-olN136OC(C)(C=CBr)InChI=1S/C4H7BrO/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=WQEPRWPPMOXXNC-UHFFFAOYSA-N172.5Ex 172.45(BP est) -25.37(MP est) ----(BP exp) ----(MP exp) OC(C)(C=CBr) -25.4PredN
CC(CCBr)=O7795151.003C4H7BrO4-bromobutan-2-oneN136CC(CCBr)=OInChI=1S/C4H7BrO/c1-4(6)2-3-5/h2-3H2,1H3InChIKey=HVVXCLMUSGOZNO-UHFFFAOYSA-N147.0Ex 147.04(BP est) -28.20(MP est) ----(BP exp) ----(MP exp) CC(CCBr)=O -28.2PredN
O=CCCCBr7796151.003C4H7BrO4-bromobutanalN136O=CCCCBrInChI=1S/C4H7BrO/c5-3-1-2-4-6/h4H,1-3H2InChIKey=GMZBZKVJMOEKGM-UHFFFAOYSA-N159.8Ex 159.79(BP est) -28.44(MP est) ----(BP exp) ----(MP exp) O=CCCCBr -28.4PredN
OC(Br)C(C1)(C1)7797151.003C4H7BrObromo(cyclopropyl)methanolN136OC(Br)C(C1)(C1)InChI=1S/C4H7BrO/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=AKGNCCFKMGNGKU-UHFFFAOYSA-N169.5Ex 169.53(BP est) -14.72(MP est) ----(BP exp) ----(MP exp) OC(Br)C(C1)(C1) -14.7PredN
NNC(Br)(C=C)7798151.007C3H7BrN2(1-bromoallyl)hydrazineN136NNC(Br)(C=C)InChI=1S/C3H7BrN2/c1-2-3(4)6-5/h2-3,6H,1,5H2InChIKey=AMAFKLGGPNMKBQ-UHFFFAOYSA-N166.4Ex 166.43(BP est) 6.44(MP est) ----(BP exp) ----(MP exp) NNC(Br)(C=C) 6.4PredN
NNC(Br)(C1)(C1)7799151.007C3H7BrN2(1-bromocyclopropyl)hydrazineN136NNC(Br)(C1)(C1)InChI=1S/C3H7BrN2/c4-3(6-5)1-2-3/h6H,1-2,5H2InChIKey=ACGFEDUJBJQFHS-UHFFFAOYSA-N173.2Ex 173.23(BP est) 12.61(MP est) ----(BP exp) ----(MP exp) NNC(Br)(C1)(C1) 12.6PredN
NNC(C(Br)=C)7800151.007C3H7BrN2(2-bromoallyl)hydrazineN136NNC(C(Br)=C)InChI=1S/C3H7BrN2/c1-3(4)2-6-5/h6H,1-2,5H2InChIKey=NFBOFZKMUUZTHN-UHFFFAOYSA-N173.4Ex 173.43(BP est) 9.01(MP est) ----(BP exp) ----(MP exp) NNC(C(Br)=C) 9PredN
NNC(C1)(C1Br)7801151.007C3H7BrN2(2-bromocyclopropyl)hydrazineN136NNC(C1)(C1Br)InChI=1S/C3H7BrN2/c4-2-1-3(2)6-5/h2-3,6H,1,5H2InChIKey=UFDPTSZFBUKGKD-UHFFFAOYSA-N178.2Ex 178.22(BP est) 25.11(MP est) ----(BP exp) ----(MP exp) NNC(C1)(C1Br) 25.1PredN
NNC(C=CBr)7802151.007C3H7BrN2(3-bromoallyl)hydrazineN136NNC(C=CBr)InChI=1S/C3H7BrN2/c4-2-1-3-6-5/h1-2,6H,3,5H2InChIKey=QVDXXDBEKYIOKF-UHFFFAOYSA-N187.1Ex 187.06(BP est) 18.31(MP est) ----(BP exp) ----(MP exp) NNC(C=CBr) 18.3PredN
SC(C#C)Br7803151.021C3H3BrS1-bromoprop-2-yne-1-thiolN85SC(C#C)BrInChI=1S/C3H3BrS/c1-2-3(4)5/h1,3,5HInChIKey=XJFSHZKOHRHPBS-UHFFFAOYSA-N152.8Ex 152.80(BP est) -22.90(MP est) ----(BP exp) ----(MP exp) SC(C#C)Br -22.9PredN
BrCC1=CS17804151.021C3H3BrS2-(bromomethyl)thiireneN85BrCC1=CS1InChI=1S/C3H3BrS/c4-1-3-2-5-3/h2H,1H2InChIKey=MMCSAGBQMHIHPK-UHFFFAOYSA-N153.9Ex 153.86(BP est) -0.35(MP est) ----(BP exp) ----(MP exp) BrCC1=CS1 -0.4PredN
BrC(S1)=C1C7805151.021C3H3BrS2-bromo-3-methylthiireneN85BrC(S1)=C1CInChI=1S/C3H3BrS/c1-2-3(4)5-2/h1H3InChIKey=YBNBNKFRNWWDRE-UHFFFAOYSA-N152.0Ex 151.97(BP est) 5.36(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1C 5.4PredN
SC(C#CBr)7806151.021C3H3BrS3-bromoprop-2-yne-1-thiolN85SC(C#CBr)InChI=1S/C3H3BrS/c4-2-1-3-5/h5H,3H2InChIKey=SHYQORXKKSCPIB-UHFFFAOYSA-N173.8Ex 173.79(BP est) 20.29(MP est) ----(BP exp) ----(MP exp) SC(C#CBr) 20.3PredN
CC(C)(CBr)C7807151.047C5H11Br1-bromo-2,2-dimethylpropaneN176CC(C)(CBr)CInChI=1S/C5H11Br/c1-5(2,3)4-6/h4H2,1-3H3InChIKey=CQWYAXCOVZKLHY-UHFFFAOYSA-N106.0Ex 102.00(BP est) -59.47(MP est) 106.00(BP exp) ----(MP exp) CC(C)(CBr)C -59.5PredN
CC(CC)CBr7808151.047C5H11Br1-bromo-2-methylbutaneN176CC(CC)CBrInChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3InChIKey=XKVLZBNEPALHIO-UHFFFAOYSA-N117.8Ex 111.42(BP est) -65.43(MP est) 121.60(BP exp) ----(MP exp) CC(CC)CBr -65.4PredY(Kladi et al. 2004)
CC(CCBr)C7809151.047C5H11Br1-bromo-3-methylbutaneN176CC(CCBr)CInChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3InChIKey=YXZFFTJAHVMMLF-UHFFFAOYSA-N120.3Ex 111.42(BP est) -65.43(MP est) 120.40(BP exp) -112.00(MP exp) CC(CCBr)C -112ExptN
CCCCCBr7810151.047C5H11Br1-bromopentaneN176CCCCCBrInChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3InChIKey=YZWKKMVJZFACSU-UHFFFAOYSA-N129.7Ex 125.48(BP est) -53.82(MP est) 129.80(BP exp) -95.00(MP exp) CCCCCBr -95ExptY(Gribble 2003)
BrC(C)(CC)C7811151.047C5H11Br2-bromo-2-methylbutaneN176BrC(C)(CC)CInChI=1S/C5H11Br/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=JOUWCKCVTDSMHF-UHFFFAOYSA-N107.0Ex 102.00(BP est) -59.47(MP est) 108.00(BP exp) ----(MP exp) BrC(C)(CC)C -59.5PredN
CC(C(C)Br)C7812151.047C5H11Br2-bromo-3-methylbutaneN176CC(C(C)Br)CInChI=1S/C5H11Br/c1-4(2)5(3)6/h4-5H,1-3H3InChIKey=BLGVDCMNIAOLHA-UHFFFAOYSA-N115.3Ex 97.03(BP est) -77.13(MP est) ----(BP exp) ----(MP exp) CC(C(C)Br)C -77.1PredN
CCCC(C)Br7813151.047C5H11Br2-bromopentaneN176CCCC(C)BrInChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3InChIKey=LGAJYTCRJPCZRJ-UHFFFAOYSA-N117.1Ex 111.42(BP est) -65.43(MP est) 117.40(BP exp) -95.50(MP exp) CCCC(C)Br -95.5ExptN
CCC(CC)Br7814151.047C5H11Br3-bromopentaneN176CCC(CC)BrInChI=1S/C5H11Br/c1-3-5(6)4-2/h5H,3-4H2,1-2H3InChIKey=VTOQFOCYBTVOJZ-UHFFFAOYSA-N118.8Ex 111.42(BP est) -65.43(MP est) 118.60(BP exp) -126.20(MP exp) CCC(CC)Br -126.2ExptN
ClC(Cl)(P)Cl7818151.351CH2Cl3P(trichloromethyl)phosphaneN75ClC(Cl)(P)ClInChI=1S/CH2Cl3P/c2-1(3,4)5/h5H2InChIKey=NYOFJAZWVKPEFD-UHFFFAOYSA-N103.3Ex 103.34(BP est) -50.95(MP est) ----(BP exp) ----(MP exp) ClC(Cl)(P)Cl -51PredN
C(F)(C(Cl)(Cl)Cl)7819151.386C2H2Cl3F1,1,1-trichloro-2-fluoroethaneN86C(F)(C(Cl)(Cl)Cl)InChI=1S/C2H2Cl3F/c3-2(4,5)1-6/h1H2InChIKey=ZXUJWPHOPHHZLR-UHFFFAOYSA-N93.0Ex 68.11(BP est) -70.99(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)(Cl)Cl) -71PredN
C(Cl)(C(Cl)(Cl)F)7820151.386C2H2Cl3F1,1,2-trichloro-1-fluoroethaneN86C(Cl)(C(Cl)(Cl)F)InChI=1S/C2H2Cl3F/c3-1-2(4,5)6/h1H2InChIKey=ZKVMMSGRDBQIOQ-UHFFFAOYSA-N87.9Ex 95.04(BP est) -63.13(MP est) 88.00(BP exp) -140.00(MP exp) C(Cl)(C(Cl)(Cl)F) -140ExptN
C(Cl)(Cl)(C(Cl)F)7821151.386C2H2Cl3F1,1,2-trichloro-2-fluoroethaneN86C(Cl)(Cl)(C(Cl)F)InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2HInChIKey=ORMSTDJYMPIZAO-UHFFFAOYSA-N101.8Ex 103.12(BP est) -76.98(MP est) 46.50(BP exp) ----(MP exp) C(Cl)(Cl)(C(Cl)F) -77PredN
SC(Cl)(Cl)Cl7822151.429CHCl3StrichloromethanethiolN65SC(Cl)(Cl)ClInChI=1S/CHCl3S/c2-1(3,4)5/h5HInChIKey=ILSVYQNRDXIWLK-UHFFFAOYSA-N125.3Ex 125.25(BP est) -42.01(MP est) ----(BP exp) ----(MP exp) SC(Cl)(Cl)Cl -42PredN
C#CI7824151.934C2HIiodoethyneN43C#CIInChI=1S/C2HI/c1-2-3/h1HInChIKey=JCIVIRQSXLTMEF-UHFFFAOYSA-N97.5Ex 97.46(BP est) -56.29(MP est) ----(BP exp) ----(MP exp) C#CI -56.3PredN
NC(Br)(F)(C#C)7825151.966C3H3BrFN1-bromo-1-fluoroprop-2-yn-1-amineN96NC(Br)(F)(C#C)InChI=1S/C3H3BrFN/c1-2-3(4,5)6/h1H,6H2InChIKey=DPUVLHCTNDYDPI-UHFFFAOYSA-N127.8Ex 127.80(BP est) 2.21(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(C#C) 2.2PredN
NC(Br)(C#CF)7826151.966C3H3BrFN1-bromo-3-fluoroprop-2-yn-1-amineN96NC(Br)(C#CF)InChI=1S/C3H3BrFN/c4-3(6)1-2-5/h3H,6H2InChIKey=URIWVMBNYDZXBG-UHFFFAOYSA-N145.2Ex 145.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) NC(Br)(C#CF) 28.1PredN
BrC(F)C1=CN17827151.966C3H3BrFN2-(bromofluoromethyl)-1H-azirineN96BrC(F)C1=CN1InChI=1S/C3H3BrFN/c4-3(5)2-1-6-2/h1,3,6HInChIKey=LFOUPYCNTMKVQI-UHFFFAOYSA-N139.4Ex 139.44(BP est) 2.02(MP est) ----(BP exp) ----(MP exp) BrC(F)C1=CN1 2PredN
FC(N1)=C1CBr7828151.966C3H3BrFN2-(bromomethyl)-3-fluoro-1H-azirineN96FC(N1)=C1CBrInChI=1S/C3H3BrFN/c4-1-2-3(5)6-2/h6H,1H2InChIKey=LOCNULXSHHKHTQ-UHFFFAOYSA-N151.0Ex 150.95(BP est) 19.14(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1CBr 19.1PredN
BrC(N1)=C1CF7829151.966C3H3BrFN2-bromo-3-(fluoromethyl)-1H-azirineN96BrC(N1)=C1CFInChI=1S/C3H3BrFN/c4-3-2(1-5)6-3/h6H,1H2InChIKey=RTOWCMGINISWJQ-UHFFFAOYSA-N151.0Ex 150.95(BP est) 19.14(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1CF 19.1PredN
NC(F)(C#CBr)7830151.966C3H3BrFN3-bromo-1-fluoroprop-2-yn-1-amineN96NC(F)(C#CBr)InChI=1S/C3H3BrFN/c4-2-1-3(5)6/h3H,6H2InChIKey=JHKXKQYQBXBYCT-UHFFFAOYSA-N145.2Ex 145.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) NC(F)(C#CBr) 28.1PredN
BrCON1CC17842151.991C3H6BrNO1-(bromomethoxy)aziridineN126BrCON1CC1InChI=1S/C3H6BrNO/c4-3-6-5-1-2-5/h1-3H2InChIKey=JVSSBGFPNPMYIT-UHFFFAOYSA-N140.7Ex 140.66(BP est) -2.38(MP est) ----(BP exp) ----(MP exp) BrCON1CC1 -2.4PredN
BrCN1CCO17843151.991C3H6BrNO2-(bromomethyl)-1,2-oxazetidineN126BrCN1CCO1InChI=1S/C3H6BrNO/c4-3-5-1-2-6-5/h1-3H2InChIKey=CFSFEVBNEGBPIK-UHFFFAOYSA-N147.9Ex 147.86(BP est) 0.13(MP est) ----(BP exp) ----(MP exp) BrCN1CCO1 0.1PredN
BrC1N(OC)C17844151.991C3H6BrNO2-bromo-1-methoxyaziridineN126BrC1N(OC)C1InChI=1S/C3H6BrNO/c1-6-5-2-3(5)4/h3H,2H2,1H3InChIKey=AVPINLLIZCPUCM-UHFFFAOYSA-N134.1Ex 134.12(BP est) -6.41(MP est) ----(BP exp) ----(MP exp) BrC1N(OC)C1 -6.4PredN
BrC1N(O)CC17845151.991C3H6BrNO2-bromoazetidin-1-olN126BrC1N(O)CC1InChI=1S/C3H6BrNO/c4-3-1-2-5(3)6/h3,6H,1-2H2InChIKey=RNVRBLCHDRKQBB-UHFFFAOYSA-N262.8Ex 262.78(BP est) 53.69(MP est) ----(BP exp) ----(MP exp) BrC1N(O)CC1 53.7PredN
BrCC(NC)=O7846151.991C3H6BrNO2-bromo-N-methylacetamideN126BrCC(NC)=OInChI=1S/C3H6BrNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)InChIKey=LBVZINOLAFTARU-UHFFFAOYSA-N252.6Ex 252.63(BP est) 56.37(MP est) ----(BP exp) ----(MP exp) BrCC(NC)=O 56.4PredN
BrC(C(N)=O)C7847151.991C3H6BrNO2-bromopropanamideN126BrC(C(N)=O)CInChI=1S/C3H6BrNO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)InChIKey=AUHYZQCEIVEMFH-UHFFFAOYSA-N247.5Ex 247.53(BP est) 55.73(MP est) ----(BP exp) ----(MP exp) BrC(C(N)=O)C 55.7PredN
CN1C(Br)CO17848151.991C3H6BrNO3-bromo-2-methyl-1,2-oxazetidineN126CN1C(Br)CO1InChI=1S/C3H6BrNO/c1-5-3(4)2-6-5/h3H,2H2,1H3InChIKey=CDBRTFUOYQLKIN-UHFFFAOYSA-N141.4Ex 141.40(BP est) -3.87(MP est) ----(BP exp) ----(MP exp) CN1C(Br)CO1 -3.9PredN
BrC1CN(O)C17849151.991C3H6BrNO3-bromoazetidin-1-olN126BrC1CN(O)C1InChI=1S/C3H6BrNO/c4-3-1-5(6)2-3/h3,6H,1-2H2InChIKey=FBWFKVUGNRALPL-UHFFFAOYSA-N262.8Ex 262.78(BP est) 53.69(MP est) ----(BP exp) ----(MP exp) BrC1CN(O)C1 53.7PredN
BrC1NOCC17850151.991C3H6BrNO3-bromoisoxazolidineN126BrC1NOCC1InChI=1S/C3H6BrNO/c4-3-1-2-6-5-3/h3,5H,1-2H2InChIKey=OETQXPMPOXDSTH-UHFFFAOYSA-N174.8Ex 174.76(BP est) 20.54(MP est) ----(BP exp) ----(MP exp) BrC1NOCC1 20.5PredN
BrCCC(N)=O7851151.991C3H6BrNO3-bromopropanamideN126BrCCC(N)=OInChI=1S/C3H6BrNO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)InChIKey=DBIVLAVBOICUQX-UHFFFAOYSA-N258.0Ex 257.99(BP est) 64.06(MP est) ----(BP exp) ----(MP exp) BrCCC(N)=O 64.1PredN
CN1CC(Br)O17852151.991C3H6BrNO4-bromo-2-methyl-1,2-oxazetidineN126CN1CC(Br)O1InChI=1S/C3H6BrNO/c1-5-2-3(4)6-5/h3H,2H2,1H3InChIKey=IWVDVMRCOVCPKK-UHFFFAOYSA-N141.4Ex 141.40(BP est) -3.87(MP est) ----(BP exp) ----(MP exp) CN1CC(Br)O1 -3.9PredN
BrC1CNOC17853151.991C3H6BrNO4-bromoisoxazolidineN126BrC1CNOC1InChI=1S/C3H6BrNO/c4-3-1-5-6-2-3/h3,5H,1-2H2InChIKey=FYWRPVZPVYZQOW-UHFFFAOYSA-N174.8Ex 174.76(BP est) 20.54(MP est) ----(BP exp) ----(MP exp) BrC1CNOC1 20.5PredN
BrC1ONCC17854151.991C3H6BrNO5-bromoisoxazolidineN126BrC1ONCC1InChI=1S/C3H6BrNO/c4-3-1-2-5-6-3/h3,5H,1-2H2InChIKey=IJBAWPMPBJASQO-UHFFFAOYSA-N174.8Ex 174.76(BP est) 20.54(MP est) ----(BP exp) ----(MP exp) BrC1ONCC1 20.5PredN
BrC(C=C)NO7855151.991C3H6BrNON-(1-bromoallyl)hydroxylamineN126BrC(C=C)NOInChI=1S/C3H6BrNO/c1-2-3(4)5-6/h2-3,5-6H,1H2InChIKey=ZMWUKHGMAOXTJR-UHFFFAOYSA-N204.0Ex 204.02(BP est) 6.20(MP est) ----(BP exp) ----(MP exp) BrC(C=C)NO 6.2PredN
CN(O)C(Br)=C7856151.991C3H6BrNON-(1-bromovinyl)-N-methylhydroxylamineN126CN(O)C(Br)=CInChI=1S/C3H6BrNO/c1-3(4)5(2)6/h6H,1H2,2H3InChIKey=LWUJFIQMFFJRGJ-UHFFFAOYSA-N254.0Ex 253.95(BP est) 34.28(MP est) ----(BP exp) ----(MP exp) CN(O)C(Br)=C 34.3PredN
BrC(NOC)=C7857151.991C3H6BrNON-(1-bromovinyl)-O-methylhydroxylamineN126BrC(NOC)=CInChI=1S/C3H6BrNO/c1-3(4)5-6-2/h5H,1H2,2H3InChIKey=ZZTJBUNSYPHNCR-UHFFFAOYSA-N138.3Ex 138.26(BP est) -31.78(MP est) ----(BP exp) ----(MP exp) BrC(NOC)=C -31.8PredN
BrC(CNO)=C7858151.991C3H6BrNON-(2-bromoallyl)hydroxylamineN126BrC(CNO)=CInChI=1S/C3H6BrNO/c1-3(4)2-5-6/h5-6H,1-2H2InChIKey=GAUFGBNWOLVATR-UHFFFAOYSA-N210.5Ex 210.48(BP est) 8.60(MP est) ----(BP exp) ----(MP exp) BrC(CNO)=C 8.6PredN
BrC=CN(O)C7859151.991C3H6BrNON-(2-bromovinyl)-N-methylhydroxylamineN126BrC=CN(O)CInChI=1S/C3H6BrNO/c1-5(6)3-2-4/h2-3,6H,1H3InChIKey=YRZQTDRXKUDOPW-UHFFFAOYSA-N265.1Ex 265.09(BP est) 42.85(MP est) ----(BP exp) ----(MP exp) BrC=CN(O)C 42.9PredN
BrC=CNOC7860151.991C3H6BrNON-(2-bromovinyl)-O-methylhydroxylamineN126BrC=CNOCInChI=1S/C3H6BrNO/c1-6-5-3-2-4/h2-3,5H,1H3InChIKey=YQQZXDCNKCZHQK-UHFFFAOYSA-N152.8Ex 152.84(BP est) -22.20(MP est) ----(BP exp) ----(MP exp) BrC=CNOC -22.2PredN
CC(NCBr)=O7861151.991C3H6BrNON-(bromomethyl)acetamideN126CC(NCBr)=OInChI=1S/C3H6BrNO/c1-3(6)5-2-4/h2H2,1H3,(H,5,6)InChIKey=JSZJAUWFAFGOET-UHFFFAOYSA-N252.6Ex 252.63(BP est) 56.37(MP est) ----(BP exp) ----(MP exp) CC(NCBr)=O 56.4PredN
BrCN(O)C=C7862151.991C3H6BrNON-(bromomethyl)-N-vinylhydroxylamineN126BrCN(O)C=CInChI=1S/C3H6BrNO/c1-2-5(6)3-4/h2,6H,1,3H2InChIKey=SIXPACRZHTXPPH-UHFFFAOYSA-N258.6Ex 258.63(BP est) 42.63(MP est) ----(BP exp) ----(MP exp) BrCN(O)C=C 42.6PredN
BrCNOC=C7863151.991C3H6BrNON-(bromomethyl)-O-vinylhydroxylamineN126BrCNOC=CInChI=1S/C3H6BrNO/c1-2-6-5-3-4/h2,5H,1,3H2InChIKey=AGIGBPOQRCGOOQ-UHFFFAOYSA-N144.4Ex 144.38(BP est) -23.01(MP est) ----(BP exp) ----(MP exp) BrCNOC=C -23PredN
NOC(C=C)Br7864151.991C3H6BrNOO-(1-bromoallyl)hydroxylamineN126NOC(C=C)BrInChI=1S/C3H6BrNO/c1-2-3(4)6-5/h2-3H,1,5H2InChIKey=MXKMOXJGYFXHSD-UHFFFAOYSA-N148.4Ex 148.36(BP est) -14.05(MP est) ----(BP exp) ----(MP exp) NOC(C=C)Br -14.1PredN
CNOC(Br)=C7865151.991C3H6BrNOO-(1-bromovinyl)-N-methylhydroxylamineN126CNOC(Br)=CInChI=1S/C3H6BrNO/c1-3(4)6-5-2/h5H,1H2,2H3InChIKey=XLEJNVARIXITDS-UHFFFAOYSA-N138.3Ex 138.26(BP est) -31.78(MP est) ----(BP exp) ----(MP exp) CNOC(Br)=C -31.8PredN
NOCC(Br)=C7866151.991C3H6BrNOO-(2-bromoallyl)hydroxylamineN126NOCC(Br)=CInChI=1S/C3H6BrNO/c1-3(4)2-6-5/h1-2,5H2InChIKey=PJBYTQTXQOJFTR-UHFFFAOYSA-N155.6Ex 155.61(BP est) -11.41(MP est) ----(BP exp) ----(MP exp) NOCC(Br)=C -11.4PredN
CNOC=CBr7867151.991C3H6BrNOO-(2-bromovinyl)-N-methylhydroxylamineN126CNOC=CBrInChI=1S/C3H6BrNO/c1-5-6-3-2-4/h2-3,5H,1H3InChIKey=YTEREDYODYDAFF-UHFFFAOYSA-N152.8Ex 152.84(BP est) -22.20(MP est) ----(BP exp) ----(MP exp) CNOC=CBr -22.2PredN
NOCC=CBr7868151.991C3H6BrNOO-(3-bromoallyl)hydroxylamineN126NOCC=CBrInChI=1S/C3H6BrNO/c4-2-1-3-6-5/h1-2H,3,5H2InChIKey=RUYIQFZGZHHJRC-UHFFFAOYSA-N169.7Ex 169.73(BP est) -1.97(MP est) ----(BP exp) ----(MP exp) NOCC=CBr -2PredN
C=CNOCBr7869151.991C3H6BrNOO-(bromomethyl)-N-vinylhydroxylamineN126C=CNOCBrInChI=1S/C3H6BrNO/c1-2-5-6-3-4/h2,5H,1,3H2InChIKey=DPSHQDRMGZKXBW-UHFFFAOYSA-N144.4Ex 144.38(BP est) -23.01(MP est) ----(BP exp) ----(MP exp) C=CNOCBr -23PredN
NC(C(C)C)Br7870152.035C4H10BrN1-bromo-2-methylpropan-1-amineN166NC(C(C)C)BrInChI=1S/C4H10BrN/c1-3(2)4(5)6/h3-4H,6H2,1-2H3InChIKey=WZEZJVUKBGDQKK-UHFFFAOYSA-N135.7Ex 135.67(BP est) -29.85(MP est) ----(BP exp) ----(MP exp) NC(C(C)C)Br -29.9PredN
NC(C)(CBr)C7871152.035C4H10BrN1-bromo-2-methylpropan-2-amineN166NC(C)(CBr)CInChI=1S/C4H10BrN/c1-4(2,6)3-5/h3,6H2,1-2H3InChIKey=NONIANXHVMHSLE-UHFFFAOYSA-N140.3Ex 140.32(BP est) -12.28(MP est) ----(BP exp) ----(MP exp) NC(C)(CBr)C -12.3PredN
NC(CCC)Br7872152.035C4H10BrN1-bromobutan-1-amineN166NC(CCC)BrInChI=1S/C4H10BrN/c1-2-3-4(5)6/h4H,2-3,6H2,1H3InChIKey=SLENVLYNQSIDDT-UHFFFAOYSA-N149.2Ex 149.15(BP est) -18.42(MP est) ----(BP exp) ----(MP exp) NC(CCC)Br -18.4PredN
NC(CC)CBr7873152.035C4H10BrN1-bromobutan-2-amineN166NC(CC)CBrInChI=1S/C4H10BrN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3InChIKey=ZCYBVLZJPVXKAV-UHFFFAOYSA-N149.2Ex 149.15(BP est) -18.42(MP est) ----(BP exp) ----(MP exp) NC(CC)CBr -18.4PredN
CN(C(C)Br)C7874152.035C4H10BrN1-bromo-N,N-dimethylethan-1-amineN166CN(C(C)Br)CInChI=1S/C4H10BrN/c1-4(5)6(2)3/h4H,1-3H3InChIKey=OGTSMTKQWJXVEN-UHFFFAOYSA-N110.8Ex 110.76(BP est) -55.02(MP est) ----(BP exp) ----(MP exp) CN(C(C)Br)C -55PredN
CCNC(C)Br7875152.035C4H10BrN1-bromo-N-ethylethan-1-amineN166CCNC(C)BrInChI=1S/C4H10BrN/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=YFJCRTHHDBDPEI-UHFFFAOYSA-N131.6Ex 131.59(BP est) -38.84(MP est) ----(BP exp) ----(MP exp) CCNC(C)Br -38.8PredN
CNC(CC)Br7876152.035C4H10BrN1-bromo-N-methylpropan-1-amineN166CNC(CC)BrInChI=1S/C4H10BrN/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=FDLWKDAOQGQBDF-UHFFFAOYSA-N131.6Ex 131.59(BP est) -38.84(MP est) ----(BP exp) ----(MP exp) CNC(CC)Br -38.8PredN
CNC(CBr)C7877152.035C4H10BrN1-bromo-N-methylpropan-2-amineN166CNC(CBr)CInChI=1S/C4H10BrN/c1-4(3-5)6-2/h4,6H,3H2,1-2H3InChIKey=HHVFEEDHYACWJD-UHFFFAOYSA-N131.6Ex 131.59(BP est) -38.84(MP est) ----(BP exp) ----(MP exp) CNC(CBr)C -38.8PredN
NCC(C)(C)Br7878152.035C4H10BrN2-bromo-2-methylpropan-1-amineN166NCC(C)(C)BrInChI=1S/C4H10BrN/c1-4(2,5)3-6/h3,6H2,1-2H3InChIKey=SDVZYNVSZLYGTL-UHFFFAOYSA-N140.3Ex 140.32(BP est) -12.28(MP est) ----(BP exp) ----(MP exp) NCC(C)(C)Br -12.3PredN
NCC(CC)Br7879152.035C4H10BrN2-bromobutan-1-amineN166NCC(CC)BrInChI=1S/C4H10BrN/c1-2-4(5)3-6/h4H,2-3,6H2,1H3InChIKey=ZIMSTBRANRBJKI-UHFFFAOYSA-N149.2Ex 149.15(BP est) -18.42(MP est) ----(BP exp) ----(MP exp) NCC(CC)Br -18.4PredN
NC(C)(CC)Br7880152.035C4H10BrN2-bromobutan-2-amineN166NC(C)(CC)BrInChI=1S/C4H10BrN/c1-3-4(2,5)6/h3,6H2,1-2H3InChIKey=IKYPLULGXLLAMQ-UHFFFAOYSA-N140.3Ex 140.32(BP est) -12.28(MP est) ----(BP exp) ----(MP exp) NC(C)(CC)Br -12.3PredN
CN(CCBr)C7881152.035C4H10BrN2-bromo-N,N-dimethylethan-1-amineN166CN(CCBr)CInChI=1S/C4H10BrN/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=LVCHXPHUKPLVRQ-UHFFFAOYSA-N124.8Ex 124.83(BP est) -43.41(MP est) ----(BP exp) ----(MP exp) CN(CCBr)C -43.4PredN
CCNCCBr7882152.035C4H10BrN2-bromo-N-ethylethan-1-amineN166CCNCCBrInChI=1S/C4H10BrN/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=WDJFFVCOSRUERU-UHFFFAOYSA-N145.2Ex 145.18(BP est) -27.38(MP est) ----(BP exp) ----(MP exp) CCNCCBr -27.4PredN
CNCC(C)Br7883152.035C4H10BrN2-bromo-N-methylpropan-1-amineN166CNCC(C)BrInChI=1S/C4H10BrN/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=KWBUVWFIMOHGCZ-UHFFFAOYSA-N131.6Ex 131.59(BP est) -38.84(MP est) ----(BP exp) ----(MP exp) CNCC(C)Br -38.8PredN
CNC(C)(C)Br7884152.035C4H10BrN2-bromo-N-methylpropan-2-amineN166CNC(C)(C)BrInChI=1S/C4H10BrN/c1-4(2,5)6-3/h6H,1-3H3InChIKey=PEDNVXFURAUHIY-UHFFFAOYSA-N122.5Ex 122.48(BP est) -32.79(MP est) ----(BP exp) ----(MP exp) CNC(C)(C)Br -32.8PredN
NCC(CBr)C7885152.035C4H10BrN3-bromo-2-methylpropan-1-amineN166NCC(CBr)CInChI=1S/C4H10BrN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3InChIKey=JHKIYQIGPGGIMG-UHFFFAOYSA-N149.2Ex 149.15(BP est) -18.42(MP est) ----(BP exp) ----(MP exp) NCC(CBr)C -18.4PredN
NCCC(C)Br7886152.035C4H10BrN3-bromobutan-1-amineN166NCCC(C)BrInChI=1S/C4H10BrN/c1-4(5)2-3-6/h4H,2-3,6H2,1H3InChIKey=YCLCLQBXCBOFNA-UHFFFAOYSA-N149.2Ex 149.15(BP est) -18.42(MP est) ----(BP exp) ----(MP exp) NCCC(C)Br -18.4PredN
NC(C(C)Br)C7887152.035C4H10BrN3-bromobutan-2-amineN166NC(C(C)Br)CInChI=1S/C4H10BrN/c1-3(5)4(2)6/h3-4H,6H2,1-2H3InChIKey=INJIQMGWSVPZFJ-UHFFFAOYSA-N135.7Ex 135.67(BP est) -29.85(MP est) ----(BP exp) ----(MP exp) NC(C(C)Br)C -29.9PredN
CNCCCBr7888152.035C4H10BrN3-bromo-N-methylpropan-1-amineN166CNCCCBrInChI=1S/C4H10BrN/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=NZWJRYHLFNPHFU-UHFFFAOYSA-N145.2Ex 145.18(BP est) -27.38(MP est) ----(BP exp) ----(MP exp) CNCCCBr -27.4PredN
NC(CCCBr)7889152.035C4H10BrN4-bromobutan-1-amineN166NC(CCCBr)InChI=1S/C4H10BrN/c5-3-1-2-4-6/h1-4,6H2InChIKey=MVZBYZAIKPPGSW-UHFFFAOYSA-N162.3Ex 162.31(BP est) -7.07(MP est) ----(BP exp) ----(MP exp) NC(CCCBr) -7.1PredN
NC(CCBr)C7890152.035C4H10BrN4-bromobutan-2-amineN166NC(CCBr)CInChI=1S/C4H10BrN/c1-4(6)2-3-5/h4H,2-3,6H2,1H3InChIKey=OKRCTNSULKABMB-UHFFFAOYSA-N149.2Ex 149.15(BP est) -18.42(MP est) ----(BP exp) ----(MP exp) NC(CCBr)C -18.4PredN
CN(CC)CBr7891152.035C4H10BrNN-(bromomethyl)-N-methylethanamineN166CN(CC)CBrInChI=1S/C4H10BrN/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=NEQPWYMSFAWJDT-UHFFFAOYSA-N124.8Ex 124.83(BP est) -43.41(MP est) ----(BP exp) ----(MP exp) CN(CC)CBr -43.4PredN
BrCNCCC7892152.035C4H10BrNN-(bromomethyl)propan-1-amineN166BrCNCCCInChI=1S/C4H10BrN/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=JTBIWYGQFLNQJO-UHFFFAOYSA-N145.2Ex 145.18(BP est) -27.38(MP est) ----(BP exp) ----(MP exp) BrCNCCC -27.4PredN
BrCNC(C)C7893152.035C4H10BrNN-(bromomethyl)propan-2-amineN166BrCNC(C)CInChI=1S/C4H10BrN/c1-4(2)6-3-5/h4,6H,3H2,1-2H3InChIKey=MNKDGJTZTVHCDA-UHFFFAOYSA-N131.6Ex 131.59(BP est) -38.84(MP est) ----(BP exp) ----(MP exp) BrCNC(C)C -38.8PredN
O=PC(Br)=C7903152.915C2H2BrOP(1-bromovinyl)(oxo)phosphaneN75O=PC(Br)=CInChI=1S/C2H2BrOP/c1-2(3)5-4/h1H2InChIKey=AGIFHHCUCDOMGS-UHFFFAOYSA-N151.9Ex 151.87(BP est) -37.70(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=C -37.7PredN
O=PC=CBr7904152.915C2H2BrOP(2-bromovinyl)(oxo)phosphaneN75O=PC=CBrInChI=1S/C2H2BrOP/c3-1-2-5-4/h1-2HInChIKey=TWHZIOSKNZNOMY-UHFFFAOYSA-N166.1Ex 166.09(BP est) -28.22(MP est) ----(BP exp) ----(MP exp) O=PC=CBr -28.2PredN
OC(Br)(F)(C#C)7906152.95C3H2BrFO1-bromo-1-fluoroprop-2-yn-1-olN86OC(Br)(F)(C#C)InChI=1S/C3H2BrFO/c1-2-3(4,5)6/h1,6HInChIKey=GSRGWISBMSCVFB-UHFFFAOYSA-N134.7Ex 134.72(BP est) -6.99(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(C#C) -7PredN
OC(Br)(C#CF)7907152.95C3H2BrFO1-bromo-3-fluoroprop-2-yn-1-olN86OC(Br)(C#CF)InChI=1S/C3H2BrFO/c4-3(6)1-2-5/h3,6HInChIKey=ABUCRJLULLKZNV-UHFFFAOYSA-N162.1Ex 162.08(BP est) 21.85(MP est) ----(BP exp) ----(MP exp) OC(Br)(C#CF) 21.9PredN
BrC(F)C1=CO17908152.95C3H2BrFO2-(bromofluoromethyl)oxireneN86BrC(F)C1=CO1InChI=1S/C3H2BrFO/c4-3(5)2-1-6-2/h1,3HInChIKey=RNPNQLSZIFPFAD-UHFFFAOYSA-N108.4Ex 108.42(BP est) -46.26(MP est) ----(BP exp) ----(MP exp) BrC(F)C1=CO1 -46.3PredN
FC(O1)=C1CBr7909152.95C3H2BrFO2-(bromomethyl)-3-fluorooxireneN86FC(O1)=C1CBrInChI=1S/C3H2BrFO/c4-1-2-3(5)6-2/h1H2InChIKey=RIHYQTYREPJYHK-UHFFFAOYSA-N120.6Ex 120.56(BP est) -28.96(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1CBr -29PredN
BrC(O1)=C1CF7910152.95C3H2BrFO2-bromo-3-(fluoromethyl)oxireneN86BrC(O1)=C1CFInChI=1S/C3H2BrFO/c4-3-2(1-5)6-3/h1H2InChIKey=KIKVPHBXTXIJNK-UHFFFAOYSA-N120.6Ex 120.56(BP est) -28.96(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1CF -29PredN
C(=O)C(Br)=C(F)7911152.95C3H2BrFO2-bromo-3-fluoroacrylaldehydeN86C(=O)C(Br)=C(F)InChI=1S/C3H2BrFO/c4-3(1-5)2-6/h1-2HInChIKey=ASNCPFNGDKWEEA-UHFFFAOYSA-N140.7Ex 140.67(BP est) -48.88(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)=C(F) -48.9PredN
OC(F)(C#CBr)7912152.95C3H2BrFO3-bromo-1-fluoroprop-2-yn-1-olN86OC(F)(C#CBr)InChI=1S/C3H2BrFO/c4-2-1-3(5)6/h3,6HInChIKey=WAUDULXQWNWHEB-UHFFFAOYSA-N162.1Ex 162.08(BP est) 21.85(MP est) ----(BP exp) ----(MP exp) OC(F)(C#CBr) 21.9PredN
C(=O)C(F)=C(Br)7913152.95C3H2BrFO3-bromo-2-fluoroacrylaldehydeN86C(=O)C(F)=C(Br)InChI=1S/C3H2BrFO/c4-1-3(5)2-6/h1-2HInChIKey=DNVUURVJSSNKDS-UHFFFAOYSA-N140.7Ex 140.67(BP est) -48.88(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)=C(Br) -48.9PredN
C(=O)C=C(Br)(F)7914152.95C3H2BrFO3-bromo-3-fluoroacrylaldehydeN86C(=O)C=C(Br)(F)InChI=1S/C3H2BrFO/c4-3(5)1-2-6/h1-2HInChIKey=ABXWSIDFEIQGOL-UHFFFAOYSA-N140.7Ex 140.67(BP est) -48.88(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(Br)(F) -48.9PredN
BrC(P)C=C7915152.959C3H6BrP(1-bromoallyl)phosphaneN115BrC(P)C=CInChI=1S/C3H6BrP/c1-2-3(4)5/h2-3H,1,5H2InChIKey=IBELAXPGZMCGHW-UHFFFAOYSA-N122.1Ex 122.14(BP est) -58.76(MP est) ----(BP exp) ----(MP exp) BrC(P)C=C -58.8PredN
BrC1(P)CC17916152.959C3H6BrP(1-bromocyclopropyl)phosphaneN115BrC1(P)CC1InChI=1S/C3H6BrP/c4-3(5)1-2-3/h1-2,5H2InChIKey=ZSTSJHMNSVOIAU-UHFFFAOYSA-N129.5Ex 129.51(BP est) -27.31(MP est) ----(BP exp) ----(MP exp) BrC1(P)CC1 -27.3PredN
CPC(Br)=C7917152.959C3H6BrP(1-bromovinyl)(methyl)phosphaneN115CPC(Br)=CInChI=1S/C3H6BrP/c1-3(4)5-2/h5H,1H2,2H3InChIKey=UQXIYYBJLGOPCC-UHFFFAOYSA-N109.7Ex 109.74(BP est) -70.05(MP est) ----(BP exp) ----(MP exp) CPC(Br)=C -70.1PredN
BrC(CP)=C7918152.959C3H6BrP(2-bromoallyl)phosphaneN115BrC(CP)=CInChI=1S/C3H6BrP/c1-3(4)2-5/h1-2,5H2InChIKey=SUICNRRGDRUFQR-UHFFFAOYSA-N129.7Ex 129.73(BP est) -56.02(MP est) ----(BP exp) ----(MP exp) BrC(CP)=C -56PredN
BrC1C(P)C17919152.959C3H6BrP(2-bromocyclopropyl)phosphaneN115BrC1C(P)C1InChI=1S/C3H6BrP/c4-2-1-3(2)5/h2-3H,1,5H2InChIKey=KDHLTAUMQDAZPR-UHFFFAOYSA-N134.9Ex 134.93(BP est) -39.80(MP est) ----(BP exp) ----(MP exp) BrC1C(P)C1 -39.8PredN
CPC=CBr7920152.959C3H6BrP(2-bromovinyl)(methyl)phosphaneN115CPC=CBrInChI=1S/C3H6BrP/c1-5-3-2-4/h2-3,5H,1H3InChIKey=ZCMABSMHXKJHQH-UHFFFAOYSA-N125.1Ex 125.06(BP est) -60.26(MP est) ----(BP exp) ----(MP exp) CPC=CBr -60.3PredN
PCC=CBr7921152.959C3H6BrP(3-bromoallyl)phosphaneN115PCC=CBrInChI=1S/C3H6BrP/c4-2-1-3-5/h1-2H,3,5H2InChIKey=PMRIKSFGTVRFGA-UHFFFAOYSA-N144.5Ex 144.54(BP est) -46.38(MP est) ----(BP exp) ----(MP exp) PCC=CBr -46.4PredN
BrCPC=C7922152.959C3H6BrP(bromomethyl)(vinyl)phosphaneN115BrCPC=CInChI=1S/C3H6BrP/c1-2-5-3-4/h2,5H,1,3H2InChIKey=JRQKREAHROFFDW-UHFFFAOYSA-N116.2Ex 116.17(BP est) -61.19(MP est) ----(BP exp) ----(MP exp) BrCPC=C -61.2PredN
BrCP1CC17923152.959C3H6BrP1-(bromomethyl)phosphiraneN115BrCP1CC1InChI=1S/C3H6BrP/c4-3-5-1-2-5/h1-3H2InChIKey=WANAJMVUGZXJEZ-UHFFFAOYSA-N127.4Ex 127.37(BP est) -44.88(MP est) ----(BP exp) ----(MP exp) BrCP1CC1 -44.9PredN
CP1C(Br)C17924152.959C3H6BrP2-bromo-1-methylphosphiraneN115CP1C(Br)C1InChI=1S/C3H6BrP/c1-5-2-3(5)4/h3H,2H2,1H3InChIKey=XEGBPKPOSIGORX-UHFFFAOYSA-N120.7Ex 120.67(BP est) -48.95(MP est) ----(BP exp) ----(MP exp) CP1C(Br)C1 -49PredN
BrC1CCP17925152.959C3H6BrP2-bromophosphetaneN115BrC1CCP1InChI=1S/C3H6BrP/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=FZHMBJUDRREYHT-UHFFFAOYSA-N121.9Ex 121.87(BP est) -49.68(MP est) ----(BP exp) ----(MP exp) BrC1CCP1 -49.7PredN
BrC1CPC17926152.959C3H6BrP3-bromophosphetaneN115BrC1CPC1InChI=1S/C3H6BrP/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=PIACNVYGMMIOGQ-UHFFFAOYSA-N121.9Ex 121.87(BP est) -49.68(MP est) ----(BP exp) ----(MP exp) BrC1CPC1 -49.7PredN
OC(=O)C(Br)(C)7927152.975C3H5BrO22-bromopropanoic acidN116OC(=O)C(Br)(C)InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)InChIKey=MONMFXREYOKQTI-UHFFFAOYSA-N203.0Ex 200.64(BP est) 29.65(MP est) 203.00(BP exp) ----(MP exp) OC(=O)C(Br)(C) 29.7PredN
OC(=O)C(CBr)7928152.975C3H5BrO23-bromopropanoic acidN116OC(=O)C(CBr)InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)InChIKey=DHXNZYCXMFBMHE-UHFFFAOYSA-N212.5Ex 212.46(BP est) 30.53(MP est) ----(BP exp) 62.50(MP exp) OC(=O)C(CBr) 62.5ExptN
BrCOC(C)=O7929152.975C3H5BrO2bromomethyl acetateN116BrCOC(C)=OInChI=1S/C3H5BrO2/c1-3(5)6-2-4/h2H2,1H3InChIKey=NHYXMAKLBXBVEO-UHFFFAOYSA-N131.5Ex 131.34(BP est) -42.22(MP est) ----(BP exp) ----(MP exp) BrCOC(C)=O -42.2PredN
COC(CBr)=O7930152.975C3H5BrO2methyl 2-bromoacetateN116COC(CBr)=OInChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3InChIKey=YDCHPLOFQATIDS-UHFFFAOYSA-N145.0Ex 131.34(BP est) -42.22(MP est) 132.00(BP exp) ----(MP exp) COC(CBr)=O -42.2PredN
NC(NCBr)=O7931152.979C2H5BrN2O1-(bromomethyl)ureaN116NC(NCBr)=OInChI=1S/C2H5BrN2O/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=TVUNTZXNHGWLGZ-UHFFFAOYSA-N240.5Ex 240.46(BP est) 53.57(MP est) ----(BP exp) ----(MP exp) NC(NCBr)=O 53.6PredN
C(C(Br)F)(C1)(C1)7932152.994C4H6BrF(bromofluoromethyl)cyclopropaneN126C(C(Br)F)(C1)(C1)InChI=1S/C4H6BrF/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=JMHJSVMTMVKMST-UHFFFAOYSA-N93.9Ex 93.91(BP est) -66.91(MP est) ----(BP exp) ----(MP exp) C(C(Br)F)(C1)(C1) -66.9PredN
C(F)(CBr)(C1)(C1)7933152.994C4H6BrF1-(bromomethyl)-1-fluorocyclopropaneN126C(F)(CBr)(C1)(C1)InChI=1S/C4H6BrF/c5-3-4(6)1-2-4/h1-3H2InChIKey=LQVPKSHJUGOHPN-UHFFFAOYSA-N95.7Ex 95.73(BP est) -46.93(MP est) ----(BP exp) ----(MP exp) C(F)(CBr)(C1)(C1) -46.9PredN
C(CBr)(C1)(C1F)7934152.994C4H6BrF1-(bromomethyl)-2-fluorocyclopropaneN126C(CBr)(C1)(C1F)InChI=1S/C4H6BrF/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=RZFOXSWHYYGTIX-UHFFFAOYSA-N101.5Ex 101.45(BP est) -59.33(MP est) ----(BP exp) ----(MP exp) C(CBr)(C1)(C1F) -59.3PredN
C(Br)(CF)(C1)(C1)7935152.994C4H6BrF1-bromo-1-(fluoromethyl)cyclopropaneN126C(Br)(CF)(C1)(C1)InChI=1S/C4H6BrF/c5-4(3-6)1-2-4/h1-3H2InChIKey=BWVBZDPWIASRSF-UHFFFAOYSA-N95.7Ex 95.73(BP est) -46.93(MP est) ----(BP exp) ----(MP exp) C(Br)(CF)(C1)(C1) -46.9PredN
C(C)(C1)(C1(Br)F)7936152.994C4H6BrF1-bromo-1-fluoro-2-methylcyclopropaneN126C(C)(C1)(C1(Br)F)InChI=1S/C4H6BrF/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=GBZUEDADQLCOIA-UHFFFAOYSA-N88.7Ex 88.68(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C1(Br)F) -51.1PredN
C(Br)(F)=C(C)(C)7937152.994C4H6BrF1-bromo-1-fluoro-2-methylprop-1-eneN126C(Br)(F)=C(C)(C)InChI=1S/C4H6BrF/c1-3(2)4(5)6/h1-2H3InChIKey=NPRCZTIXJALKFF-UHFFFAOYSA-N98.6Ex 98.62(BP est) -83.50(MP est) ----(BP exp) ----(MP exp) C(Br)(F)=C(C)(C) -83.5PredN
C(CC=C(Br)F)7938152.994C4H6BrF1-bromo-1-fluorobut-1-eneN126C(CC=C(Br)F)InChI=1S/C4H6BrF/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=AIQOHQPVTDYQKZ-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(CC=C(Br)F) -74.6PredN
C(C)=C(C(Br)F)7939152.994C4H6BrF1-bromo-1-fluorobut-2-eneN126C(C)=C(C(Br)F)InChI=1S/C4H6BrF/c1-2-3-4(5)6/h2-4H,1H3InChIKey=HXTROMOJTXZRJJ-UHFFFAOYSA-N97.2Ex 97.24(BP est) -77.45(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(Br)F) -77.5PredN
C(C1)(CC1(Br)F)7940152.994C4H6BrF1-bromo-1-fluorocyclobutaneN126C(C1)(CC1(Br)F)InChI=1S/C4H6BrF/c5-4(6)2-1-3-4/h1-3H2InChIKey=MUHKAXHFEIPLMZ-UHFFFAOYSA-N97.9Ex 97.94(BP est) -48.04(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1(Br)F) -48PredN
C(CF)(C1)(C1Br)7941152.994C4H6BrF1-bromo-2-(fluoromethyl)cyclopropaneN126C(CF)(C1)(C1Br)InChI=1S/C4H6BrF/c5-4-1-3(4)2-6/h3-4H,1-2H2InChIKey=IJHGYKVRRDNGFM-UHFFFAOYSA-N101.5Ex 101.45(BP est) -59.33(MP est) ----(BP exp) ----(MP exp) C(CF)(C1)(C1Br) -59.3PredN
C(Br)(C)(C1)(C1F)7942152.994C4H6BrF1-bromo-2-fluoro-1-methylcyclopropaneN126C(Br)(C)(C1)(C1F)InChI=1S/C4H6BrF/c1-4(5)2-3(4)6/h3H,2H2,1H3InChIKey=LMJUMGDNSFLODK-UHFFFAOYSA-N88.7Ex 88.68(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C(Br)(C)(C1)(C1F) -51.1PredN
C(C)(C1Br)(C1F)7943152.994C4H6BrF1-bromo-2-fluoro-3-methylcyclopropaneN126C(C)(C1Br)(C1F)InChI=1S/C4H6BrF/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=GKZLUMNAKCDTDE-UHFFFAOYSA-N94.5Ex 94.47(BP est) -63.49(MP est) ----(BP exp) ----(MP exp) C(C)(C1Br)(C1F) -63.5PredN
C(CC(F)=CBr)7944152.994C4H6BrF1-bromo-2-fluorobut-1-eneN126C(CC(F)=CBr)InChI=1S/C4H6BrF/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=HALXTMRJFHLNAB-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(CC(F)=CBr) -74.6PredN
C(C)=C(F)(CBr)7945152.994C4H6BrF1-bromo-2-fluorobut-2-eneN126C(C)=C(F)(CBr)InChI=1S/C4H6BrF/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=FTESGJXMIITOFP-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(CBr) -74.6PredN
C(C1)(C(Br)C1F)7946152.994C4H6BrF1-bromo-2-fluorocyclobutaneN126C(C1)(C(Br)C1F)InChI=1S/C4H6BrF/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=WCOXLGTZIDLICY-UHFFFAOYSA-N103.7Ex 103.65(BP est) -60.45(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Br)C1F) -60.5PredN
C(Br)=C(C)(CF)7947152.994C4H6BrF1-bromo-3-fluoro-2-methylprop-1-eneN126C(Br)=C(C)(CF)InChI=1S/C4H6BrF/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=IMLIOINRDVFTEZ-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C)(CF) -74.6PredN
C(C(F)C=CBr)7948152.994C4H6BrF1-bromo-3-fluorobut-1-eneN126C(C(F)C=CBr)InChI=1S/C4H6BrF/c1-4(6)2-3-5/h2-4H,1H3InChIKey=QZWFEMDRMKZTIK-UHFFFAOYSA-N97.2Ex 97.24(BP est) -77.45(MP est) ----(BP exp) ----(MP exp) C(C(F)C=CBr) -77.5PredN
C(CBr)=C(F)(C)7949152.994C4H6BrF1-bromo-3-fluorobut-2-eneN126C(CBr)=C(F)(C)InChI=1S/C4H6BrF/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=WMQNIRZJGUBXHL-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(CBr)=C(F)(C) -74.6PredN
C(C1Br)(C(F)C1)7950152.994C4H6BrF1-bromo-3-fluorocyclobutaneN126C(C1Br)(C(F)C1)InChI=1S/C4H6BrF/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=XJSMTQICBYPLEJ-UHFFFAOYSA-N103.7Ex 103.65(BP est) -60.45(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C(F)C1) -60.5PredN
C(F)(CC=CBr)7951152.994C4H6BrF1-bromo-4-fluorobut-1-eneN126C(F)(CC=CBr)InChI=1S/C4H6BrF/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=MDCRCRRHCSUSCO-UHFFFAOYSA-N111.6Ex 111.62(BP est) -65.75(MP est) ----(BP exp) ----(MP exp) C(F)(CC=CBr) -65.8PredN
C(CBr)=C(CF)7952152.994C4H6BrF1-bromo-4-fluorobut-2-eneN126C(CBr)=C(CF)InChI=1S/C4H6BrF/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=KEMGOGDGDSMURZ-UHFFFAOYSA-N111.6Ex 111.62(BP est) -65.75(MP est) ----(BP exp) ----(MP exp) C(CBr)=C(CF) -65.8PredN
C(F)(C)(C1)(C1Br)7953152.994C4H6BrF2-bromo-1-fluoro-1-methylcyclopropaneN126C(F)(C)(C1)(C1Br)InChI=1S/C4H6BrF/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=HDLFVOHWXOQVFX-UHFFFAOYSA-N88.7Ex 88.68(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C1)(C1Br) -51.1PredN
C(CC(Br)=CF)7954152.994C4H6BrF2-bromo-1-fluorobut-1-eneN126C(CC(Br)=CF)InChI=1S/C4H6BrF/c1-2-4(5)3-6/h3H,2H2,1H3InChIKey=HIFQSYALZVBSTB-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(CC(Br)=CF) -74.6PredN
C(C)=C(Br)(CF)7955152.994C4H6BrF2-bromo-1-fluorobut-2-eneN126C(C)=C(Br)(CF)InChI=1S/C4H6BrF/c1-2-4(5)3-6/h2H,3H2,1H3InChIKey=XHZYOQGSLSCGHP-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(C)=C(Br)(CF) -74.6PredN
C(C(F)C(Br)=C)7957152.994C4H6BrF2-bromo-3-fluorobut-1-eneN126C(C(F)C(Br)=C)InChI=1S/C4H6BrF/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=BYCCSFMTNRSKJS-UHFFFAOYSA-N81.2Ex 81.23(BP est) -87.44(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Br)=C) -87.4PredN
C(Br)(C)=C(F)(C)7958152.994C4H6BrF2-bromo-3-fluorobut-2-eneN126C(Br)(C)=C(F)(C)InChI=1S/C4H6BrF/c1-3(5)4(2)6/h1-2H3InChIKey=NQBMDIHEGFVWCS-UHFFFAOYSA-N98.6Ex 98.62(BP est) -83.50(MP est) ----(BP exp) ----(MP exp) C(Br)(C)=C(F)(C) -83.5PredN
C(F)(CC(Br)=C)7959152.994C4H6BrF2-bromo-4-fluorobut-1-eneN126C(F)(CC(Br)=C)InChI=1S/C4H6BrF/c1-4(5)2-3-6/h1-3H2InChIKey=XNFPFPVVPLBGKE-UHFFFAOYSA-N96.0Ex 95.97(BP est) -75.64(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Br)=C) -75.6PredN
C(F)=C(C)(CBr)7960152.994C4H6BrF3-bromo-1-fluoro-2-methylprop-1-eneN126C(F)=C(C)(CBr)InChI=1S/C4H6BrF/c1-4(2-5)3-6/h3H,2H2,1H3InChIKey=QGSCVPUJNRTJPQ-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(CBr) -74.6PredN
C(C(Br)C=CF)7961152.994C4H6BrF3-bromo-1-fluorobut-1-eneN126C(C(Br)C=CF)InChI=1S/C4H6BrF/c1-4(5)2-3-6/h2-4H,1H3InChIKey=BBJICDZFNSRMCU-UHFFFAOYSA-N97.2Ex 97.24(BP est) -77.45(MP est) ----(BP exp) ----(MP exp) C(C(Br)C=CF) -77.5PredN
C(CF)=C(Br)(C)7962152.994C4H6BrF3-bromo-1-fluorobut-2-eneN126C(CF)=C(Br)(C)InChI=1S/C4H6BrF/c1-4(5)2-3-6/h2H,3H2,1H3InChIKey=ITHRJPCAJACJFH-UHFFFAOYSA-N105.2Ex 105.15(BP est) -74.62(MP est) ----(BP exp) ----(MP exp) C(CF)=C(Br)(C) -74.6PredN
C=C(CBr)(CF)7963152.994C4H6BrF3-bromo-2-(fluoromethyl)prop-1-eneN126C=C(CBr)(CF)InChI=1S/C4H6BrF/c1-4(2-5)3-6/h1-3H2InChIKey=FYFJKBLCWSLICJ-UHFFFAOYSA-N96.0Ex 95.97(BP est) -75.64(MP est) ----(BP exp) ----(MP exp) C=C(CBr)(CF) -75.6PredN
C(C(Br)C(F)=C)7964152.994C4H6BrF3-bromo-2-fluorobut-1-eneN126C(C(Br)C(F)=C)InChI=1S/C4H6BrF/c1-3(5)4(2)6/h3H,2H2,1H3InChIKey=CPLQYMOFOVWGBQ-UHFFFAOYSA-N81.2Ex 81.23(BP est) -87.44(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(F)=C) -87.4PredN
C=C(C)(C(Br)F)7965152.994C4H6BrF3-bromo-3-fluoro-2-methylprop-1-eneN126C=C(C)(C(Br)F)InChI=1S/C4H6BrF/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=LIXYMGRDCQVXAO-UHFFFAOYSA-N81.2Ex 81.23(BP est) -87.44(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(Br)F) -87.4PredN
C(C(Br)(F)C=C)7966152.994C4H6BrF3-bromo-3-fluorobut-1-eneN126C(C(Br)(F)C=C)InChI=1S/C4H6BrF/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=VCMAUZJVZNXIHL-UHFFFAOYSA-N78.2Ex 78.17(BP est) -72.64(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)C=C) -72.6PredN
C(F)(C(Br)C=C)7967152.994C4H6BrF3-bromo-4-fluorobut-1-eneN126C(F)(C(Br)C=C)InChI=1S/C4H6BrF/c1-2-4(5)3-6/h2,4H,1,3H2InChIKey=NTZKTLLQZJDYTC-UHFFFAOYSA-N87.9Ex 87.94(BP est) -78.50(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)C=C) -78.5PredN
C(Br)(CC=CF)7968152.994C4H6BrF4-bromo-1-fluorobut-1-eneN126C(Br)(CC=CF)InChI=1S/C4H6BrF/c5-3-1-2-4-6/h2,4H,1,3H2InChIKey=QLJLKLPIKAYJCN-UHFFFAOYSA-N111.6Ex 111.62(BP est) -65.75(MP est) ----(BP exp) ----(MP exp) C(Br)(CC=CF) -65.8PredN
C(Br)(CC(F)=C)7969152.994C4H6BrF4-bromo-2-fluorobut-1-eneN126C(Br)(CC(F)=C)InChI=1S/C4H6BrF/c1-4(6)2-3-5/h1-3H2InChIKey=DGDXZBPYEXTRAS-UHFFFAOYSA-N96.0Ex 95.97(BP est) -75.64(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(F)=C) -75.6PredN
C(Br)(C(F)C=C)7970152.994C4H6BrF4-bromo-3-fluorobut-1-eneN126C(Br)(C(F)C=C)InChI=1S/C4H6BrF/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=SQSSMEWQVACPLU-UHFFFAOYSA-N87.9Ex 87.94(BP est) -78.50(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)C=C) -78.5PredN
C(Br)(F)(CC=C)7971152.994C4H6BrF4-bromo-4-fluorobut-1-eneN126C(Br)(F)(CC=C)InChI=1S/C4H6BrF/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=VABGZHUQKONHCD-UHFFFAOYSA-N87.9Ex 87.94(BP est) -78.50(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(CC=C) -78.5PredN
BrCOCCC7972153.019C4H9BrO1-(bromomethoxy)propaneN156BrCOCCCInChI=1S/C4H9BrO/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=MKMGUCDUYZRWRX-UHFFFAOYSA-N126.4Ex 126.37(BP est) -48.08(MP est) ----(BP exp) ----(MP exp) BrCOCCC -48.1PredN
CCOC(C)Br7973153.019C4H9BrO1-bromo-1-ethoxyethaneN156CCOC(C)BrInChI=1S/C4H9BrO/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=DGWGSHNCXHQSFP-UHFFFAOYSA-N112.3Ex 112.34(BP est) -59.68(MP est) ----(BP exp) ----(MP exp) CCOC(C)Br -59.7PredN
COC(CC)Br7974153.019C4H9BrO1-bromo-1-methoxypropaneN156COC(CC)BrInChI=1S/C4H9BrO/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=VLVXCLZYVWOYNU-UHFFFAOYSA-N112.3Ex 112.34(BP est) -59.68(MP est) ----(BP exp) ----(MP exp) COC(CC)Br -59.7PredN
CCOCCBr7975153.019C4H9BrO1-bromo-2-ethoxyethaneN156CCOCCBrInChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=MMYKTRPLXXWLBC-UHFFFAOYSA-N144.1Ex 126.37(BP est) -48.08(MP est) 127.50(BP exp) ----(MP exp) CCOCCBr -48.1PredN
COC(CBr)C7976153.019C4H9BrO1-bromo-2-methoxypropaneN156COC(CBr)CInChI=1S/C4H9BrO/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=ULHBRIULGNSYDP-UHFFFAOYSA-N112.3Ex 112.34(BP est) -59.68(MP est) ----(BP exp) ----(MP exp) COC(CBr)C -59.7PredN
OC(C(C)C)Br7977153.019C4H9BrO1-bromo-2-methylpropan-1-olN156OC(C(C)C)BrInChI=1S/C4H9BrO/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=BOONEPUOVYEOGT-UHFFFAOYSA-N152.8Ex 152.83(BP est) -36.06(MP est) ----(BP exp) ----(MP exp) OC(C(C)C)Br -36.1PredN
OC(C)(CBr)C7978153.019C4H9BrO1-bromo-2-methylpropan-2-olN156OC(C)(CBr)CInChI=1S/C4H9BrO/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=OBOTXOMQYNJWJJ-UHFFFAOYSA-N147.1Ex 147.09(BP est) -21.53(MP est) ----(BP exp) ----(MP exp) OC(C)(CBr)C -21.5PredN
COCCCBr7979153.019C4H9BrO1-bromo-3-methoxypropaneN156COCCCBrInChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=CEVMYGZHEJSOHZ-UHFFFAOYSA-N126.4Ex 126.37(BP est) -48.08(MP est) ----(BP exp) ----(MP exp) COCCCBr -48.1PredN
OC(Br)(CCC)7980153.019C4H9BrO1-bromobutan-1-olN156OC(Br)(CCC)InChI=1S/C4H9BrO/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=XIBRGIIOWNPIPN-UHFFFAOYSA-N165.9Ex 165.90(BP est) -24.75(MP est) ----(BP exp) ----(MP exp) OC(Br)(CCC) -24.8PredN
OC(CBr)(CC)7981153.019C4H9BrO1-bromobutan-2-olN156OC(CBr)(CC)InChI=1S/C4H9BrO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=DMRXISNUOWIOKV-UHFFFAOYSA-N165.9Ex 165.90(BP est) -24.75(MP est) ----(BP exp) ----(MP exp) OC(CBr)(CC) -24.8PredN
BrCOC(C)C7982153.019C4H9BrO2-(bromomethoxy)propaneN156BrCOC(C)CInChI=1S/C4H9BrO/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=MSTCEHYCTLDNMQ-UHFFFAOYSA-N112.3Ex 112.34(BP est) -59.68(MP est) ----(BP exp) ----(MP exp) BrCOC(C)C -59.7PredN
COCC(C)Br7983153.019C4H9BrO2-bromo-1-methoxypropaneN156COCC(C)BrInChI=1S/C4H9BrO/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=PBHYCZIZMTYKAS-UHFFFAOYSA-N112.3Ex 112.34(BP est) -59.68(MP est) ----(BP exp) ----(MP exp) COCC(C)Br -59.7PredN
COC(C)(C)Br7984153.019C4H9BrO2-bromo-2-methoxypropaneN156COC(C)(C)BrInChI=1S/C4H9BrO/c1-4(2,5)6-3/h1-3H3InChIKey=SPLOJOMPQFZYLZ-UHFFFAOYSA-N102.9Ex 102.93(BP est) -53.72(MP est) ----(BP exp) ----(MP exp) COC(C)(C)Br -53.7PredN
OCC(Br)(C)(C)7985153.019C4H9BrO2-bromo-2-methylpropan-1-olN156OCC(Br)(C)(C)InChI=1S/C4H9BrO/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=PUPDAQGFJMQNBK-UHFFFAOYSA-N164.3Ex 164.33(BP est) -16.49(MP est) ----(BP exp) ----(MP exp) OCC(Br)(C)(C) -16.5PredN
OC(C(Br)CC)7986153.019C4H9BrO2-bromobutan-1-olN156OC(C(Br)CC)InChI=1S/C4H9BrO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=LMEOVPMTQBNCFK-UHFFFAOYSA-N172.8Ex 172.77(BP est) -22.74(MP est) ----(BP exp) ----(MP exp) OC(C(Br)CC) -22.7PredN
OC(C)(CC)Br7987153.019C4H9BrO2-bromobutan-2-olN156OC(C)(CC)BrInChI=1S/C4H9BrO/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=FVRXRKGIHJAYBG-UHFFFAOYSA-N147.1Ex 147.09(BP est) -21.53(MP est) ----(BP exp) ----(MP exp) OC(C)(CC)Br -21.5PredN
OCC(C)(CBr)7988153.019C4H9BrO3-bromo-2-methylpropan-1-olN156OCC(C)(CBr)InChI=1S/C4H9BrO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=KIBOHRIGZMLNNS-UHFFFAOYSA-N172.8Ex 172.77(BP est) -22.74(MP est) ----(BP exp) ----(MP exp) OCC(C)(CBr) -22.7PredN
OC(CC(Br)C)7989153.019C4H9BrO3-bromobutan-1-olN156OC(CC(Br)C)InChI=1S/C4H9BrO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=ZVWPDURJKLPNAL-UHFFFAOYSA-N172.8Ex 172.77(BP est) -22.74(MP est) ----(BP exp) ----(MP exp) OC(CC(Br)C) -22.7PredN
OC(C(C)Br)C7990153.019C4H9BrO3-bromobutan-2-olN156OC(C(C)Br)CInChI=1S/C4H9BrO/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=JCYSVJNMXBWPHS-UHFFFAOYSA-N147.0Ex 152.83(BP est) -36.06(MP est) ----(BP exp) ----(MP exp) OC(C(C)Br)C -36.1PredN
OC(CCCBr)7991153.019C4H9BrO4-bromobutan-1-olN156OC(CCCBr)InChI=1S/C4H9BrO/c5-3-1-2-4-6/h6H,1-4H2InChIKey=SIJLYRDVTMMSIP-UHFFFAOYSA-N185.3Ex 185.33(BP est) -11.57(MP est) ----(BP exp) ----(MP exp) OC(CCCBr) -11.6PredN
OC(C)(CCBr)7992153.019C4H9BrO4-bromobutan-2-olN156OC(C)(CCBr)InChI=1S/C4H9BrO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=KHZTWUIVCAAVDC-UHFFFAOYSA-N165.9Ex 165.90(BP est) -24.75(MP est) ----(BP exp) ----(MP exp) OC(C)(CCBr) -24.8PredN
NNC(C)(CBr)7993153.023C3H9BrN2(1-bromopropan-2-yl)hydrazineN156NNC(C)(CBr)InChI=1S/C3H9BrN2/c1-3(2-4)6-5/h3,6H,2,5H2,1H3InChIKey=PGZOZNCCGANAJW-UHFFFAOYSA-N168.0Ex 168.03(BP est) 7.79(MP est) ----(BP exp) ----(MP exp) NNC(C)(CBr) 7.8PredN
NNC(Br)(CC)7994153.023C3H9BrN2(1-bromopropyl)hydrazineN156NNC(Br)(CC)InChI=1S/C3H9BrN2/c1-2-3(4)6-5/h3,6H,2,5H2,1H3InChIKey=CFKJLJYKMPPIMS-UHFFFAOYSA-N168.0Ex 168.03(BP est) 7.79(MP est) ----(BP exp) ----(MP exp) NNC(Br)(CC) 7.8PredN
NNC(C)(C)Br7995153.023C3H9BrN2(2-bromopropan-2-yl)hydrazineN156NNC(C)(C)BrInChI=1S/C3H9BrN2/c1-3(2,4)6-5/h6H,5H2,1-2H3InChIKey=GFWLVUONVYREKW-UHFFFAOYSA-N159.5Ex 159.51(BP est) 14.01(MP est) ----(BP exp) ----(MP exp) NNC(C)(C)Br 14PredN
NNC(C(Br)C)7996153.023C3H9BrN2(2-bromopropyl)hydrazineN156NNC(C(Br)C)InChI=1S/C3H9BrN2/c1-3(4)2-6-5/h3,6H,2,5H2,1H3InChIKey=VGMRXPSQBGFBRM-UHFFFAOYSA-N168.0Ex 168.03(BP est) 7.79(MP est) ----(BP exp) ----(MP exp) NNC(C(Br)C) 7.8PredN
NNC(CCBr)7997153.023C3H9BrN2(3-bromopropyl)hydrazineN156NNC(CCBr)InChI=1S/C3H9BrN2/c4-2-1-3-6-5/h6H,1-3,5H2InChIKey=XNVWOLNXVGPGCQ-UHFFFAOYSA-N180.7Ex 180.71(BP est) 18.99(MP est) ----(BP exp) ----(MP exp) NNC(CCBr) 19PredN
CN(N)C(C)Br7998153.023C3H9BrN21-(1-bromoethyl)-1-methylhydrazineN156CN(N)C(C)BrInChI=1S/C3H9BrN2/c1-3(4)6(2)5/h3H,5H2,1-2H3InChIKey=AVVDVTAPBXZILI-UHFFFAOYSA-N148.5Ex 148.53(BP est) -8.00(MP est) ----(BP exp) ----(MP exp) CN(N)C(C)Br -8PredN
CNNC(C)Br7999153.023C3H9BrN21-(1-bromoethyl)-2-methylhydrazineN156CNNC(C)BrInChI=1S/C3H9BrN2/c1-3(4)6-5-2/h3,5-6H,1-2H3InChIKey=XJLMNPSMDZGQLU-UHFFFAOYSA-N151.1Ex 151.08(BP est) -12.46(MP est) ----(BP exp) ----(MP exp) CNNC(C)Br -12.5PredN
CN(C(CBr))N8000153.023C3H9BrN21-(2-bromoethyl)-1-methylhydrazineN156CN(C(CBr))NInChI=1S/C3H9BrN2/c1-6(5)3-2-4/h2-3,5H2,1H3InChIKey=DYSVSUAOZUZRSF-UHFFFAOYSA-N161.7Ex 161.70(BP est) 3.35(MP est) ----(BP exp) ----(MP exp) CN(C(CBr))N 3.4PredN
CNNC(CBr)8001153.023C3H9BrN21-(2-bromoethyl)-2-methylhydrazineN156CNNC(CBr)InChI=1S/C3H9BrN2/c1-5-6-3-2-4/h5-6H,2-3H2,1H3InChIKey=XZUXCYZASFUHFC-UHFFFAOYSA-N164.2Ex 164.19(BP est) -1.13(MP est) ----(BP exp) ----(MP exp) CNNC(CBr) -1.1PredN
CN(NC)CBr8002153.023C3H9BrN21-(bromomethyl)-1,2-dimethylhydrazineN156CN(NC)CBrInChI=1S/C3H9BrN2/c1-5-6(2)3-4/h5H,3H2,1-2H3InChIKey=NKXNKUCLTPTZOF-UHFFFAOYSA-N144.6Ex 144.55(BP est) -16.96(MP est) ----(BP exp) ----(MP exp) CN(NC)CBr -17PredN
C(Br)N(C(C))N8003153.023C3H9BrN21-(bromomethyl)-1-ethylhydrazineN156C(Br)N(C(C))NInChI=1S/C3H9BrN2/c1-2-6(5)3-4/h2-3,5H2,1H3InChIKey=PTAIGHMHPQUHSY-UHFFFAOYSA-N161.7Ex 161.70(BP est) 3.35(MP est) ----(BP exp) ----(MP exp) C(Br)N(C(C))N 3.4PredN
C(Br)NNC(C)8004153.023C3H9BrN21-(bromomethyl)-2-ethylhydrazineN156C(Br)NNC(C)InChI=1S/C3H9BrN2/c1-2-5-6-3-4/h5-6H,2-3H2,1H3InChIKey=AOPAKSKZXFDASN-UHFFFAOYSA-N164.2Ex 164.19(BP est) -1.13(MP est) ----(BP exp) ----(MP exp) C(Br)NNC(C) -1.1PredN
CN(NCBr)C8005153.023C3H9BrN22-(bromomethyl)-1,1-dimethylhydrazineN156CN(NCBr)CInChI=1S/C3H9BrN2/c1-6(2)5-3-4/h5H,3H2,1-2H3InChIKey=DCQXRQZFHPVTHR-UHFFFAOYSA-N144.6Ex 144.55(BP est) -16.96(MP est) ----(BP exp) ----(MP exp) CN(NCBr)C -17PredN
CSC(Br)=C8006153.037C3H5BrS(1-bromovinyl)(methyl)sulfaneN105CSC(Br)=CInChI=1S/C3H5BrS/c1-3(4)5-2/h1H2,2H3InChIKey=ANHSZASWRNYGNG-UHFFFAOYSA-N137.3Ex 137.31(BP est) -52.30(MP est) ----(BP exp) ----(MP exp) CSC(Br)=C -52.3PredN
CSC=CBr8007153.037C3H5BrS(2-bromovinyl)(methyl)sulfaneN105CSC=CBrInChI=1S/C3H5BrS/c1-5-3-2-4/h2-3H,1H3InChIKey=HEJORMGLROEBKN-UHFFFAOYSA-N151.9Ex 151.92(BP est) -42.71(MP est) ----(BP exp) ----(MP exp) CSC=CBr -42.7PredN
BrCSC=C8008153.037C3H5BrS(bromomethyl)(vinyl)sulfaneN105BrCSC=CInChI=1S/C3H5BrS/c1-2-5-3-4/h2H,1,3H2InChIKey=RGJQGIWGGRQQCM-UHFFFAOYSA-N143.4Ex 143.44(BP est) -43.53(MP est) ----(BP exp) ----(MP exp) BrCSC=C -43.5PredN
SC1(CC1)Br8009153.037C3H5BrS1-bromocyclopropane-1-thiolN105SC1(CC1)BrInChI=1S/C3H5BrS/c4-3(5)1-2-3/h5H,1-2H2InChIKey=BDAKMXXAHXJFRI-UHFFFAOYSA-N150.5Ex 150.47(BP est) -18.65(MP est) ----(BP exp) ----(MP exp) SC1(CC1)Br -18.7PredN
SC(C=C)Br8010153.037C3H5BrS1-bromoprop-2-ene-1-thiolN105SC(C=C)BrInChI=1S/C3H5BrS/c1-2-3(4)5/h2-3,5H,1H2InChIKey=SJSLBABNEPARSZ-UHFFFAOYSA-N143.4Ex 143.37(BP est) -50.02(MP est) ----(BP exp) ----(MP exp) SC(C=C)Br -50PredN
BrCC1CS18011153.037C3H5BrS2-(bromomethyl)thiiraneN105BrCC1CS1InChI=1S/C3H5BrS/c4-1-3-2-5-3/h3H,1-2H2InChIKey=VTFRCOGCPHVIHW-UHFFFAOYSA-N146.5Ex 146.46(BP est) -11.27(MP est) ----(BP exp) ----(MP exp) BrCC1CS1 -11.3PredN
BrC1(C)CS18012153.037C3H5BrS2-bromo-2-methylthiiraneN105BrC1(C)CS1InChI=1S/C3H5BrS/c1-3(4)2-5-3/h2H2,1H3InChIKey=QVGWJDIUFXVDHM-UHFFFAOYSA-N134.6Ex 134.62(BP est) -2.78(MP est) ----(BP exp) ----(MP exp) BrC1(C)CS1 -2.8PredN
BrC1C(C)S18013153.037C3H5BrS2-bromo-3-methylthiiraneN105BrC1C(C)S1InChI=1S/C3H5BrS/c1-2-3(4)5-2/h2-3H,1H3InChIKey=QAGSGSLQGHCCQC-UHFFFAOYSA-N140.0Ex 139.99(BP est) -15.28(MP est) ----(BP exp) ----(MP exp) BrC1C(C)S1 -15.3PredN
SC1CC1Br8014153.037C3H5BrS2-bromocyclopropane-1-thiolN105SC1CC1BrInChI=1S/C3H5BrS/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=BTKCRMVPHPDCIU-UHFFFAOYSA-N155.7Ex 155.69(BP est) -31.19(MP est) ----(BP exp) ----(MP exp) SC1CC1Br -31.2PredN
SCC(Br)=C8015153.037C3H5BrS2-bromoprop-2-ene-1-thiolN105SCC(Br)=CInChI=1S/C3H5BrS/c1-3(4)2-5/h5H,1-2H2InChIKey=ZXGBAFRWWUZPNF-UHFFFAOYSA-N150.7Ex 150.69(BP est) -47.36(MP est) ----(BP exp) ----(MP exp) SCC(Br)=C -47.4PredN
BrC1SCC18016153.037C3H5BrS2-bromothietaneN105BrC1SCC1InChI=1S/C3H5BrS/c4-3-1-2-5-3/h3H,1-2H2InChIKey=YNHUUTQTMULBMI-UHFFFAOYSA-N148.5Ex 148.49(BP est) -12.44(MP est) ----(BP exp) ----(MP exp) BrC1SCC1 -12.4PredN
SC(C=CBr)8017153.037C3H5BrS3-bromoprop-2-ene-1-thiolN105SC(C=CBr)InChI=1S/C3H5BrS/c4-2-1-3-5/h1-2,5H,3H2InChIKey=GGQUOESKWZAONO-UHFFFAOYSA-N165.0Ex 164.95(BP est) -37.88(MP est) ----(BP exp) ----(MP exp) SC(C=CBr) -37.9PredN
BrC1CSC18018153.037C3H5BrS3-bromothietaneN105BrC1CSC1InChI=1S/C3H5BrS/c4-3-1-5-2-3/h3H,1-2H2InChIKey=DCLZQESHEPVMNO-UHFFFAOYSA-N148.5Ex 148.49(BP est) -12.44(MP est) ----(BP exp) ----(MP exp) BrC1CSC1 -12.4PredN
ClC(C1)=C1Br8023153.403C3H2BrCl1-bromo-2-chlorocycloprop-1-eneN75ClC(C1)=C1BrInChI=1S/C3H2BrCl/c4-2-1-3(2)5/h1H2InChIKey=VSUHHLWWOPEBAV-UHFFFAOYSA-N123.6Ex 123.61(BP est) -26.69(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1Br -26.7PredN
BrC1=CC1Cl8024153.403C3H2BrCl1-bromo-3-chlorocycloprop-1-eneN75BrC1=CC1ClInChI=1S/C3H2BrCl/c4-2-1-3(2)5/h1,3HInChIKey=DBAOBWQVTMSMDZ-UHFFFAOYSA-N133.4Ex 133.44(BP est) -32.20(MP est) ----(BP exp) ----(MP exp) BrC1=CC1Cl -32.2PredN
ClCC#CBr8025153.403C3H2BrCl1-bromo-3-chloroprop-1-yneN75ClCC#CBrInChI=1S/C3H2BrCl/c4-2-1-3-5/h3H2InChIKey=CDQVHJQUZJVIRE-UHFFFAOYSA-N156.9Ex 156.91(BP est) 12.10(MP est) ----(BP exp) ----(MP exp) ClCC#CBr 12.1PredN
ClC1=CC1Br8026153.403C3H2BrCl3-bromo-1-chlorocycloprop-1-eneN75ClC1=CC1BrInChI=1S/C3H2BrCl/c4-2-1-3(2)5/h1-2HInChIKey=KAWWGUSNUZUBHE-UHFFFAOYSA-N118.9Ex 118.88(BP est) -36.45(MP est) ----(BP exp) ----(MP exp) ClC1=CC1Br -36.5PredN
BrCC#CCl8027153.403C3H2BrCl3-bromo-1-chloroprop-1-yneN75BrCC#CClInChI=1S/C3H2BrCl/c4-2-1-3-5/h2H2InChIKey=ZVJUETPSURMLGY-UHFFFAOYSA-N130.6Ex 130.61(BP est) 4.42(MP est) ----(BP exp) ----(MP exp) BrCC#CCl 4.4PredN
BrC1(Cl)C=C18028153.403C3H2BrCl3-bromo-3-chlorocycloprop-1-eneN75BrC1(Cl)C=C1InChI=1S/C3H2BrCl/c4-3(5)1-2-3/h1-2HInChIKey=NNEDVXVECSBWLF-UHFFFAOYSA-N110.6Ex 110.59(BP est) -33.18(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C=C1 -33.2PredN
BrC(C#C)Cl8029153.403C3H2BrCl3-bromo-3-chloroprop-1-yneN75BrC(C#C)ClInChI=1S/C3H2BrCl/c1-2-3(4)5/h1,3HInChIKey=QTZMIQPRLQRYCQ-UHFFFAOYSA-N122.7Ex 122.72(BP est) -34.95(MP est) ----(BP exp) ----(MP exp) BrC(C#C)Cl -35PredN
ClC(Cl)(Cl)Cl8031153.811CCl4perchloromethaneN55ClC(Cl)(Cl)ClInChI=1S/CCl4/c2-1(3,4)5InChIKey=VZGDMQKNWNREIO-UHFFFAOYSA-N76.5Ex 80.36(BP est) -58.38(MP est) 76.80(BP exp) -23.00(MP exp) ClC(Cl)(Cl)Cl -23ExptY(Gribble 2003)
C=CI8032153.95C2H3IiodoetheneN63C=CIInChI=1S/C2H3I/c1-2-3/h2H,1H2InChIKey=GHXZPUGJZVBLGC-UHFFFAOYSA-N55.3Ex 87.11(BP est) -83.68(MP est) 56.00(BP exp) ----(MP exp) C=CI -83.7PredN
NC(Br)(F)(C=C)8033153.982C3H5BrFN1-bromo-1-fluoroprop-2-en-1-amineN116NC(Br)(F)(C=C)InChI=1S/C3H5BrFN/c1-2-3(4,5)6/h2H,1,6H2InChIKey=XHLAIJIQISNQTG-UHFFFAOYSA-N118.0Ex 117.95(BP est) -25.04(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(C=C) -25PredN
NC(Br)(C1)(C1F)8034153.982C3H5BrFN1-bromo-2-fluorocyclopropan-1-amineN116NC(Br)(C1)(C1F)InChI=1S/C3H5BrFN/c4-3(6)1-2(3)5/h2H,1,6H2InChIKey=FXMWPYGHQNEHTC-UHFFFAOYSA-N127.8Ex 127.82(BP est) -3.68(MP est) ----(BP exp) ----(MP exp) NC(Br)(C1)(C1F) -3.7PredN
NC(Br)(C(F)=C)8035153.982C3H5BrFN1-bromo-2-fluoroprop-2-en-1-amineN116NC(Br)(C(F)=C)InChI=1S/C3H5BrFN/c1-2(5)3(4)6/h3H,1,6H2InChIKey=DNJRWSZCAUPQPF-UHFFFAOYSA-N120.8Ex 120.83(BP est) -39.89(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(F)=C) -39.9PredN
NC(Br)(C=CF)8036153.982C3H5BrFN1-bromo-3-fluoroprop-2-en-1-amineN116NC(Br)(C=CF)InChI=1S/C3H5BrFN/c4-3(6)1-2-5/h1-3H,6H2InChIKey=CKXRGFYKXBSKMY-UHFFFAOYSA-N135.9Ex 135.86(BP est) -30.18(MP est) ----(BP exp) ----(MP exp) NC(Br)(C=CF) -30.2PredN
BrC(F)C1CN18037153.982C3H5BrFN2-(bromofluoromethyl)aziridineN116BrC(F)C1CN1InChI=1S/C3H5BrFN/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=XDFPYLJOGFAXNZ-UHFFFAOYSA-N131.9Ex 131.85(BP est) -8.95(MP est) ----(BP exp) ----(MP exp) BrC(F)C1CN1 -9PredN
FC1(CBr)CN18038153.982C3H5BrFN2-(bromomethyl)-2-fluoroaziridineN116FC1(CBr)CN1InChI=1S/C3H5BrFN/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=VVBHAUWCMRLDLD-UHFFFAOYSA-N133.6Ex 133.56(BP est) 11.00(MP est) ----(BP exp) ----(MP exp) FC1(CBr)CN1 11PredN
FC1C(CBr)N18039153.982C3H5BrFN2-(bromomethyl)-3-fluoroaziridineN116FC1C(CBr)N1InChI=1S/C3H5BrFN/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=UXOCCWLVGORVTK-UHFFFAOYSA-N138.9Ex 138.94(BP est) -1.50(MP est) ----(BP exp) ----(MP exp) FC1C(CBr)N1 -1.5PredN
NC(F)(C1)(C1Br)8040153.982C3H5BrFN2-bromo-1-fluorocyclopropan-1-amineN116NC(F)(C1)(C1Br)InChI=1S/C3H5BrFN/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=OYGOJPFZKXXZJH-UHFFFAOYSA-N127.8Ex 127.82(BP est) -3.68(MP est) ----(BP exp) ----(MP exp) NC(F)(C1)(C1Br) -3.7PredN
NC(F)(C(Br)=C)8041153.982C3H5BrFN2-bromo-1-fluoroprop-2-en-1-amineN116NC(F)(C(Br)=C)InChI=1S/C3H5BrFN/c1-2(4)3(5)6/h3H,1,6H2InChIKey=OLJDTFGTSVDWQQ-UHFFFAOYSA-N120.8Ex 120.83(BP est) -39.89(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Br)=C) -39.9PredN
BrC1(CF)CN18042153.982C3H5BrFN2-bromo-2-(fluoromethyl)aziridineN116BrC1(CF)CN1InChI=1S/C3H5BrFN/c4-3(1-5)2-6-3/h6H,1-2H2InChIKey=QJPINZIDGMMMLF-UHFFFAOYSA-N133.6Ex 133.56(BP est) 11.00(MP est) ----(BP exp) ----(MP exp) BrC1(CF)CN1 11PredN
BrC1(F)C(C)N18043153.982C3H5BrFN2-bromo-2-fluoro-3-methylaziridineN116BrC1(F)C(C)N1InChI=1S/C3H5BrFN/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=BGKYZDJAHMBIJE-UHFFFAOYSA-N126.9Ex 126.93(BP est) 6.94(MP est) ----(BP exp) ----(MP exp) BrC1(F)C(C)N1 6.9PredN
BrC1(F)NCC18044153.982C3H5BrFN2-bromo-2-fluoroazetidineN116BrC1(F)NCC1InChI=1S/C3H5BrFN/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=UFXQWEPDLRJEQI-UHFFFAOYSA-N135.6Ex 135.64(BP est) 9.84(MP est) ----(BP exp) ----(MP exp) BrC1(F)NCC1 9.8PredN
NC(C1)(C1(Br)F)8045153.982C3H5BrFN2-bromo-2-fluorocyclopropan-1-amineN116NC(C1)(C1(Br)F)InChI=1S/C3H5BrFN/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=LKUPHLVMGDKISG-UHFFFAOYSA-N127.8Ex 127.82(BP est) -3.68(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(Br)F) -3.7PredN
BrC1C(CF)N18046153.982C3H5BrFN2-bromo-3-(fluoromethyl)aziridineN116BrC1C(CF)N1InChI=1S/C3H5BrFN/c4-3-2(1-5)6-3/h2-3,6H,1H2InChIKey=OVHOAMXQGZXPIE-UHFFFAOYSA-N138.9Ex 138.94(BP est) -1.50(MP est) ----(BP exp) ----(MP exp) BrC1C(CF)N1 -1.5PredN
FC1C(Br)(C)N18047153.982C3H5BrFN2-bromo-3-fluoro-2-methylaziridineN116FC1C(Br)(C)N1InChI=1S/C3H5BrFN/c1-3(4)2(5)6-3/h2,6H,1H3InChIKey=FETXFGXHWCJKNI-UHFFFAOYSA-N126.9Ex 126.93(BP est) 6.94(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(C)N1 6.9PredN
BrC1NCC1F8048153.982C3H5BrFN2-bromo-3-fluoroazetidineN116BrC1NCC1FInChI=1S/C3H5BrFN/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=DSMRTLNACXOBJF-UHFFFAOYSA-N141.0Ex 141.00(BP est) -2.66(MP est) ----(BP exp) ----(MP exp) BrC1NCC1F -2.7PredN
NC(C1Br)(C1F)8049153.982C3H5BrFN2-bromo-3-fluorocyclopropan-1-amineN116NC(C1Br)(C1F)InChI=1S/C3H5BrFN/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=VRDJJUNDZCSGAO-UHFFFAOYSA-N133.3Ex 133.26(BP est) -16.17(MP est) ----(BP exp) ----(MP exp) NC(C1Br)(C1F) -16.2PredN
NC(C(Br)=CF)8050153.982C3H5BrFN2-bromo-3-fluoroprop-2-en-1-amineN116NC(C(Br)=CF)InChI=1S/C3H5BrFN/c4-3(1-5)2-6/h1H,2,6H2InChIKey=OHJKRJKXPMOELV-UHFFFAOYSA-N143.3Ex 143.28(BP est) -27.49(MP est) ----(BP exp) ----(MP exp) NC(C(Br)=CF) -27.5PredN
BrC1CC(F)N18051153.982C3H5BrFN2-bromo-4-fluoroazetidineN116BrC1CC(F)N1InChI=1S/C3H5BrFN/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=XTJOTJAIZPWUAR-UHFFFAOYSA-N141.0Ex 141.00(BP est) -2.66(MP est) ----(BP exp) ----(MP exp) BrC1CC(F)N1 -2.7PredN
NC(F)(C=CBr)8052153.982C3H5BrFN3-bromo-1-fluoroprop-2-en-1-amineN116NC(F)(C=CBr)InChI=1S/C3H5BrFN/c4-2-1-3(5)6/h1-3H,6H2InChIKey=FBGJIQIQDKLJCP-UHFFFAOYSA-N135.9Ex 135.86(BP est) -30.18(MP est) ----(BP exp) ----(MP exp) NC(F)(C=CBr) -30.2PredN
BrC1C(F)(C)N18053153.982C3H5BrFN3-bromo-2-fluoro-2-methylaziridineN116BrC1C(F)(C)N1InChI=1S/C3H5BrFN/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=VVGZTYQGPNYIIK-UHFFFAOYSA-N126.9Ex 126.93(BP est) 6.94(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(C)N1 6.9PredN
FC1NCC1Br8054153.982C3H5BrFN3-bromo-2-fluoroazetidineN116FC1NCC1BrInChI=1S/C3H5BrFN/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=RWXIKAAFFDBISJ-UHFFFAOYSA-N141.0Ex 141.00(BP est) -2.66(MP est) ----(BP exp) ----(MP exp) FC1NCC1Br -2.7PredN
NC(C(F)=CBr)8055153.982C3H5BrFN3-bromo-2-fluoroprop-2-en-1-amineN116NC(C(F)=CBr)InChI=1S/C3H5BrFN/c4-1-3(5)2-6/h1H,2,6H2InChIKey=AWCWTEOFTJNUER-UHFFFAOYSA-N143.3Ex 143.28(BP est) -27.49(MP est) ----(BP exp) ----(MP exp) NC(C(F)=CBr) -27.5PredN
BrC1(F)CNC18056153.982C3H5BrFN3-bromo-3-fluoroazetidineN116BrC1(F)CNC1InChI=1S/C3H5BrFN/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=XBWJTTVGAVUENZ-UHFFFAOYSA-N135.6Ex 135.64(BP est) 9.84(MP est) ----(BP exp) ----(MP exp) BrC1(F)CNC1 9.8PredN
NC(C=C(Br)F)8057153.982C3H5BrFN3-bromo-3-fluoroprop-2-en-1-amineN116NC(C=C(Br)F)InChI=1S/C3H5BrFN/c4-3(5)1-2-6/h1H,2,6H2InChIKey=LLANKDZVRILPGI-UHFFFAOYSA-N143.3Ex 143.28(BP est) -27.49(MP est) ----(BP exp) ----(MP exp) NC(C=C(Br)F) -27.5PredN
NCOC(C)Br8059154.007C3H8BrNO(1-bromoethoxy)methanamineN146NCOC(C)BrInChI=1S/C3H8BrNO/c1-3(4)6-2-5/h3H,2,5H2,1H3InChIKey=ODPFKRUVTSRFMG-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NCOC(C)Br -12.7PredN
NCOC(CBr)8060154.007C3H8BrNO(2-bromoethoxy)methanamineN146NCOC(CBr)InChI=1S/C3H8BrNO/c4-1-2-6-3-5/h1-3,5H2InChIKey=OUFGZENZKPDJIR-UHFFFAOYSA-N163.1Ex 163.14(BP est) -1.35(MP est) ----(BP exp) ----(MP exp) NCOC(CBr) -1.4PredN
NC(OCBr)C8061154.007C3H8BrNO1-(bromomethoxy)ethan-1-amineN146NC(OCBr)CInChI=1S/C3H8BrNO/c1-3(5)6-2-4/h3H,2,5H2,1H3InChIKey=BSMCCJCMUIDWRV-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NC(OCBr)C -12.7PredN
CNCOCBr8062154.007C3H8BrNO1-(bromomethoxy)-N-methylmethanamineN146CNCOCBrInChI=1S/C3H8BrNO/c1-5-3-6-2-4/h5H,2-3H2,1H3InChIKey=RWDCGQBJVVREOE-UHFFFAOYSA-N146.0Ex 146.04(BP est) -21.64(MP est) ----(BP exp) ----(MP exp) CNCOCBr -21.6PredN
NC(Br)C(O)(C)8063154.007C3H8BrNO1-amino-1-bromopropan-2-olN146NC(Br)C(O)(C)InChI=1S/C3H8BrNO/c1-2(6)3(4)5/h2-3,6H,5H2,1H3InChIKey=VNMAFKSYUWKPGJ-UHFFFAOYSA-N187.9Ex 187.85(BP est) 10.16(MP est) ----(BP exp) ----(MP exp) NC(Br)C(O)(C) 10.2PredN
NCC(O)(Br)(C)8064154.007C3H8BrNO1-amino-2-bromopropan-2-olN146NCC(O)(Br)(C)InChI=1S/C3H8BrNO/c1-3(4,6)2-5/h6H,2,5H2,1H3InChIKey=HXPBOKNWFCMFGS-UHFFFAOYSA-N182.5Ex 182.49(BP est) 24.80(MP est) ----(BP exp) ----(MP exp) NCC(O)(Br)(C) 24.8PredN
NCC(O)(CBr)8065154.007C3H8BrNO1-amino-3-bromopropan-2-olN146NCC(O)(CBr)InChI=1S/C3H8BrNO/c4-1-3(6)2-5/h3,6H,1-2,5H2InChIKey=CZRYJTQYWQLCGL-UHFFFAOYSA-N200.0Ex 200.02(BP est) 21.21(MP est) ----(BP exp) ----(MP exp) NCC(O)(CBr) 21.2PredN
NC(C)(OC)Br8066154.007C3H8BrNO1-bromo-1-methoxyethan-1-amineN146NC(C)(OC)BrInChI=1S/C3H8BrNO/c1-3(4,5)6-2/h5H2,1-2H3InChIKey=CHPWKDZGXJJDGR-UHFFFAOYSA-N141.2Ex 141.19(BP est) -6.55(MP est) ----(BP exp) ----(MP exp) NC(C)(OC)Br -6.6PredN
CNC(OC)Br8067154.007C3H8BrNO1-bromo-1-methoxy-N-methylmethanamineN146CNC(OC)BrInChI=1S/C3H8BrNO/c1-5-3(4)6-2/h3,5H,1-2H3InChIKey=WCXXLFHNAWHHOG-UHFFFAOYSA-N132.5Ex 132.48(BP est) -33.10(MP est) ----(BP exp) ----(MP exp) CNC(OC)Br -33.1PredN
CNCC(O)(Br)8068154.007C3H8BrNO1-bromo-2-(methylamino)ethan-1-olN146CNCC(O)(Br)InChI=1S/C3H8BrNO/c1-5-2-3(4)6/h3,5-6H,2H2,1H3InChIKey=IDUHPYYOLTTYLK-UHFFFAOYSA-N184.2Ex 184.17(BP est) 1.28(MP est) ----(BP exp) ----(MP exp) CNCC(O)(Br) 1.3PredN
NC(COC)Br8069154.007C3H8BrNO1-bromo-2-methoxyethan-1-amineN146NC(COC)BrInChI=1S/C3H8BrNO/c1-6-2-3(4)5/h3H,2,5H2,1H3InChIKey=LSWNCJXCSDICED-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NC(COC)Br -12.7PredN
BrCNCOC8070154.007C3H8BrNO1-bromo-N-(methoxymethyl)methanamineN146BrCNCOCInChI=1S/C3H8BrNO/c1-6-3-5-2-4/h5H,2-3H2,1H3InChIKey=LGONNAXAQBSJKS-UHFFFAOYSA-N146.0Ex 146.04(BP est) -21.64(MP est) ----(BP exp) ----(MP exp) BrCNCOC -21.6PredN
C(Br)NCC(O)8071154.007C3H8BrNO2-((bromomethyl)amino)ethan-1-olN146C(Br)NCC(O)InChI=1S/C3H8BrNO/c4-3-5-1-2-6/h5-6H,1-3H2InChIKey=HXJFTUOBAMQEPR-UHFFFAOYSA-N202.9Ex 202.88(BP est) 14.24(MP est) ----(BP exp) ----(MP exp) C(Br)NCC(O) 14.2PredN
NCCOC(Br)8072154.007C3H8BrNO2-(bromomethoxy)ethan-1-amineN146NCCOC(Br)InChI=1S/C3H8BrNO/c4-3-6-2-1-5/h1-3,5H2InChIKey=RLAFBOPTXABQNJ-UHFFFAOYSA-N163.1Ex 163.14(BP est) -1.35(MP est) ----(BP exp) ----(MP exp) NCCOC(Br) -1.4PredN
NC(C)C(O)(Br)8073154.007C3H8BrNO2-amino-1-bromopropan-1-olN146NC(C)C(O)(Br)InChI=1S/C3H8BrNO/c1-2(5)3(4)6/h2-3,6H,5H2,1H3InChIKey=GHDNNCOEWNMSII-UHFFFAOYSA-N187.9Ex 187.85(BP est) 10.16(MP est) ----(BP exp) ----(MP exp) NC(C)C(O)(Br) 10.2PredN
NC(Br)(C)C(O)8074154.007C3H8BrNO2-amino-2-bromopropan-1-olN146NC(Br)(C)C(O)InChI=1S/C3H8BrNO/c1-3(4,5)2-6/h6H,2,5H2,1H3InChIKey=ROVFPOJMFJHHLF-UHFFFAOYSA-N198.6Ex 198.56(BP est) 29.49(MP est) ----(BP exp) ----(MP exp) NC(Br)(C)C(O) 29.5PredN
NC(CBr)C(O)8075154.007C3H8BrNO2-amino-3-bromopropan-1-olN146NC(CBr)C(O)InChI=1S/C3H8BrNO/c4-1-3(5)2-6/h3,6H,1-2,5H2InChIKey=FJANXIFKSNMRFT-UHFFFAOYSA-N206.4Ex 206.41(BP est) 23.07(MP est) ----(BP exp) ----(MP exp) NC(CBr)C(O) 23.1PredN
NC(OC)CBr8076154.007C3H8BrNO2-bromo-1-methoxyethan-1-amineN146NC(OC)CBrInChI=1S/C3H8BrNO/c1-6-3(5)2-4/h3H,2,5H2,1H3InChIKey=HMADAIYVQSLUKT-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NC(OC)CBr -12.7PredN
CNC(Br)C(O)8077154.007C3H8BrNO2-bromo-2-(methylamino)ethan-1-olN146CNC(Br)C(O)InChI=1S/C3H8BrNO/c1-5-3(4)2-6/h3,5-6H,2H2,1H3InChIKey=UVTYKFJAWCHARO-UHFFFAOYSA-N190.8Ex 190.79(BP est) 3.21(MP est) ----(BP exp) ----(MP exp) CNC(Br)C(O) 3.2PredN
NCC(OC)Br8078154.007C3H8BrNO2-bromo-2-methoxyethan-1-amineN146NCC(OC)BrInChI=1S/C3H8BrNO/c1-6-3(4)2-5/h3H,2,5H2,1H3InChIKey=WYBIUPYTRYJINN-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NCC(OC)Br -12.7PredN
NCCC(O)(Br)8079154.007C3H8BrNO3-amino-1-bromopropan-1-olN146NCCC(O)(Br)InChI=1S/C3H8BrNO/c4-3(6)1-2-5/h3,6H,1-2,5H2InChIKey=VUAKFSQUJGWBFN-UHFFFAOYSA-N200.0Ex 200.02(BP est) 21.21(MP est) ----(BP exp) ----(MP exp) NCCC(O)(Br) 21.2PredN
NCC(Br)C(O)8080154.007C3H8BrNO3-amino-2-bromopropan-1-olN146NCC(Br)C(O)InChI=1S/C3H8BrNO/c4-3(1-5)2-6/h3,6H,1-2,5H2InChIKey=MLSKPBADEOWGDR-UHFFFAOYSA-N206.4Ex 206.41(BP est) 23.07(MP est) ----(BP exp) ----(MP exp) NCC(Br)C(O) 23.1PredN
NC(Br)CC(O)8081154.007C3H8BrNO3-amino-3-bromopropan-1-olN146NC(Br)CC(O)InChI=1S/C3H8BrNO/c4-3(5)1-2-6/h3,6H,1-2,5H2InChIKey=MULVAKTYMUMZCJ-UHFFFAOYSA-N206.4Ex 206.41(BP est) 23.07(MP est) ----(BP exp) ----(MP exp) NC(Br)CC(O) 23.1PredN
NC(OCC)Br8082154.007C3H8BrNObromo(ethoxy)methanamineN146NC(OCC)BrInChI=1S/C3H8BrNO/c1-2-6-3(4)5/h3H,2,5H2,1H3InChIKey=LSKOQHDPIBKIFL-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NC(OCC)Br -12.7PredN
CN(O)C(C)Br8083154.007C3H8BrNON-(1-bromoethyl)-N-methylhydroxylamineN146CN(O)C(C)BrInChI=1S/C3H8BrNO/c1-3(4)5(2)6/h3,6H,1-2H3InChIKey=AGEKWYXEDMFFSQ-UHFFFAOYSA-N249.5Ex 249.51(BP est) 33.34(MP est) ----(BP exp) ----(MP exp) CN(O)C(C)Br 33.3PredN
BrC(C)NOC8084154.007C3H8BrNON-(1-bromoethyl)-O-methylhydroxylamineN146BrC(C)NOCInChI=1S/C3H8BrNO/c1-3(4)5-6-2/h3,5H,1-2H3InChIKey=JLJLNEANVQVSFL-UHFFFAOYSA-N132.5Ex 132.48(BP est) -33.10(MP est) ----(BP exp) ----(MP exp) BrC(C)NOC -33.1PredN
BrC(CC)NO8085154.007C3H8BrNON-(1-bromopropyl)hydroxylamineN146BrC(CC)NOInChI=1S/C3H8BrNO/c1-2-3(4)5-6/h3,5-6H,2H2,1H3InChIKey=FBGHNUAKLMHOCS-UHFFFAOYSA-N205.5Ex 205.49(BP est) 7.51(MP est) ----(BP exp) ----(MP exp) BrC(CC)NO 7.5PredN
BrCCN(O)C8086154.007C3H8BrNON-(2-bromoethyl)-N-methylhydroxylamineN146BrCCN(O)CInChI=1S/C3H8BrNO/c1-5(6)3-2-4/h6H,2-3H2,1H3InChIKey=DJQRQFLCVYBJLF-UHFFFAOYSA-N259.9Ex 259.91(BP est) 43.88(MP est) ----(BP exp) ----(MP exp) BrCCN(O)C 43.9PredN
BrCCNOC8087154.007C3H8BrNON-(2-bromoethyl)-O-methylhydroxylamineN146BrCCNOCInChI=1S/C3H8BrNO/c1-6-5-3-2-4/h5H,2-3H2,1H3InChIKey=RNGQELHPNGUWNL-UHFFFAOYSA-N146.0Ex 146.04(BP est) -21.64(MP est) ----(BP exp) ----(MP exp) BrCCNOC -21.6PredN
BrC(C)CNO8088154.007C3H8BrNON-(2-bromopropyl)hydroxylamineN146BrC(C)CNOInChI=1S/C3H8BrNO/c1-3(4)2-5-6/h3,5-6H,2H2,1H3InChIKey=NNKVOAMUGGRJRK-UHFFFAOYSA-N205.5Ex 205.49(BP est) 7.51(MP est) ----(BP exp) ----(MP exp) BrC(C)CNO 7.5PredN
CN(OC)CBr8089154.007C3H8BrNON-(bromomethyl)-N,O-dimethylhydroxylamineN146CN(OC)CBrInChI=1S/C3H8BrNO/c1-5(3-4)6-2/h3H2,1-2H3InChIKey=ZGNGSYVGQIKBCU-UHFFFAOYSA-N125.7Ex 125.73(BP est) -37.67(MP est) ----(BP exp) ----(MP exp) CN(OC)CBr -37.7PredN
BrCN(O)CC8090154.007C3H8BrNON-(bromomethyl)-N-ethylhydroxylamineN146BrCN(O)CCInChI=1S/C3H8BrNO/c1-2-5(6)3-4/h6H,2-3H2,1H3InChIKey=VNJVJRVLUSABJH-UHFFFAOYSA-N259.9Ex 259.91(BP est) 43.88(MP est) ----(BP exp) ----(MP exp) BrCN(O)CC 43.9PredN
BrCNOCC8091154.007C3H8BrNON-(bromomethyl)-O-ethylhydroxylamineN146BrCNOCCInChI=1S/C3H8BrNO/c1-2-6-5-3-4/h5H,2-3H2,1H3InChIKey=FCPYVPXXIWFTHZ-UHFFFAOYSA-N146.0Ex 146.04(BP est) -21.64(MP est) ----(BP exp) ----(MP exp) BrCNOCC -21.6PredN
CNOC(C)Br8092154.007C3H8BrNOO-(1-bromoethyl)-N-methylhydroxylamineN146CNOC(C)BrInChI=1S/C3H8BrNO/c1-3(4)6-5-2/h3,5H,1-2H3InChIKey=ORKTVRMDIZIUMR-UHFFFAOYSA-N132.5Ex 132.48(BP est) -33.10(MP est) ----(BP exp) ----(MP exp) CNOC(C)Br -33.1PredN
NOC(CC)Br8093154.007C3H8BrNOO-(1-bromopropyl)hydroxylamineN146NOC(CC)BrInChI=1S/C3H8BrNO/c1-2-3(4)6-5/h3H,2,5H2,1H3InChIKey=DZWOQRJEIGUWLE-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NOC(CC)Br -12.7PredN
CNOCCBr8094154.007C3H8BrNOO-(2-bromoethyl)-N-methylhydroxylamineN146CNOCCBrInChI=1S/C3H8BrNO/c1-5-6-3-2-4/h5H,2-3H2,1H3InChIKey=DUDVDKJKDLWZSK-UHFFFAOYSA-N146.0Ex 146.04(BP est) -21.64(MP est) ----(BP exp) ----(MP exp) CNOCCBr -21.6PredN
NOCC(C)Br8095154.007C3H8BrNOO-(2-bromopropyl)hydroxylamineN146NOCC(C)BrInChI=1S/C3H8BrNO/c1-3(4)2-6-5/h3H,2,5H2,1H3InChIKey=GPANLIGEDGTQJK-UHFFFAOYSA-N150.0Ex 150.01(BP est) -12.69(MP est) ----(BP exp) ----(MP exp) NOCC(C)Br -12.7PredN
NOCCCBr8096154.007C3H8BrNOO-(3-bromopropyl)hydroxylamineN146NOCCCBrInChI=1S/C3H8BrNO/c4-2-1-3-6-5/h1-3,5H2InChIKey=CUNMLQCOZJHBIH-UHFFFAOYSA-N163.1Ex 163.14(BP est) -1.35(MP est) ----(BP exp) ----(MP exp) NOCCCBr -1.4PredN
CN(OCBr)C8097154.007C3H8BrNOO-(bromomethyl)-N,N-dimethylhydroxylamineN146CN(OCBr)CInChI=1S/C3H8BrNO/c1-5(2)6-3-4/h3H2,1-2H3InChIKey=SBNGHJXACCVWTG-UHFFFAOYSA-N125.7Ex 125.73(BP est) -37.67(MP est) ----(BP exp) ----(MP exp) CN(OCBr)C -37.7PredN
CCNOCBr8098154.007C3H8BrNOO-(bromomethyl)-N-ethylhydroxylamineN146CCNOCBrInChI=1S/C3H8BrNO/c1-2-5-6-3-4/h5H,2-3H2,1H3InChIKey=KSNXRNCHPVJNMZ-UHFFFAOYSA-N146.0Ex 146.04(BP est) -21.64(MP est) ----(BP exp) ----(MP exp) CCNOCBr -21.6PredN
S\1SSS/C=C/18099154.278C2H2S41,2,3,4-tetrathiineN86S\1SSS/C=C/1InChI=1S/C2H2S4/c1-2-4-6-5-3-1/h1-2HInChIKey=CHPABBPIINYCBG-UHFFFAOYSA-N242.1Ex 242.07(BP est) 61.09(MP est) ----(BP exp) ----(MP exp) S\1SSS/C=C/1 61.1PredY(Votto et al. 2010, Lim 2011)
S=C(S)C(=S)S8100154.278C2H2S4ethanebis(dithioic) acidN86S=C(S)C(=S)SInChI=1S/C2H2S4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)InChIKey=VEODMWBVROANOV-UHFFFAOYSA-N272.3Ex 272.26(BP est) 57.41(MP est) ----(BP exp) ----(MP exp) S=C(S)C(=S)S 57.4PredN
ClC(N1)=C1Br8101154.391C2HBrClN2-bromo-3-chloro-1H-azirineN65ClC(N1)=C1BrInChI=1S/C2HBrClN/c3-1-2(4)5-1/h5HInChIKey=BBFLXGZYWQJTBU-UHFFFAOYSA-N159.7Ex 159.72(BP est) 5.17(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1Br 5.2PredN
O=PC(Br)C8106154.931C2H4BrOP(1-bromoethyl)(oxo)phosphaneN95O=PC(Br)CInChI=1S/C2H4BrOP/c1-2(3)5-4/h2H,1H3InChIKey=SCMJVFRJJQLDBU-UHFFFAOYSA-N146.2Ex 146.23(BP est) -38.98(MP est) ----(BP exp) ----(MP exp) O=PC(Br)C -39PredN
O=PCCBr8108154.931C2H4BrOP(2-bromoethyl)(oxo)phosphaneN95O=PCCBrInChI=1S/C2H4BrOP/c3-1-2-5-4/h1-2H2InChIKey=YAZVYJULLVTMRR-UHFFFAOYSA-N159.5Ex 159.46(BP est) -27.62(MP est) ----(BP exp) ----(MP exp) O=PCCBr -27.6PredN
O=P1C(Br)C18111154.931C2H4BrOP2-bromophosphirane 1-oxideN95O=P1C(Br)C1InChI=1S/C2H4BrOP/c3-2-1-5(2)4/h2,5H,1H2InChIKey=ZQEOQZINBARKHN-UHFFFAOYSA-N159.2Ex 159.16(BP est) -25.16(MP est) ----(BP exp) ----(MP exp) O=P1C(Br)C1 -25.2PredN
BrC(C1F)=C1F8112154.942C3HBrF21-bromo-2,3-difluorocycloprop-1-eneN76BrC(C1F)=C1FInChI=1S/C3HBrF2/c4-1-2(5)3(1)6/h2HInChIKey=XZEHEYSHZPTGSA-UHFFFAOYSA-N85.6Ex 85.61(BP est) -54.27(MP est) ----(BP exp) ----(MP exp) BrC(C1F)=C1F -54.3PredN
BrC1=CC1(F)F8113154.942C3HBrF21-bromo-3,3-difluorocycloprop-1-eneN76BrC1=CC1(F)FInChI=1S/C3HBrF2/c4-2-1-3(2,5)6/h1HInChIKey=JNZRGWULMHMUMA-UHFFFAOYSA-N74.7Ex 74.67(BP est) -51.77(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(F)F -51.8PredN
C(F)(F)(C#CBr)8114154.942C3HBrF21-bromo-3,3-difluoroprop-1-yneN76C(F)(F)(C#CBr)InChI=1S/C3HBrF2/c4-2-1-3(5)6/h3HInChIKey=PMXYURNLRLJCBK-UHFFFAOYSA-N85.4Ex 85.41(BP est) -30.65(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C#CBr) -30.7PredN
FC(C1Br)=C1F8115154.942C3HBrF23-bromo-1,2-difluorocycloprop-1-eneN76FC(C1Br)=C1FInChI=1S/C3HBrF2/c4-1-2(5)3(1)6/h1HInChIKey=XDXNZJYUNMUBGJ-UHFFFAOYSA-N85.6Ex 85.61(BP est) -54.27(MP est) ----(BP exp) ----(MP exp) FC(C1Br)=C1F -54.3PredN
FC1=CC1(F)Br8116154.942C3HBrF23-bromo-1,3-difluorocycloprop-1-eneN76FC1=CC1(F)BrInChI=1S/C3HBrF2/c4-3(6)1-2(3)5/h1HInChIKey=SHCIIGYYTVFJBC-UHFFFAOYSA-N74.7Ex 74.67(BP est) -51.77(MP est) ----(BP exp) ----(MP exp) FC1=CC1(F)Br -51.8PredN
C(Br)(F)(C#CF)8117154.942C3HBrF23-bromo-1,3-difluoroprop-1-yneN76C(Br)(F)(C#CF)InChI=1S/C3HBrF2/c4-3(6)1-2-5/h3HInChIKey=YLTFZACESDXFSO-UHFFFAOYSA-N85.4Ex 85.41(BP est) -30.65(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C#CF) -30.7PredN
C(Br)(F)(F)(C#C)8118154.942C3HBrF23-bromo-3,3-difluoroprop-1-yneN76C(Br)(F)(F)(C#C)InChI=1S/C3HBrF2/c1-2-3(4,5)6/h1HInChIKey=MFALHSUPEWHJHT-UHFFFAOYSA-N66.2Ex 66.23(BP est) -57.10(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(F)(C#C) -57.1PredN
C(Br)(F)OC=C8119154.966C3H4BrFO(bromofluoromethoxy)etheneN106C(Br)(F)OC=CInChI=1S/C3H4BrFO/c1-2-6-3(4)5/h2-3H,1H2InChIKey=AHYQIOKCMGDWCC-UHFFFAOYSA-N88.9Ex 88.89(BP est) -72.74(MP est) ----(BP exp) ----(MP exp) C(Br)(F)OC=C -72.7PredN
C(Br)OC(F)=C8120154.966C3H4BrFO1-(bromomethoxy)-1-fluoroetheneN106C(Br)OC(F)=CInChI=1S/C3H4BrFO/c1-3(5)6-2-4/h1-2H2InChIKey=QAKLFOOCMKSTQE-UHFFFAOYSA-N96.9Ex 96.90(BP est) -69.88(MP est) ----(BP exp) ----(MP exp) C(Br)OC(F)=C -69.9PredN
C(Br)OC=C(F)8121154.966C3H4BrFO1-(bromomethoxy)-2-fluoroetheneN106C(Br)OC=C(F)InChI=1S/C3H4BrFO/c4-3-6-2-1-5/h1-2H,3H2InChIKey=OYDBVPLSZJITQD-UHFFFAOYSA-N112.5Ex 112.54(BP est) -60.00(MP est) ----(BP exp) ----(MP exp) C(Br)OC=C(F) -60PredN
C(F)OC(Br)=C8122154.966C3H4BrFO1-bromo-1-(fluoromethoxy)etheneN106C(F)OC(Br)=CInChI=1S/C3H4BrFO/c1-3(4)6-2-5/h1-2H2InChIKey=ZDSPUULOOFIOSD-UHFFFAOYSA-N96.9Ex 96.90(BP est) -69.88(MP est) ----(BP exp) ----(MP exp) C(F)OC(Br)=C -69.9PredN
COC=C(Br)(F)8123154.966C3H4BrFO1-bromo-1-fluoro-2-methoxyetheneN106COC=C(Br)(F)InChI=1S/C3H4BrFO/c1-6-2-3(4)5/h2H,1H3InChIKey=CQYAKAOKYASIKT-UHFFFAOYSA-N106.1Ex 106.08(BP est) -68.87(MP est) ----(BP exp) ----(MP exp) COC=C(Br)(F) -68.9PredN
OC(Br)(F)(C=C)8124154.966C3H4BrFO1-bromo-1-fluoroprop-2-en-1-olN106OC(Br)(F)(C=C)InChI=1S/C3H4BrFO/c1-2-3(4,5)6/h2,6H,1H2InChIKey=JVAKCZKSUXXCGW-UHFFFAOYSA-N125.0Ex 124.98(BP est) -34.20(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(C=C) -34.2PredN
CC(=O)C(Br)(F)8125154.966C3H4BrFO1-bromo-1-fluoropropan-2-oneN106CC(=O)C(Br)(F)InChI=1S/C3H4BrFO/c1-2(6)3(4)5/h3H,1H3InChIKey=KJWRNRKUSGGJTF-UHFFFAOYSA-N112.6Ex 112.63(BP est) -51.08(MP est) ----(BP exp) ----(MP exp) CC(=O)C(Br)(F) -51.1PredN
C(F)OC=C(Br)8126154.966C3H4BrFO1-bromo-2-(fluoromethoxy)etheneN106C(F)OC=C(Br)InChI=1S/C3H4BrFO/c4-1-2-6-3-5/h1-2H,3H2InChIKey=FXJZZIQROHEFRP-UHFFFAOYSA-N112.5Ex 112.54(BP est) -60.00(MP est) ----(BP exp) ----(MP exp) C(F)OC=C(Br) -60PredN
COC(Br)=C(F)8127154.966C3H4BrFO1-bromo-2-fluoro-1-methoxyetheneN106COC(Br)=C(F)InChI=1S/C3H4BrFO/c1-6-3(4)2-5/h2H,1H3InChIKey=LDIXRDQYNUHVNB-UHFFFAOYSA-N106.1Ex 106.08(BP est) -68.87(MP est) ----(BP exp) ----(MP exp) COC(Br)=C(F) -68.9PredN
OC(Br)(C1)(C1F)8128154.966C3H4BrFO1-bromo-2-fluorocyclopropan-1-olN106OC(Br)(C1)(C1F)InChI=1S/C3H4BrFO/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=LYDRMGCLUPOQOT-UHFFFAOYSA-N134.7Ex 134.74(BP est) -12.88(MP est) ----(BP exp) ----(MP exp) OC(Br)(C1)(C1F) -12.9PredN
OC(Br)(C(F)=C)8129154.966C3H4BrFO1-bromo-2-fluoroprop-2-en-1-olN106OC(Br)(C(F)=C)InChI=1S/C3H4BrFO/c1-2(5)3(4)6/h3,6H,1H2InChIKey=DVYGHFCZHDUGQK-UHFFFAOYSA-N138.4Ex 138.44(BP est) -45.96(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(F)=C) -46PredN
OC(Br)(C=CF)8130154.966C3H4BrFO1-bromo-3-fluoroprop-2-en-1-olN106OC(Br)(C=CF)InChI=1S/C3H4BrFO/c4-3(6)1-2-5/h1-3,6HInChIKey=BYWPFJRQLNGRFA-UHFFFAOYSA-N153.0Ex 153.02(BP est) -36.39(MP est) ----(BP exp) ----(MP exp) OC(Br)(C=CF) -36.4PredN
C(Br)C(=O)C(F)8131154.966C3H4BrFO1-bromo-3-fluoropropan-2-oneN106C(Br)C(=O)C(F)InChI=1S/C3H4BrFO/c4-1-3(6)2-5/h1-2H2InChIKey=PGXWEBQLPGZQBR-UHFFFAOYSA-N126.7Ex 126.66(BP est) -39.49(MP est) ----(BP exp) ----(MP exp) C(Br)C(=O)C(F) -39.5PredN
BrC(F)C1CO18132154.966C3H4BrFO2-(bromofluoromethyl)oxiraneN106BrC(F)C1CO1InChI=1S/C3H4BrFO/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=HJBZYKMVYHBRQV-UHFFFAOYSA-N100.4Ex 100.42(BP est) -57.36(MP est) ----(BP exp) ----(MP exp) BrC(F)C1CO1 -57.4PredN
FC1(CBr)CO18133154.966C3H4BrFO2-(bromomethyl)-2-fluorooxiraneN106FC1(CBr)CO1InChI=1S/C3H4BrFO/c4-1-3(5)2-6-3/h1-2H2InChIKey=DSSNPACQFKPOAU-UHFFFAOYSA-N102.2Ex 102.23(BP est) -37.38(MP est) ----(BP exp) ----(MP exp) FC1(CBr)CO1 -37.4PredN
FC1C(CBr)O18134154.966C3H4BrFO2-(bromomethyl)-3-fluorooxiraneN106FC1C(CBr)O1InChI=1S/C3H4BrFO/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=XGMRSYBHUCTPTN-UHFFFAOYSA-N107.9Ex 107.89(BP est) -49.80(MP est) ----(BP exp) ----(MP exp) FC1C(CBr)O1 -49.8PredN
COC(F)=C(Br)8135154.966C3H4BrFO2-bromo-1-fluoro-1-methoxyetheneN106COC(F)=C(Br)InChI=1S/C3H4BrFO/c1-6-3(5)2-4/h2H,1H3InChIKey=OXBAQZAFYKLPAH-UHFFFAOYSA-N106.1Ex 106.08(BP est) -68.87(MP est) ----(BP exp) ----(MP exp) COC(F)=C(Br) -68.9PredN
OC(F)(C1)(C1Br)8136154.966C3H4BrFO2-bromo-1-fluorocyclopropan-1-olN106OC(F)(C1)(C1Br)InChI=1S/C3H4BrFO/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=XZKANMLEBOJIIM-UHFFFAOYSA-N134.7Ex 134.74(BP est) -12.88(MP est) ----(BP exp) ----(MP exp) OC(F)(C1)(C1Br) -12.9PredN
OC(F)(C(Br)=C)8137154.966C3H4BrFO2-bromo-1-fluoroprop-2-en-1-olN106OC(F)(C(Br)=C)InChI=1S/C3H4BrFO/c1-2(4)3(5)6/h3,6H,1H2InChIKey=AZALMZJEJSDWKZ-UHFFFAOYSA-N138.4Ex 138.44(BP est) -45.96(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Br)=C) -46PredN
BrC1(CF)CO18138154.966C3H4BrFO2-bromo-2-(fluoromethyl)oxiraneN106BrC1(CF)CO1InChI=1S/C3H4BrFO/c4-3(1-5)2-6-3/h1-2H2InChIKey=HBSFXGBQQFYDQD-UHFFFAOYSA-N102.2Ex 102.23(BP est) -37.38(MP est) ----(BP exp) ----(MP exp) BrC1(CF)CO1 -37.4PredN
BrC1(F)C(C)O18139154.966C3H4BrFO2-bromo-2-fluoro-3-methyloxiraneN106BrC1(F)C(C)O1InChI=1S/C3H4BrFO/c1-2-3(4,5)6-2/h2H,1H3InChIKey=NTINLINSASNOTN-UHFFFAOYSA-N95.3Ex 95.25(BP est) -41.54(MP est) ----(BP exp) ----(MP exp) BrC1(F)C(C)O1 -41.5PredN
OC(C1)(C1(Br)F)8140154.966C3H4BrFO2-bromo-2-fluorocyclopropan-1-olN106OC(C1)(C1(Br)F)InChI=1S/C3H4BrFO/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=DLMXYOPPTSNIBC-UHFFFAOYSA-N145.2Ex 145.23(BP est) -9.82(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1(Br)F) -9.8PredN
BrC1(F)OCC18141154.966C3H4BrFO2-bromo-2-fluorooxetaneN106BrC1(F)OCC1InChI=1S/C3H4BrFO/c4-3(5)1-2-6-3/h1-2H2InChIKey=ANCYECFKYLZUNA-UHFFFAOYSA-N104.4Ex 104.42(BP est) -38.50(MP est) ----(BP exp) ----(MP exp) BrC1(F)OCC1 -38.5PredN
C(=O)C(Br)(F)(C)8142154.966C3H4BrFO2-bromo-2-fluoropropanalN106C(=O)C(Br)(F)(C)InChI=1S/C3H4BrFO/c1-3(4,5)2-6/h2H,1H3InChIKey=HREJCSBIDXXYIL-UHFFFAOYSA-N117.0Ex 116.98(BP est) -45.07(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(F)(C) -45.1PredN
BrC1C(CF)O18143154.966C3H4BrFO2-bromo-3-(fluoromethyl)oxiraneN106BrC1C(CF)O1InChI=1S/C3H4BrFO/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=JGOFYTJIRBTPCJ-UHFFFAOYSA-N107.9Ex 107.89(BP est) -49.80(MP est) ----(BP exp) ----(MP exp) BrC1C(CF)O1 -49.8PredN
FC1C(Br)(C)O18144154.966C3H4BrFO2-bromo-3-fluoro-2-methyloxiraneN106FC1C(Br)(C)O1InChI=1S/C3H4BrFO/c1-3(4)2(5)6-3/h2H,1H3InChIKey=PCUYEBDWEABMBW-UHFFFAOYSA-N95.3Ex 95.25(BP est) -41.54(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(C)O1 -41.5PredN
OC(C1Br)(C1F)8145154.966C3H4BrFO2-bromo-3-fluorocyclopropan-1-olN106OC(C1Br)(C1F)InChI=1S/C3H4BrFO/c4-1-2(5)3(1)6/h1-3,6HInChIKey=DNXZKBALAACGBO-UHFFFAOYSA-N150.5Ex 150.50(BP est) -22.35(MP est) ----(BP exp) ----(MP exp) OC(C1Br)(C1F) -22.4PredN
BrC1OCC1F8146154.966C3H4BrFO2-bromo-3-fluorooxetaneN106BrC1OCC1FInChI=1S/C3H4BrFO/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=XSCDOFHFRRUILI-UHFFFAOYSA-N110.1Ex 110.06(BP est) -50.92(MP est) ----(BP exp) ----(MP exp) BrC1OCC1F -50.9PredN
OC(C(Br)=CF)8147154.966C3H4BrFO2-bromo-3-fluoroprop-2-en-1-olN106OC(C(Br)=CF)InChI=1S/C3H4BrFO/c4-3(1-5)2-6/h1,6H,2H2InChIKey=YOLUBAHFVLWBQA-UHFFFAOYSA-N167.2Ex 167.16(BP est) -31.74(MP est) ----(BP exp) ----(MP exp) OC(C(Br)=CF) -31.7PredN
C(=O)C(Br)(CF)8148154.966C3H4BrFO2-bromo-3-fluoropropanalN106C(=O)C(Br)(CF)InChI=1S/C3H4BrFO/c4-3(1-5)2-6/h2-3H,1H2InChIKey=BOJUXOHDHHPNJF-UHFFFAOYSA-N126.2Ex 126.17(BP est) -51.10(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(CF) -51.1PredN
BrC1CC(F)O18149154.966C3H4BrFO2-bromo-4-fluorooxetaneN106BrC1CC(F)O1InChI=1S/C3H4BrFO/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=FVGOKYIYTKXVNS-UHFFFAOYSA-N110.1Ex 110.06(BP est) -50.92(MP est) ----(BP exp) ----(MP exp) BrC1CC(F)O1 -50.9PredN
OC(F)(C=CBr)8150154.966C3H4BrFO3-bromo-1-fluoroprop-2-en-1-olN106OC(F)(C=CBr)InChI=1S/C3H4BrFO/c4-2-1-3(5)6/h1-3,6HInChIKey=XTLPRHHARVANGA-UHFFFAOYSA-N153.0Ex 153.02(BP est) -36.39(MP est) ----(BP exp) ----(MP exp) OC(F)(C=CBr) -36.4PredN
BrC1C(F)(C)O18151154.966C3H4BrFO3-bromo-2-fluoro-2-methyloxiraneN106BrC1C(F)(C)O1InChI=1S/C3H4BrFO/c1-3(5)2(4)6-3/h2H,1H3InChIKey=ICILGCQQRWSYOY-UHFFFAOYSA-N95.3Ex 95.25(BP est) -41.54(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(C)O1 -41.5PredN
FC1OCC1Br8152154.966C3H4BrFO3-bromo-2-fluorooxetaneN106FC1OCC1BrInChI=1S/C3H4BrFO/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=PGTYUVXWOLEBIK-UHFFFAOYSA-N110.1Ex 110.06(BP est) -50.92(MP est) ----(BP exp) ----(MP exp) FC1OCC1Br -50.9PredN
OC(C(F)=CBr)8153154.966C3H4BrFO3-bromo-2-fluoroprop-2-en-1-olN106OC(C(F)=CBr)InChI=1S/C3H4BrFO/c4-1-3(5)2-6/h1,6H,2H2InChIKey=BQSSMHGXNZGGPK-UHFFFAOYSA-N167.2Ex 167.16(BP est) -31.74(MP est) ----(BP exp) ----(MP exp) OC(C(F)=CBr) -31.7PredN
C(=O)C(F)(CBr)8154154.966C3H4BrFO3-bromo-2-fluoropropanalN106C(=O)C(F)(CBr)InChI=1S/C3H4BrFO/c4-1-3(5)2-6/h2-3H,1H2InChIKey=ZZQPHFUQVFLACP-UHFFFAOYSA-N126.2Ex 126.17(BP est) -51.10(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(CBr) -51.1PredN
BrC1(F)COC18155154.966C3H4BrFO3-bromo-3-fluorooxetaneN106BrC1(F)COC1InChI=1S/C3H4BrFO/c4-3(5)1-6-2-3/h1-2H2InChIKey=YJWAFDKUJVPKSH-UHFFFAOYSA-N104.4Ex 104.42(BP est) -38.50(MP est) ----(BP exp) ----(MP exp) BrC1(F)COC1 -38.5PredN
OC(C=C(Br)F)8156154.966C3H4BrFO3-bromo-3-fluoroprop-2-en-1-olN106OC(C=C(Br)F)InChI=1S/C3H4BrFO/c4-3(5)1-2-6/h1,6H,2H2InChIKey=OLSCRMIVVUQDDM-UHFFFAOYSA-N167.2Ex 167.16(BP est) -31.74(MP est) ----(BP exp) ----(MP exp) OC(C=C(Br)F) -31.7PredN
C(=O)C(C(Br)F)8157154.966C3H4BrFO3-bromo-3-fluoropropanalN106C(=O)C(C(Br)F)InChI=1S/C3H4BrFO/c4-3(5)1-2-6/h2-3H,1H2InChIKey=ZEVHZQXVJJEHCB-UHFFFAOYSA-N126.2Ex 126.17(BP est) -51.10(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(Br)F) -51.1PredN
CPC(C)Br8158154.975C3H8BrP(1-bromoethyl)(methyl)phosphaneN135CPC(C)BrInChI=1S/C3H8BrP/c1-3(4)5-2/h3,5H,1-2H3InChIKey=ZFXADDIXEIODOI-UHFFFAOYSA-N103.7Ex 103.68(BP est) -71.46(MP est) ----(BP exp) ----(MP exp) CPC(C)Br -71.5PredN
CC(P)CBr8159154.975C3H8BrP(1-bromopropan-2-yl)phosphaneN135CC(P)CBrInChI=1S/C3H8BrP/c1-3(5)2-4/h3H,2,5H2,1H3InChIKey=GGOOAQSLNBMVAD-UHFFFAOYSA-N123.9Ex 123.87(BP est) -57.38(MP est) ----(BP exp) ----(MP exp) CC(P)CBr -57.4PredN
BrC(P)CC8160154.975C3H8BrP(1-bromopropyl)phosphaneN135BrC(P)CCInChI=1S/C3H8BrP/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=LXSGWGSXEBXFCX-UHFFFAOYSA-N123.9Ex 123.87(BP est) -57.38(MP est) ----(BP exp) ----(MP exp) BrC(P)CC -57.4PredN
CPCCBr8161154.975C3H8BrP(2-bromoethyl)(methyl)phosphaneN135CPCCBrInChI=1S/C3H8BrP/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=ASNXTMVJIVXISW-UHFFFAOYSA-N117.9Ex 117.91(BP est) -59.80(MP est) ----(BP exp) ----(MP exp) CPCCBr -59.8PredN
BrC(C)(P)C8162154.975C3H8BrP(2-bromopropan-2-yl)phosphaneN135BrC(C)(P)CInChI=1S/C3H8BrP/c1-3(2,4)5/h5H2,1-2H3InChIKey=IQOZAZGROMFPED-UHFFFAOYSA-N114.6Ex 114.64(BP est) -51.36(MP est) ----(BP exp) ----(MP exp) BrC(C)(P)C -51.4PredN
BrC(C)CP8163154.975C3H8BrP(2-bromopropyl)phosphaneN135BrC(C)CPInChI=1S/C3H8BrP/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=WAYQRUZWUBIVNN-UHFFFAOYSA-N123.9Ex 123.87(BP est) -57.38(MP est) ----(BP exp) ----(MP exp) BrC(C)CP -57.4PredN
BrCCCP8164154.975C3H8BrP(3-bromopropyl)phosphaneN135BrCCCPInChI=1S/C3H8BrP/c4-2-1-3-5/h1-3,5H2InChIKey=LQFMFEQCLGVNEH-UHFFFAOYSA-N137.6Ex 137.63(BP est) -45.86(MP est) ----(BP exp) ----(MP exp) BrCCCP -45.9PredN
BrCPCC8165154.975C3H8BrP(bromomethyl)(ethyl)phosphaneN135BrCPCCInChI=1S/C3H8BrP/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=CTPKBLMRJGWQGT-UHFFFAOYSA-N117.9Ex 117.91(BP est) -59.80(MP est) ----(BP exp) ----(MP exp) BrCPCC -59.8PredN
CP(CBr)C8166154.975C3H8BrP(bromomethyl)dimethylphosphaneN135CP(CBr)CInChI=1S/C3H8BrP/c1-5(2)3-4/h3H2,1-2H3InChIKey=YWJSTPSKKBKOAG-UHFFFAOYSA-N118.9Ex 118.85(BP est) -60.21(MP est) ----(BP exp) ----(MP exp) CP(CBr)C -60.2PredN
BrC(S1)=C1F8167154.984C2BrFS2-bromo-3-fluorothiireneN55BrC(S1)=C1FInChI=1S/C2BrFS/c3-1-2(4)5-1InChIKey=JLDLQVBBDOALGW-UHFFFAOYSA-N131.8Ex 131.77(BP est) -5.88(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1F -5.9PredN
OCOC(Br)(C)8168154.991C3H7BrO2(1-bromoethoxy)methanolN136OCOC(Br)(C)InChI=1S/C3H7BrO2/c1-3(4)6-2-5/h3,5H,2H2,1H3InChIKey=SSURLVMEQLIWIJ-UHFFFAOYSA-N173.6Ex 173.59(BP est) -17.02(MP est) ----(BP exp) ----(MP exp) OCOC(Br)(C) -17PredN
OCOC(CBr)8169154.991C3H7BrO2(2-bromoethoxy)methanolN136OCOC(CBr)InChI=1S/C3H7BrO2/c4-1-2-6-3-5/h5H,1-3H2InChIKey=GTWCNKCNIWWIDY-UHFFFAOYSA-N186.1Ex 186.13(BP est) -5.86(MP est) ----(BP exp) ----(MP exp) OCOC(CBr) -5.9PredN
OC(C)OC(Br)8170154.991C3H7BrO21-(bromomethoxy)ethan-1-olN136OC(C)OC(Br)InChI=1S/C3H7BrO2/c1-3(5)6-2-4/h3,5H,2H2,1H3InChIKey=SYIOYCMPRZERJJ-UHFFFAOYSA-N166.7Ex 166.73(BP est) -19.02(MP est) ----(BP exp) ----(MP exp) OC(C)OC(Br) -19PredN
OC(Br)(OC)C8171154.991C3H7BrO21-bromo-1-methoxyethan-1-olN136OC(Br)(OC)CInChI=1S/C3H7BrO2/c1-3(4,5)6-2/h5H,1-2H3InChIKey=XIXLMKMWMQWPMH-UHFFFAOYSA-N148.0Ex 147.95(BP est) -15.80(MP est) ----(BP exp) ----(MP exp) OC(Br)(OC)C -15.8PredN
OC(Br)COC8172154.991C3H7BrO21-bromo-2-methoxyethan-1-olN136OC(Br)COCInChI=1S/C3H7BrO2/c1-6-2-3(4)5/h3,5H,2H2,1H3InChIKey=LIQNMZZNTRRGBL-UHFFFAOYSA-N166.7Ex 166.73(BP est) -19.02(MP est) ----(BP exp) ----(MP exp) OC(Br)COC -19PredN
OCCOC(Br)8173154.991C3H7BrO22-(bromomethoxy)ethan-1-olN136OCCOC(Br)InChI=1S/C3H7BrO2/c4-3-6-2-1-5/h5H,1-3H2InChIKey=UTNMTEBVLIRVTR-UHFFFAOYSA-N186.1Ex 186.13(BP est) -5.86(MP est) ----(BP exp) ----(MP exp) OCCOC(Br) -5.9PredN
OC(CBr)OC8174154.991C3H7BrO22-bromo-1-methoxyethan-1-olN136OC(CBr)OCInChI=1S/C3H7BrO2/c1-6-3(5)2-4/h3,5H,2H2,1H3InChIKey=GUVZSWAGRIRXKC-UHFFFAOYSA-N166.7Ex 166.73(BP est) -19.02(MP est) ----(BP exp) ----(MP exp) OC(CBr)OC -19PredN
OCC(Br)OC8175154.991C3H7BrO22-bromo-2-methoxyethan-1-olN136OCC(Br)OCInChI=1S/C3H7BrO2/c1-6-3(4)2-5/h3,5H,2H2,1H3InChIKey=GATFIAQRSGLJHR-UHFFFAOYSA-N173.6Ex 173.59(BP est) -17.02(MP est) ----(BP exp) ----(MP exp) OCC(Br)OC -17PredN
OC(Br)OC(C)8176154.991C3H7BrO2bromo(ethoxy)methanolN136OC(Br)OC(C)InChI=1S/C3H7BrO2/c1-2-6-3(4)5/h3,5H,2H2,1H3InChIKey=BYUPXQHWGOCAKM-UHFFFAOYSA-N166.7Ex 166.73(BP est) -19.02(MP est) ----(BP exp) ----(MP exp) OC(Br)OC(C) -19PredN
COCOCBr8177154.991C3H7BrO2bromo(methoxymethoxy)methaneN136COCOCBrInChI=1S/C3H7BrO2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=DTOVQCZHDALCPE-UHFFFAOYSA-N127.3Ex 127.26(BP est) -42.34(MP est) ----(BP exp) ----(MP exp) COCOCBr -42.3PredN
COC(OC)Br8178154.991C3H7BrO2bromodimethoxymethaneN136COC(OC)BrInChI=1S/C3H7BrO2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=RBLJREJFEZLIOG-UHFFFAOYSA-N113.3Ex 113.25(BP est) -53.93(MP est) ----(BP exp) ----(MP exp) COC(OC)Br -53.9PredN
C(C)(C)(C(Br)F)8179155.01C4H8BrF1-bromo-1-fluoro-2-methylpropaneN146C(C)(C)(C(Br)F)InChI=1S/C4H8BrF/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=NJDNMMDNKDXBTE-UHFFFAOYSA-N74.9Ex 74.89(BP est) -88.93(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C(Br)F) -88.9PredN
C(CCC(Br)F)8180155.01C4H8BrF1-bromo-1-fluorobutaneN146C(CCC(Br)F)InChI=1S/C4H8BrF/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=RNYLKZQSBSAUNR-UHFFFAOYSA-N89.8Ex 89.77(BP est) -77.09(MP est) ----(BP exp) ----(MP exp) C(CCC(Br)F) -77.1PredN
C(F)(C)(C)(CBr)8181155.01C4H8BrF1-bromo-2-fluoro-2-methylpropaneN146C(F)(C)(C)(CBr)InChI=1S/C4H8BrF/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=LJNXHUCQQXLSHS-UHFFFAOYSA-N95.5Ex 80.02(BP est) -71.22(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(CBr) -71.2PredN
C(CC(F)CBr)8182155.01C4H8BrF1-bromo-2-fluorobutaneN146C(CC(F)CBr)InChI=1S/C4H8BrF/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=BMJVYLYFMNOKCF-UHFFFAOYSA-N85.0Ex 89.77(BP est) -77.09(MP est) ----(BP exp) ----(MP exp) C(CC(F)CBr) -77.1PredN
C(C)(CBr)(CF)8183155.01C4H8BrF1-bromo-3-fluoro-2-methylpropaneN146C(C)(CBr)(CF)InChI=1S/C4H8BrF/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=HVQNMVPCBWQIJX-UHFFFAOYSA-N89.8Ex 89.77(BP est) -77.09(MP est) ----(BP exp) ----(MP exp) C(C)(CBr)(CF) -77.1PredN
C(C(F)CCBr)8184155.01C4H8BrF1-bromo-3-fluorobutaneN146C(C(F)CCBr)InChI=1S/C4H8BrF/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=ICOSIIBKPOCTDV-UHFFFAOYSA-N89.8Ex 89.77(BP est) -77.09(MP est) ----(BP exp) ----(MP exp) C(C(F)CCBr) -77.1PredN
C(Br)(CCCF)8185155.01C4H8BrF1-bromo-4-fluorobutaneN146C(Br)(CCCF)InChI=1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2InChIKey=WMCUHRDQSHQNRW-UHFFFAOYSA-N135.0Ex 104.32(BP est) -65.34(MP est) 135.00(BP exp) ----(MP exp) C(Br)(CCCF) -65.3PredN
C(Br)(C)(C)(CF)8186155.01C4H8BrF2-bromo-1-fluoro-2-methylpropaneN146C(Br)(C)(C)(CF)InChI=1S/C4H8BrF/c1-4(2,5)3-6/h3H2,1-2H3InChIKey=MQGPGSQDBJNREN-UHFFFAOYSA-N80.0Ex 80.02(BP est) -71.22(MP est) ----(BP exp) ----(MP exp) C(Br)(C)(C)(CF) -71.2PredN
C(CC(Br)CF)8187155.01C4H8BrF2-bromo-1-fluorobutaneN146C(CC(Br)CF)InChI=1S/C4H8BrF/c1-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=ZLDDRLPMIHURFC-UHFFFAOYSA-N80.0Ex 89.77(BP est) -77.09(MP est) ----(BP exp) ----(MP exp) C(CC(Br)CF) -77.1PredN
C(CC(Br)(F)C)8188155.01C4H8BrF2-bromo-2-fluorobutaneN146C(CC(Br)(F)C)InChI=1S/C4H8BrF/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=STXKKTVAQULMKE-UHFFFAOYSA-N80.0Ex 80.02(BP est) -71.22(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(F)C) -71.2PredN
C(C(Br)C(F)C)8189155.01C4H8BrF2-bromo-3-fluorobutaneN146C(C(Br)C(F)C)InChI=1S/C4H8BrF/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=MVQSVOOVCVGPJU-UHFFFAOYSA-N74.9Ex 74.89(BP est) -88.93(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(F)C) -88.9PredN
C(C(Br)CCF)8190155.01C4H8BrF3-bromo-1-fluorobutaneN146C(C(Br)CCF)InChI=1S/C4H8BrF/c1-4(5)2-3-6/h4H,2-3H2,1H3InChIKey=GORARXYFAMEJOT-UHFFFAOYSA-N89.8Ex 89.77(BP est) -77.09(MP est) ----(BP exp) ----(MP exp) C(C(Br)CCF) -77.1PredN
CSC(C)Br8193155.053C3H7BrS(1-bromoethyl)(methyl)sulfaneN125CSC(C)BrInChI=1S/C3H7BrS/c1-3(4)5-2/h3H,1-2H3InChIKey=CDMSRZMUCWSMJY-UHFFFAOYSA-N131.5Ex 131.52(BP est) -53.63(MP est) ----(BP exp) ----(MP exp) CSC(C)Br -53.6PredN
CSCCBr8194155.053C3H7BrS(2-bromoethyl)(methyl)sulfaneN125CSCCBrInChI=1S/C3H7BrS/c1-5-3-2-4/h2-3H2,1H3InChIKey=HPEUGDZNJLIBFP-UHFFFAOYSA-N145.1Ex 145.10(BP est) -42.16(MP est) ----(BP exp) ----(MP exp) CSCCBr -42.2PredN
BrCSCC8195155.053C3H7BrS(bromomethyl)(ethyl)sulfaneN125BrCSCCInChI=1S/C3H7BrS/c1-2-5-3-4/h2-3H2,1H3InChIKey=OEXWAMFYSLBJBF-UHFFFAOYSA-N145.1Ex 145.10(BP est) -42.16(MP est) ----(BP exp) ----(MP exp) BrCSCC -42.2PredN
SC(CC)Br8196155.053C3H7BrS1-bromopropane-1-thiolN125SC(CC)BrInChI=1S/C3H7BrS/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=BWHOGERSMNVBCY-UHFFFAOYSA-N145.0Ex 145.04(BP est) -48.65(MP est) ----(BP exp) ----(MP exp) SC(CC)Br -48.7PredN
SC(CBr)C8197155.053C3H7BrS1-bromopropane-2-thiolN125SC(CBr)CInChI=1S/C3H7BrS/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=KHRVPTNTFIPCOL-UHFFFAOYSA-N145.0Ex 145.04(BP est) -48.65(MP est) ----(BP exp) ----(MP exp) SC(CBr)C -48.7PredN
SCC(C)Br8198155.053C3H7BrS2-bromopropane-1-thiolN125SCC(C)BrInChI=1S/C3H7BrS/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=YDJVEDBJTFMWMF-UHFFFAOYSA-N145.0Ex 145.04(BP est) -48.65(MP est) ----(BP exp) ----(MP exp) SCC(C)Br -48.7PredN
SC(C)(C)Br8199155.053C3H7BrS2-bromopropane-2-thiolN125SC(C)(C)BrInChI=1S/C3H7BrS/c1-3(2,4)5/h5H,1-2H3InChIKey=QABPJZSQKBJZSK-UHFFFAOYSA-N136.1Ex 136.14(BP est) -42.54(MP est) ----(BP exp) ----(MP exp) SC(C)(C)Br -42.5PredN
SCCCBr8200155.053C3H7BrS3-bromopropane-1-thiolN125SCCCBrInChI=1S/C3H7BrS/c4-2-1-3-5/h5H,1-3H2InChIKey=PLMNEJBJFZHNGF-UHFFFAOYSA-N158.3Ex 158.30(BP est) -37.28(MP est) ----(BP exp) ----(MP exp) SCCCBr -37.3PredN
ClC(O1)=C1Br8202155.375C2BrClO2-bromo-3-chlorooxireneN55ClC(O1)=C1BrInChI=1S/C2BrClO/c3-1-2(4)5-1InChIKey=UVWRUMHZPQICLC-UHFFFAOYSA-N129.8Ex 129.82(BP est) -17.23(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1Br -17.2PredN
BrC1(Cl)CC18203155.419C3H4BrCl1-bromo-1-chlorocyclopropaneN95BrC1(Cl)CC1InChI=1S/C3H4BrCl/c4-3(5)1-2-3/h1-2H2InChIKey=RLNPPDIBOCWCDQ-UHFFFAOYSA-N107.5Ex 107.48(BP est) -34.47(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CC1 -34.5PredN
CC=C(Cl)Br8204155.419C3H4BrCl1-bromo-1-chloroprop-1-eneN95CC=C(Cl)BrInChI=1S/C3H4BrCl/c1-2-3(4)5/h2H,1H3InChIKey=XSOMCPNEAAAZNZ-UHFFFAOYSA-N114.7Ex 114.66(BP est) -62.81(MP est) ----(BP exp) ----(MP exp) CC=C(Cl)Br -62.8PredN
ClC1CC1Br8205155.419C3H4BrCl1-bromo-2-chlorocyclopropaneN95ClC1CC1BrInChI=1S/C3H4BrCl/c4-2-1-3(2)5/h2-3H,1H2InChIKey=BIQUOQULLLGQQC-UHFFFAOYSA-N125.8Ex 125.77(BP est) -43.20(MP est) ----(BP exp) ----(MP exp) ClC1CC1Br -43.2PredN
CC(Cl)=CBr8206155.419C3H4BrCl1-bromo-2-chloroprop-1-eneN95CC(Cl)=CBrInChI=1S/C3H4BrCl/c1-3(5)2-4/h2H,1H3InChIKey=LEUMKYBSYBFZEU-UHFFFAOYSA-N114.7Ex 114.66(BP est) -62.81(MP est) ----(BP exp) ----(MP exp) CC(Cl)=CBr -62.8PredN
ClCC=CBr8207155.419C3H4BrCl1-bromo-3-chloroprop-1-eneN95ClCC=CBrInChI=1S/C3H4BrCl/c4-2-1-3-5/h1-2H,3H2InChIKey=XSESUBJBCQPSAT-UHFFFAOYSA-N147.8Ex 147.77(BP est) -46.16(MP est) ----(BP exp) ----(MP exp) ClCC=CBr -46.2PredN
CC(Br)=CCl8208155.419C3H4BrCl2-bromo-1-chloroprop-1-eneN95CC(Br)=CClInChI=1S/C3H4BrCl/c1-3(4)2-5/h2H,1H3InChIKey=XWWDWEGZTUYPAZ-UHFFFAOYSA-N114.7Ex 114.66(BP est) -62.81(MP est) ----(BP exp) ----(MP exp) CC(Br)=CCl -62.8PredN
ClCC(Br)=C8209155.419C3H4BrCl2-bromo-3-chloroprop-1-eneN95ClCC(Br)=CInChI=1S/C3H4BrCl/c1-3(4)2-5/h1-2H2InChIKey=LGQUWHWIEUSLLO-UHFFFAOYSA-N133.1Ex 133.05(BP est) -55.78(MP est) ----(BP exp) ----(MP exp) ClCC(Br)=C -55.8PredN
BrCC=CCl8210155.419C3H4BrCl3-bromo-1-chloroprop-1-eneN95BrCC=CClInChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2InChIKey=AHUWMUAVZFJTOC-UHFFFAOYSA-N121.0Ex 121.03(BP est) -53.97(MP est) ----(BP exp) ----(MP exp) BrCC=CCl -54PredN
BrCC(Cl)=C8211155.419C3H4BrCl3-bromo-2-chloroprop-1-eneN95BrCC(Cl)=CInChI=1S/C3H4BrCl/c1-3(5)2-4/h1-2H2InChIKey=MAYPXMSOHAQNPB-UHFFFAOYSA-N105.6Ex 105.61(BP est) -63.79(MP est) ----(BP exp) ----(MP exp) BrCC(Cl)=C -63.8PredN
BrC(C=C)Cl8212155.419C3H4BrCl3-bromo-3-chloroprop-1-eneN95BrC(C=C)ClInChI=1S/C3H4BrCl/c1-2-3(4)5/h2-3H,1H2InChIKey=ZYWPHLUKBGLOLQ-UHFFFAOYSA-N112.8Ex 112.78(BP est) -62.22(MP est) ----(BP exp) ----(MP exp) BrC(C=C)Cl -62.2PredN
BrC(C(N)=O)F8216155.954C2H3BrFNO2-bromo-2-fluoroacetamideN96BrC(C(N)=O)FInChI=1S/C2H3BrFNO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=VJXYSIXJDWGJNR-UHFFFAOYSA-N231.3Ex 231.26(BP est) 45.94(MP est) ----(BP exp) ----(MP exp) BrC(C(N)=O)F 45.9PredN
BrC1(F)N(O)C18217155.954C2H3BrFNO2-bromo-2-fluoroaziridin-1-olN96BrC1(F)N(O)C1InChI=1S/C2H3BrFNO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=JUJFSZKHIMTWMB-UHFFFAOYSA-N236.1Ex 236.14(BP est) 44.26(MP est) ----(BP exp) ----(MP exp) BrC1(F)N(O)C1 44.3PredN
BrC1(F)NOC18218155.954C2H3BrFNO3-bromo-3-fluoro-1,2-oxazetidineN96BrC1(F)NOC1InChI=1S/C2H3BrFNO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=BTCITLIYLJLYIH-UHFFFAOYSA-N141.7Ex 141.72(BP est) 19.27(MP est) ----(BP exp) ----(MP exp) BrC1(F)NOC1 19.3PredN
BrC1NOC1F8219155.954C2H3BrFNO3-bromo-4-fluoro-1,2-oxazetidineN96BrC1NOC1FInChI=1S/C2H3BrFNO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=JVFLFUATAQTGPX-UHFFFAOYSA-N147.0Ex 147.02(BP est) 6.75(MP est) ----(BP exp) ----(MP exp) BrC1NOC1F 6.8PredN
FC1NOC1Br8220155.954C2H3BrFNO4-bromo-3-fluoro-1,2-oxazetidineN96FC1NOC1BrInChI=1S/C2H3BrFNO/c3-1-2(4)5-6-1/h1-2,5HInChIKey=WGFBCNPJORYEHD-UHFFFAOYSA-N147.0Ex 147.02(BP est) 6.75(MP est) ----(BP exp) ----(MP exp) FC1NOC1Br 6.8PredN
BrC1(F)CNO18221155.954C2H3BrFNO4-bromo-4-fluoro-1,2-oxazetidineN96BrC1(F)CNO1InChI=1S/C2H3BrFNO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=NARFJEWNMDOGRI-UHFFFAOYSA-N141.7Ex 141.72(BP est) 19.27(MP est) ----(BP exp) ----(MP exp) BrC1(F)CNO1 19.3PredN
NOC(Br)=CF8222155.954C2H3BrFNOO-(1-bromo-2-fluorovinyl)hydroxylamineN96NOC(Br)=CFInChI=1S/C2H3BrFNO/c3-2(1-4)6-5/h1H,5H2InChIKey=SIOCAGUJLFJRCZ-UHFFFAOYSA-N144.2Ex 144.15(BP est) -21.76(MP est) ----(BP exp) ----(MP exp) NOC(Br)=CF -21.8PredN
NOC(F)=CBr8223155.954C2H3BrFNOO-(2-bromo-1-fluorovinyl)hydroxylamineN96NOC(F)=CBrInChI=1S/C2H3BrFNO/c3-1-2(4)6-5/h1H,5H2InChIKey=MZWWPUQMJCIQER-UHFFFAOYSA-N144.2Ex 144.15(BP est) -21.76(MP est) ----(BP exp) ----(MP exp) NOC(F)=CBr -21.8PredN
NOC=C(F)Br8224155.954C2H3BrFNOO-(2-bromo-2-fluorovinyl)hydroxylamineN96NOC=C(F)BrInChI=1S/C2H3BrFNO/c3-2(4)1-6-5/h1H,5H2InChIKey=NUFYXXLGQCGRFQ-UHFFFAOYSA-N144.2Ex 144.15(BP est) -21.76(MP est) ----(BP exp) ----(MP exp) NOC=C(F)Br -21.8PredN
CCI8225155.966C2H5IiodoethaneN83CCIInChI=1S/C2H5I/c1-2-3/h2H2,1H3InChIKey=HVTICUPFWKNHNG-UHFFFAOYSA-N71.8Ex 88.94(BP est) -82.26(MP est) 72.50(BP exp) -111.10(MP exp) CCI -111.1ExptY(Laturnus 2001)
CN(C)C(Br)(F)8226155.998C3H7BrFN1-bromo-1-fluoro-N,N-dimethylmethanamineN136CN(C)C(Br)(F)InChI=1S/C3H7BrFN/c1-6(2)3(4)5/h3H,1-2H3InChIKey=USBPBXWURQRLEM-UHFFFAOYSA-N89.1Ex 89.08(BP est) -66.69(MP est) ----(BP exp) ----(MP exp) CN(C)C(Br)(F) -66.7PredN
CNC(Br)(F)(C)8227155.998C3H7BrFN1-bromo-1-fluoro-N-methylethan-1-amineN136CNC(Br)(F)(C)InChI=1S/C3H7BrFN/c1-3(4,5)6-2/h6H,1-2H3InChIKey=OBLFLMIOJJVHMS-UHFFFAOYSA-N101.2Ex 101.22(BP est) -44.34(MP est) ----(BP exp) ----(MP exp) CNC(Br)(F)(C) -44.3PredN
NC(Br)(F)(CC)8228155.998C3H7BrFN1-bromo-1-fluoropropan-1-amineN136NC(Br)(F)(CC)InChI=1S/C3H7BrFN/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=YHVKMPXAWOQQOA-UHFFFAOYSA-N119.7Ex 119.69(BP est) -23.65(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(CC) -23.7PredN
NC(C)(C(Br)F)8229155.998C3H7BrFN1-bromo-1-fluoropropan-2-amineN136NC(C)(C(Br)F)InChI=1S/C3H7BrFN/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=TWSXVRUIWOSCOY-UHFFFAOYSA-N114.9Ex 114.87(BP est) -41.27(MP est) ----(BP exp) ----(MP exp) NC(C)(C(Br)F) -41.3PredN
CNC(Br)(CF)8230155.998C3H7BrFN1-bromo-2-fluoro-N-methylethan-1-amineN136CNC(Br)(CF)InChI=1S/C3H7BrFN/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=NKRISFAQFQAXRQ-UHFFFAOYSA-N110.7Ex 110.65(BP est) -50.30(MP est) ----(BP exp) ----(MP exp) CNC(Br)(CF) -50.3PredN
NC(Br)(C(F)C)8231155.998C3H7BrFN1-bromo-2-fluoropropan-1-amineN136NC(Br)(C(F)C)InChI=1S/C3H7BrFN/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=WZFCVPHOURATDO-UHFFFAOYSA-N114.9Ex 114.87(BP est) -41.27(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(F)C) -41.3PredN
NC(F)(C)(CBr)8232155.998C3H7BrFN1-bromo-2-fluoropropan-2-amineN136NC(F)(C)(CBr)InChI=1S/C3H7BrFN/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=VZKJTOMBIIYABZ-UHFFFAOYSA-N119.7Ex 119.69(BP est) -23.65(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(CBr) -23.7PredN
NC(Br)(CCF)8233155.998C3H7BrFN1-bromo-3-fluoropropan-1-amineN136NC(Br)(CCF)InChI=1S/C3H7BrFN/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=FFKTZKCVWXEMHL-UHFFFAOYSA-N128.9Ex 128.85(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) NC(Br)(CCF) -29.7PredN
NC(CBr)(CF)8234155.998C3H7BrFN1-bromo-3-fluoropropan-2-amineN136NC(CBr)(CF)InChI=1S/C3H7BrFN/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=SPOJUSAXOSMXRB-UHFFFAOYSA-N128.9Ex 128.85(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) NC(CBr)(CF) -29.7PredN
C(F)NC(Br)(C)8235155.998C3H7BrFN1-bromo-N-(fluoromethyl)ethan-1-amineN136C(F)NC(Br)(C)InChI=1S/C3H7BrFN/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=SZLNHHAPOGTGPW-UHFFFAOYSA-N110.7Ex 110.65(BP est) -50.30(MP est) ----(BP exp) ----(MP exp) C(F)NC(Br)(C) -50.3PredN
CN(C(Br))C(F)8236155.998C3H7BrFN1-bromo-N-(fluoromethyl)-N-methylmethanamineN136CN(C(Br))C(F)InChI=1S/C3H7BrFN/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=MZXIOLSGLRLGGR-UHFFFAOYSA-N103.7Ex 103.65(BP est) -54.94(MP est) ----(BP exp) ----(MP exp) CN(C(Br))C(F) -54.9PredN
CNC(F)(CBr)8237155.998C3H7BrFN2-bromo-1-fluoro-N-methylethan-1-amineN136CNC(F)(CBr)InChI=1S/C3H7BrFN/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=CBAJCOVTSFKOQC-UHFFFAOYSA-N110.7Ex 110.65(BP est) -50.30(MP est) ----(BP exp) ----(MP exp) CNC(F)(CBr) -50.3PredN
NC(F)(C(Br)C)8238155.998C3H7BrFN2-bromo-1-fluoropropan-1-amineN136NC(F)(C(Br)C)InChI=1S/C3H7BrFN/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=LSSVBRVYRINRIY-UHFFFAOYSA-N114.9Ex 114.87(BP est) -41.27(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Br)C) -41.3PredN
NC(Br)(C)(CF)8239155.998C3H7BrFN2-bromo-1-fluoropropan-2-amineN136NC(Br)(C)(CF)InChI=1S/C3H7BrFN/c1-3(4,6)2-5/h2,6H2,1H3InChIKey=OLJZYFSWAQVUQW-UHFFFAOYSA-N119.7Ex 119.69(BP est) -23.65(MP est) ----(BP exp) ----(MP exp) NC(Br)(C)(CF) -23.7PredN
CNC(C(Br)F)8240155.998C3H7BrFN2-bromo-2-fluoro-N-methylethan-1-amineN136CNC(C(Br)F)InChI=1S/C3H7BrFN/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=KPWWOHQHCCLCCT-UHFFFAOYSA-N110.7Ex 110.65(BP est) -50.30(MP est) ----(BP exp) ----(MP exp) CNC(C(Br)F) -50.3PredN
NC(C(Br)(F)C)8241155.998C3H7BrFN2-bromo-2-fluoropropan-1-amineN136NC(C(Br)(F)C)InChI=1S/C3H7BrFN/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=RHERQSPSXAWZOP-UHFFFAOYSA-N119.7Ex 119.69(BP est) -23.65(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(F)C) -23.7PredN
NC(C(Br)CF)8242155.998C3H7BrFN2-bromo-3-fluoropropan-1-amineN136NC(C(Br)CF)InChI=1S/C3H7BrFN/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=BQTJYSOOGNJRLC-UHFFFAOYSA-N128.9Ex 128.85(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) NC(C(Br)CF) -29.7PredN
C(F)NC(CBr)8243155.998C3H7BrFN2-bromo-N-(fluoromethyl)ethan-1-amineN136C(F)NC(CBr)InChI=1S/C3H7BrFN/c4-1-2-6-3-5/h6H,1-3H2InChIKey=PUUKMVAYEDJKIS-UHFFFAOYSA-N124.7Ex 124.73(BP est) -38.69(MP est) ----(BP exp) ----(MP exp) C(F)NC(CBr) -38.7PredN
NC(F)(CCBr)8244155.998C3H7BrFN3-bromo-1-fluoropropan-1-amineN136NC(F)(CCBr)InChI=1S/C3H7BrFN/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=VIFJOKBSSGBUKL-UHFFFAOYSA-N128.9Ex 128.85(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) NC(F)(CCBr) -29.7PredN
NC(C(F)CBr)8245155.998C3H7BrFN3-bromo-2-fluoropropan-1-amineN136NC(C(F)CBr)InChI=1S/C3H7BrFN/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=WZKASCBQKDAYFE-UHFFFAOYSA-N128.9Ex 128.85(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) NC(C(F)CBr) -29.7PredN
NC(CC(Br)F)8246155.998C3H7BrFN3-bromo-3-fluoropropan-1-amineN136NC(CC(Br)F)InChI=1S/C3H7BrFN/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=BFOJPWOCFSKNJE-UHFFFAOYSA-N128.9Ex 128.85(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) NC(CC(Br)F) -29.7PredN
C(Br)(F)NC(C)8247155.998C3H7BrFNN-(bromofluoromethyl)ethanamineN136C(Br)(F)NC(C)InChI=1S/C3H7BrFN/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=CTEIETCJLSZRCI-UHFFFAOYSA-N110.7Ex 110.65(BP est) -50.30(MP est) ----(BP exp) ----(MP exp) C(Br)(F)NC(C) -50.3PredN
C(Br)NC(F)(C)8248155.998C3H7BrFNN-(bromomethyl)-1-fluoroethan-1-amineN136C(Br)NC(F)(C)InChI=1S/C3H7BrFN/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=BVNFOIBUWVMEDY-UHFFFAOYSA-N110.7Ex 110.65(BP est) -50.30(MP est) ----(BP exp) ----(MP exp) C(Br)NC(F)(C) -50.3PredN
C(Br)NC(CF)8249155.998C3H7BrFNN-(bromomethyl)-2-fluoroethan-1-amineN136C(Br)NC(CF)InChI=1S/C3H7BrFN/c4-3-6-2-1-5/h6H,1-3H2InChIKey=UWTGEBWTZDISTK-UHFFFAOYSA-N124.7Ex 124.73(BP est) -38.69(MP est) ----(BP exp) ----(MP exp) C(Br)NC(CF) -38.7PredN
S1SSSCC18250156.294C2H4S41,2,3,4-tetrathianeN106S1SSSCC1InChI=1S/C2H4S4/c1-2-4-6-5-3-1/h1-2H2InChIKey=AILGMPPHXLHASV-UHFFFAOYSA-N239.0Ex 238.96(BP est) 59.54(MP est) ----(BP exp) ----(MP exp) S1SSSCC1 59.5PredN
S1SSCSC18251156.294C2H4S41,2,3,5-tetrathianeN106S1SSCSC1InChI=1S/C2H4S4/c1-3-2-5-6-4-1/h1-2H2InChIKey=SXOZCTIVHNLKAZ-UHFFFAOYSA-N239.0Ex 238.96(BP est) 59.54(MP est) ----(BP exp) ----(MP exp) S1SSCSC1 59.5PredY(Dickschat 2014)
S1SCSSC18252156.294C2H4S41,2,4,5-tetrathianeN106S1SCSSC1InChI=1S/C2H4S4/c1-3-5-2-6-4-1/h1-2H2InChIKey=VXTWQLLUXWBOGW-UHFFFAOYSA-N239.0Ex 238.96(BP est) 59.54(MP est) ----(BP exp) ----(MP exp) S1SCSSC1 59.5PredY(Dickschat 2014, Dickschat 2014, DNP 2017)
S/C(S)=C(/S)S8253156.294C2H4S4ethene-1,1,2,2-tetrathiolN106S/C(S)=C(/S)SInChI=1S/C2H4S4/c3-1(4)2(5)6/h3-6HInChIKey=PWVXFRJPIVEVHN-UHFFFAOYSA-N271.0Ex 271.03(BP est) -1.71(MP est) ----(BP exp) ----(MP exp) S/C(S)=C(/S)S -1.7PredN
BrC1(Cl)CN18254156.407C2H3BrClN2-bromo-2-chloroaziridineN85BrC1(Cl)CN1InChI=1S/C2H3BrClN/c3-2(4)1-5-2/h5H,1H2InChIKey=SEFKDROQMFKBDC-UHFFFAOYSA-N144.6Ex 144.60(BP est) 23.25(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CN1 23.3PredN
ClC1C(Br)N18255156.407C2H3BrClN2-bromo-3-chloroaziridineN85ClC1C(Br)N1InChI=1S/C2H3BrClN/c3-1-2(4)5-1/h1-2,5HInChIKey=BOLYXMIQJABIRS-UHFFFAOYSA-N161.8Ex 161.75(BP est) 14.19(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)N1 14.2PredN
PC(Br)=CF8258156.922C2H3BrFP(1-bromo-2-fluorovinyl)phosphaneN85PC(Br)=CFInChI=1S/C2H3BrFP/c3-2(5)1-4/h1H,5H2InChIKey=AKSSNIURBIATBC-UHFFFAOYSA-N117.7Ex 117.73(BP est) -66.53(MP est) ----(BP exp) ----(MP exp) PC(Br)=CF -66.5PredN
PC(F)=CBr8259156.922C2H3BrFP(2-bromo-1-fluorovinyl)phosphaneN85PC(F)=CBrInChI=1S/C2H3BrFP/c3-1-2(4)5/h1H,5H2InChIKey=IJXIUXLUYACOAF-UHFFFAOYSA-N117.7Ex 117.73(BP est) -66.53(MP est) ----(BP exp) ----(MP exp) PC(F)=CBr -66.5PredN
PC=C(Br)F8260156.922C2H3BrFP(2-bromo-2-fluorovinyl)phosphaneN85PC=C(Br)FInChI=1S/C2H3BrFP/c3-2(4)1-5/h1H,5H2InChIKey=MMCUCWUWMUUVNY-UHFFFAOYSA-N117.7Ex 117.73(BP est) -66.53(MP est) ----(BP exp) ----(MP exp) PC=C(Br)F -66.5PredN
BrC1(F)CP18261156.922C2H3BrFP2-bromo-2-fluorophosphiraneN85BrC1(F)CP1InChI=1S/C2H3BrFP/c3-2(4)1-5-2/h5H,1H2InChIKey=AIFRTJZFZZPOGM-UHFFFAOYSA-N85.5Ex 85.54(BP est) -51.91(MP est) ----(BP exp) ----(MP exp) BrC1(F)CP1 -51.9PredN
BrC1C(F)P18262156.922C2H3BrFP2-bromo-3-fluorophosphiraneN85BrC1C(F)P1InChI=1S/C2H3BrFP/c3-1-2(4)5-1/h1-2,5HInChIKey=YMMICZGBNSFQDQ-UHFFFAOYSA-N91.4Ex 91.36(BP est) -64.28(MP est) ----(BP exp) ----(MP exp) BrC1C(F)P1 -64.3PredN
OC(=O)C(Br)(F)8263156.938C2H2BrFO22-bromo-2-fluoroacetic acidN86OC(=O)C(Br)(F)InChI=1S/C2H2BrFO2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=ICTXGKNZADORBH-UHFFFAOYSA-N182.3Ex 182.34(BP est) 18.97(MP est) ----(BP exp) ----(MP exp) OC(=O)C(Br)(F) 19PredN
BrCPOC8267156.947C2H6BrOP(bromomethyl)(methoxy)phosphaneN115BrCPOCInChI=1S/C2H6BrOP/c1-4-5-2-3/h5H,2H2,1H3InChIKey=CDOPIVQXQKEMRW-UHFFFAOYSA-N118.8Ex 118.82(BP est) -54.06(MP est) ----(BP exp) ----(MP exp) BrCPOC -54.1PredN
O=P(C)CBr8268156.947C2H6BrOP(bromomethyl)(methyl)phosphine oxideN115O=P(C)CBrInChI=1S/C2H6BrOP/c1-5(4)2-3/h5H,2H2,1H3InChIKey=BHWGLBCHZOWERV-UHFFFAOYSA-N157.5Ex 157.45(BP est) -36.39(MP est) ----(BP exp) ----(MP exp) O=P(C)CBr -36.4PredN
NCI8269156.954CH4INiodomethanamineN73NCIInChI=1S/CH4IN/c2-1-3/h1,3H2InChIKey=JAHFQMBRFYOPNR-UHFFFAOYSA-N128.1Ex 128.07(BP est) -34.85(MP est) ----(BP exp) ----(MP exp) NCI -34.9PredN
C(C1F)(C1(Br)F)8270156.958C3H3BrF21-bromo-1,2-difluorocyclopropaneN96C(C1F)(C1(Br)F)InChI=1S/C3H3BrF2/c4-3(6)1-2(3)5/h2H,1H2InChIKey=GUUPJVVMAAWVFG-UHFFFAOYSA-N66.3Ex 66.26(BP est) -62.99(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(Br)F) -63PredN
C(C(F)=C(Br)F)8271156.958C3H3BrF21-bromo-1,2-difluoroprop-1-eneN96C(C(F)=C(Br)F)InChI=1S/C3H3BrF2/c1-2(5)3(4)6/h1H3InChIKey=UGUXFMZAAPWYPG-UHFFFAOYSA-N76.5Ex 76.53(BP est) -95.29(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(Br)F) -95.3PredN
C(F)(C=C(Br)F)8272156.958C3H3BrF21-bromo-1,3-difluoroprop-1-eneN96C(F)(C=C(Br)F)InChI=1S/C3H3BrF2/c4-3(6)1-2-5/h1H,2H2InChIKey=DXIUCEGJKCKOKE-UHFFFAOYSA-N83.3Ex 83.29(BP est) -86.34(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(Br)F) -86.3PredN
C(Br)(C1F)(C1F)8273156.958C3H3BrF21-bromo-2,3-difluorocyclopropaneN96C(Br)(C1F)(C1F)InChI=1S/C3H3BrF2/c4-1-2(5)3(1)6/h1-3HInChIKey=QRDIGHOZVSSOIH-UHFFFAOYSA-N72.2Ex 72.24(BP est) -75.32(MP est) ----(BP exp) ----(MP exp) C(Br)(C1F)(C1F) -75.3PredN
C(F)(C(F)=CBr)8274156.958C3H3BrF21-bromo-2,3-difluoroprop-1-eneN96C(F)(C(F)=CBr)InChI=1S/C3H3BrF2/c4-1-3(6)2-5/h1H,2H2InChIKey=AWJYRJUKRJLNCR-UHFFFAOYSA-N83.3Ex 83.29(BP est) -86.34(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)=CBr) -86.3PredN
C(F)(F)(C=CBr)8275156.958C3H3BrF21-bromo-3,3-difluoroprop-1-eneN96C(F)(F)(C=CBr)InChI=1S/C3H3BrF2/c4-2-1-3(5)6/h1-3HInChIKey=KGLQOUUZPFEOCA-UHFFFAOYSA-N75.1Ex 75.11(BP est) -89.25(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C=CBr) -89.3PredN
C(C1Br)(C1(F)F)8276156.958C3H3BrF22-bromo-1,1-difluorocyclopropaneN96C(C1Br)(C1(F)F)InChI=1S/C3H3BrF2/c4-2-1-3(2,5)6/h2H,1H2InChIKey=UOMKSEBQTJOQJN-UHFFFAOYSA-N63.0Ex 66.26(BP est) -62.99(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1(F)F) -63PredN
C(C(Br)=C(F)F)8277156.958C3H3BrF22-bromo-1,1-difluoroprop-1-eneN96C(C(Br)=C(F)F)InChI=1S/C3H3BrF2/c1-2(4)3(5)6/h1H3InChIKey=TWUUNIXCKGTVLS-UHFFFAOYSA-N76.5Ex 76.53(BP est) -95.29(MP est) ----(BP exp) ----(MP exp) C(C(Br)=C(F)F) -95.3PredN
C(F)(C(Br)=CF)8278156.958C3H3BrF22-bromo-1,3-difluoroprop-1-eneN96C(F)(C(Br)=CF)InChI=1S/C3H3BrF2/c4-3(1-5)2-6/h1H,2H2InChIKey=LFLOEOVAWGUHRY-UHFFFAOYSA-N83.3Ex 83.29(BP est) -86.34(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)=CF) -86.3PredN
C(F)(F)(C(Br)=C)8279156.958C3H3BrF22-bromo-3,3-difluoroprop-1-eneN96C(F)(F)(C(Br)=C)InChI=1S/C3H3BrF2/c1-2(4)3(5)6/h3H,1H2InChIKey=VEKMMPMTSPZNIN-UHFFFAOYSA-N58.6Ex 58.56(BP est) -99.40(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C(Br)=C) -99.4PredN
C(Br)(C=C(F)F)8280156.958C3H3BrF23-bromo-1,1-difluoroprop-1-eneN96C(Br)(C=C(F)F)InChI=1S/C3H3BrF2/c4-2-1-3(5)6/h1H,2H2InChIKey=BGRGXBWMPNEZMS-UHFFFAOYSA-N83.3Ex 83.29(BP est) -86.34(MP est) ----(BP exp) ----(MP exp) C(Br)(C=C(F)F) -86.3PredN
C(Br)(C(F)=CF)8281156.958C3H3BrF23-bromo-1,2-difluoroprop-1-eneN96C(Br)(C(F)=CF)InChI=1S/C3H3BrF2/c4-1-3(6)2-5/h2H,1H2InChIKey=AIOOVFPBJQZXGY-UHFFFAOYSA-N83.3Ex 83.29(BP est) -86.34(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)=CF) -86.3PredN
C(Br)(F)(C=CF)8282156.958C3H3BrF23-bromo-1,3-difluoroprop-1-eneN96C(Br)(F)(C=CF)InChI=1S/C3H3BrF2/c4-3(6)1-2-5/h1-3HInChIKey=ZNYLOOQXOPEJEN-UHFFFAOYSA-N75.1Ex 75.11(BP est) -89.25(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C=CF) -89.3PredN
C(Br)(F)(C(F)=C)8283156.958C3H3BrF23-bromo-2,3-difluoroprop-1-eneN96C(Br)(F)(C(F)=C)InChI=1S/C3H3BrF2/c1-2(5)3(4)6/h3H,1H2InChIKey=JZCMIRXGNFNZLZ-UHFFFAOYSA-N58.6Ex 58.56(BP est) -99.40(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C(F)=C) -99.4PredN
C(Br)(F)(F)(C=C)8284156.958C3H3BrF23-bromo-3,3-difluoroprop-1-eneN96C(Br)(F)(F)(C=C)InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2InChIKey=GDDNTTHUKVNJRA-UHFFFAOYSA-N42.0Ex 55.40(BP est) -84.63(MP est) 42.00(BP exp) ----(MP exp) C(Br)(F)(F)(C=C) -84.6PredN
C(Br)(F)OC(C)8285156.982C3H6BrFO(bromofluoromethoxy)ethaneN126C(Br)(F)OC(C)InChI=1S/C3H6BrFO/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=UZZRHECODVTLFI-UHFFFAOYSA-N90.7Ex 90.72(BP est) -71.33(MP est) ----(BP exp) ----(MP exp) C(Br)(F)OC(C) -71.3PredN
C(Br)OC(F)(C)8286156.982C3H6BrFO1-(bromomethoxy)-1-fluoroethaneN126C(Br)OC(F)(C)InChI=1S/C3H6BrFO/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=DIJZTKCBKAYGJN-UHFFFAOYSA-N90.7Ex 90.72(BP est) -71.33(MP est) ----(BP exp) ----(MP exp) C(Br)OC(F)(C) -71.3PredN
C(Br)OC(CF)8287156.982C3H6BrFO1-(bromomethoxy)-2-fluoroethaneN126C(Br)OC(CF)InChI=1S/C3H6BrFO/c4-3-6-2-1-5/h1-3H2InChIKey=YVOAGMHZRCKXJG-UHFFFAOYSA-N105.2Ex 105.24(BP est) -59.59(MP est) ----(BP exp) ----(MP exp) C(Br)OC(CF) -59.6PredN
C(F)OC(Br)(C)8288156.982C3H6BrFO1-bromo-1-(fluoromethoxy)ethaneN126C(F)OC(Br)(C)InChI=1S/C3H6BrFO/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=QDARSKLTGMLEMA-UHFFFAOYSA-N90.7Ex 90.72(BP est) -71.33(MP est) ----(BP exp) ----(MP exp) C(F)OC(Br)(C) -71.3PredN
COC(Br)(F)(C)8289156.982C3H6BrFO1-bromo-1-fluoro-1-methoxyethaneN126COC(Br)(F)(C)InChI=1S/C3H6BrFO/c1-3(4,5)6-2/h1-2H3InChIKey=OUWNTZAGEFNLCK-UHFFFAOYSA-N81.0Ex 80.98(BP est) -65.46(MP est) ----(BP exp) ----(MP exp) COC(Br)(F)(C) -65.5PredN
COC(C(Br)F)8290156.982C3H6BrFO1-bromo-1-fluoro-2-methoxyethaneN126COC(C(Br)F)InChI=1S/C3H6BrFO/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=ALNZFWYSDVNQSF-UHFFFAOYSA-N90.7Ex 90.72(BP est) -71.33(MP est) ----(BP exp) ----(MP exp) COC(C(Br)F) -71.3PredN
OC(Br)(F)(CC)8291156.982C3H6BrFO1-bromo-1-fluoropropan-1-olN126OC(Br)(F)(CC)InChI=1S/C3H6BrFO/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=UIRCFIKJTSKUQM-UHFFFAOYSA-N126.7Ex 126.70(BP est) -32.82(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(CC) -32.8PredN
OC(C)(C(Br)F)8292156.982C3H6BrFO1-bromo-1-fluoropropan-2-olN126OC(C)(C(Br)F)InChI=1S/C3H6BrFO/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=AMQKCBUMZZMXRH-UHFFFAOYSA-N132.7Ex 132.67(BP est) -47.29(MP est) ----(BP exp) ----(MP exp) OC(C)(C(Br)F) -47.3PredN
C(F)OC(CBr)8293156.982C3H6BrFO1-bromo-2-(fluoromethoxy)ethaneN126C(F)OC(CBr)InChI=1S/C3H6BrFO/c4-1-2-6-3-5/h1-3H2InChIKey=PTFQVIPKHBNHOI-UHFFFAOYSA-N105.2Ex 105.24(BP est) -59.59(MP est) ----(BP exp) ----(MP exp) C(F)OC(CBr) -59.6PredN
COC(Br)(CF)8294156.982C3H6BrFO1-bromo-2-fluoro-1-methoxyethaneN126COC(Br)(CF)InChI=1S/C3H6BrFO/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=NHISBVNEAACPCQ-UHFFFAOYSA-N90.7Ex 90.72(BP est) -71.33(MP est) ----(BP exp) ----(MP exp) COC(Br)(CF) -71.3PredN
OC(Br)(C(F)C)8295156.982C3H6BrFO1-bromo-2-fluoropropan-1-olN126OC(Br)(C(F)C)InChI=1S/C3H6BrFO/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=RRXVDTGQCNRKAE-UHFFFAOYSA-N132.7Ex 132.67(BP est) -47.29(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(F)C) -47.3PredN
OC(F)(C)(CBr)8296156.982C3H6BrFO1-bromo-2-fluoropropan-2-olN126OC(F)(C)(CBr)InChI=1S/C3H6BrFO/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=OXZUTQUCEMPSCC-UHFFFAOYSA-N126.7Ex 126.70(BP est) -32.82(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(CBr) -32.8PredN
OC(Br)(CCF)8297156.982C3H6BrFO1-bromo-3-fluoropropan-1-olN126OC(Br)(CCF)InChI=1S/C3H6BrFO/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=PBVKXHUBJNXGPZ-UHFFFAOYSA-N146.2Ex 146.22(BP est) -35.83(MP est) ----(BP exp) ----(MP exp) OC(Br)(CCF) -35.8PredN
OC(CBr)(CF)8298156.982C3H6BrFO1-bromo-3-fluoropropan-2-olN126OC(CBr)(CF)InChI=1S/C3H6BrFO/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=VOUMDHWNLNQWDT-UHFFFAOYSA-N146.2Ex 146.22(BP est) -35.83(MP est) ----(BP exp) ----(MP exp) OC(CBr)(CF) -35.8PredN
COC(F)(CBr)8299156.982C3H6BrFO2-bromo-1-fluoro-1-methoxyethaneN126COC(F)(CBr)InChI=1S/C3H6BrFO/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=OMHGDZKUFPJQSG-UHFFFAOYSA-N90.7Ex 90.72(BP est) -71.33(MP est) ----(BP exp) ----(MP exp) COC(F)(CBr) -71.3PredN
OC(F)(C(Br)C)8300156.982C3H6BrFO2-bromo-1-fluoropropan-1-olN126OC(F)(C(Br)C)InChI=1S/C3H6BrFO/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=JPZRURQVXHWIKA-UHFFFAOYSA-N132.7Ex 132.67(BP est) -47.29(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Br)C) -47.3PredN
OC(Br)(C)(CF)8301156.982C3H6BrFO2-bromo-1-fluoropropan-2-olN126OC(Br)(C)(CF)InChI=1S/C3H6BrFO/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=WFJFJLCYPASSIG-UHFFFAOYSA-N126.7Ex 126.70(BP est) -32.82(MP est) ----(BP exp) ----(MP exp) OC(Br)(C)(CF) -32.8PredN
OC(C(Br)(F)C)8302156.982C3H6BrFO2-bromo-2-fluoropropan-1-olN126OC(C(Br)(F)C)InChI=1S/C3H6BrFO/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=HUJBWJKYKOAZFZ-UHFFFAOYSA-N144.6Ex 144.60(BP est) -27.60(MP est) ----(BP exp) ----(MP exp) OC(C(Br)(F)C) -27.6PredN
OC(C(Br)CF)8303156.982C3H6BrFO2-bromo-3-fluoropropan-1-olN126OC(C(Br)CF)InChI=1S/C3H6BrFO/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=LWHVCMOBRPBXQV-UHFFFAOYSA-N153.4Ex 153.36(BP est) -33.75(MP est) ----(BP exp) ----(MP exp) OC(C(Br)CF) -33.8PredN
OC(F)(CCBr)8304156.982C3H6BrFO3-bromo-1-fluoropropan-1-olN126OC(F)(CCBr)InChI=1S/C3H6BrFO/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=FHPHOELNGHCNHG-UHFFFAOYSA-N146.2Ex 146.22(BP est) -35.83(MP est) ----(BP exp) ----(MP exp) OC(F)(CCBr) -35.8PredN
OC(C(F)CBr)8305156.982C3H6BrFO3-bromo-2-fluoropropan-1-olN126OC(C(F)CBr)InChI=1S/C3H6BrFO/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=HJPIXHRDTUXVJH-UHFFFAOYSA-N153.4Ex 153.36(BP est) -33.75(MP est) ----(BP exp) ----(MP exp) OC(C(F)CBr) -33.8PredN
OC(CC(Br)F)8306156.982C3H6BrFO3-bromo-3-fluoropropan-1-olN126OC(CC(Br)F)InChI=1S/C3H6BrFO/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=QVNWJVNCAKOVFZ-UHFFFAOYSA-N153.4Ex 153.36(BP est) -33.75(MP est) ----(BP exp) ----(MP exp) OC(CC(Br)F) -33.8PredN
NNC(Br)(F)(C)8307156.986C2H6BrFN2(1-bromo-1-fluoroethyl)hydrazineN126NNC(Br)(F)(C)InChI=1S/C2H6BrFN2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=MTYHRXFPFRVCHN-UHFFFAOYSA-N139.6Ex 139.59(BP est) 2.86(MP est) ----(BP exp) ----(MP exp) NNC(Br)(F)(C) 2.9PredN
NNC(Br)(CF)8308156.986C2H6BrFN2(1-bromo-2-fluoroethyl)hydrazineN126NNC(Br)(CF)InChI=1S/C2H6BrFN2/c3-2(1-4)6-5/h2,6H,1,5H2InChIKey=XCVDTUIJXSBUKL-UHFFFAOYSA-N148.4Ex 148.43(BP est) -3.27(MP est) ----(BP exp) ----(MP exp) NNC(Br)(CF) -3.3PredN
NNC(F)(CBr)8309156.986C2H6BrFN2(2-bromo-1-fluoroethyl)hydrazineN126NNC(F)(CBr)InChI=1S/C2H6BrFN2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=MYCQSWZMXWICNL-UHFFFAOYSA-N148.4Ex 148.43(BP est) -3.27(MP est) ----(BP exp) ----(MP exp) NNC(F)(CBr) -3.3PredN
NNC(C(Br)F)8310156.986C2H6BrFN2(2-bromo-2-fluoroethyl)hydrazineN126NNC(C(Br)F)InChI=1S/C2H6BrFN2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=RWQAIUFSMAJHGN-UHFFFAOYSA-N148.4Ex 148.43(BP est) -3.27(MP est) ----(BP exp) ----(MP exp) NNC(C(Br)F) -3.3PredN
CN(C(Br)(F))N8311156.986C2H6BrFN21-(bromofluoromethyl)-1-methylhydrazineN126CN(C(Br)(F))NInChI=1S/C2H6BrFN2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=GWQZAWUQGZELDP-UHFFFAOYSA-N128.2Ex 128.20(BP est) -19.27(MP est) ----(BP exp) ----(MP exp) CN(C(Br)(F))N -19.3PredN
CNNC(Br)(F)8312156.986C2H6BrFN21-(bromofluoromethyl)-2-methylhydrazineN126CNNC(Br)(F)InChI=1S/C2H6BrFN2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=SLKNSDDPBUXQSB-UHFFFAOYSA-N130.9Ex 130.85(BP est) -23.70(MP est) ----(BP exp) ----(MP exp) CNNC(Br)(F) -23.7PredN
C(Br)N(C(F))N8313156.986C2H6BrFN21-(bromomethyl)-1-(fluoromethyl)hydrazineN126C(Br)N(C(F))NInChI=1S/C2H6BrFN2/c3-1-6(5)2-4/h1-2,5H2InChIKey=ZULCCTRAHQMDQY-UHFFFAOYSA-N141.9Ex 141.87(BP est) -7.78(MP est) ----(BP exp) ----(MP exp) C(Br)N(C(F))N -7.8PredN
C(Br)NNC(F)8314156.986C2H6BrFN21-(bromomethyl)-2-(fluoromethyl)hydrazineN126C(Br)NNC(F)InChI=1S/C2H6BrFN2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=PMAIYKICNTVARW-UHFFFAOYSA-N144.5Ex 144.45(BP est) -12.23(MP est) ----(BP exp) ----(MP exp) C(Br)NNC(F) -12.2PredN
BrC1(F)CS18316157C2H2BrFS2-bromo-2-fluorothiiraneN75BrC1(F)CS1InChI=1S/C2H2BrFS/c3-2(4)1-5-2/h1H2InChIKey=LBBJOIKNBIFXOW-UHFFFAOYSA-N113.8Ex 113.78(BP est) -14.20(MP est) ----(BP exp) ----(MP exp) BrC1(F)CS1 -14.2PredN
BrC1C(F)S18317157C2H2BrFS2-bromo-3-fluorothiiraneN75BrC1C(F)S1InChI=1S/C2H2BrFS/c3-1-2(4)5-1/h1-2HInChIKey=NHIYIXNBFKNDPV-UHFFFAOYSA-N119.4Ex 119.35(BP est) -26.65(MP est) ----(BP exp) ----(MP exp) BrC1C(F)S1 -26.7PredN
O=CC(Cl)Br8321157.391C2H2BrClO2-bromo-2-chloroacetaldehydeN75O=CC(Cl)BrInChI=1S/C2H2BrClO/c3-2(4)1-5/h1-2HInChIKey=HGDYZULTRRRRFK-UHFFFAOYSA-N149.5Ex 149.51(BP est) -35.25(MP est) ----(BP exp) ----(MP exp) O=CC(Cl)Br -35.3PredY(Vanelslander et al. 2012)
BrC1(Cl)CO18322157.391C2H2BrClO2-bromo-2-chlorooxiraneN75BrC1(Cl)CO1InChI=1S/C2H2BrClO/c3-2(4)1-5-2/h1H2InChIKey=KFPYSNLHLIGDLA-UHFFFAOYSA-N113.9Ex 113.86(BP est) -24.95(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CO1 -25PredN
ClC1C(Br)O18323157.391C2H2BrClO2-bromo-3-chlorooxiraneN75ClC1C(Br)O1InChI=1S/C2H2BrClO/c3-1-2(4)5-1/h1-2HInChIKey=XQRZSAVGWMZGKV-UHFFFAOYSA-N132.0Ex 131.96(BP est) -33.74(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)O1 -33.7PredN
CCC(Cl)Br8324157.435C3H6BrCl1-bromo-1-chloropropaneN115CCC(Cl)BrInChI=1S/C3H6BrCl/c1-2-3(4)5/h3H,2H2,1H3InChIKey=HYOAGWAIGJXNQH-UHFFFAOYSA-N114.5Ex 114.54(BP est) -60.83(MP est) ----(BP exp) ----(MP exp) CCC(Cl)Br -60.8PredN
CC(CBr)Cl8325157.435C3H6BrCl1-bromo-2-chloropropaneN115CC(CBr)ClInChI=1S/C3H6BrCl/c1-3(5)2-4/h3H,2H2,1H3InChIKey=YMHXXJJTAGKFBA-UHFFFAOYSA-N118.0Ex 114.54(BP est) -60.83(MP est) 118.00(BP exp) ----(MP exp) CC(CBr)Cl -60.8PredN
ClCCCBr8326157.435C3H6BrCl1-bromo-3-chloropropaneN115ClCCCBrInChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2InChIKey=MFESCIUQSIBMSM-UHFFFAOYSA-N143.4Ex 140.90(BP est) -45.63(MP est) 143.30(BP exp) -58.90(MP exp) ClCCCBr -58.9ExptN
CC(CCl)Br8327157.435C3H6BrCl2-bromo-1-chloropropaneN115CC(CCl)BrInChI=1S/C3H6BrCl/c1-3(4)2-5/h3H,2H2,1H3InChIKey=PUJJZGFFAQHYEX-UHFFFAOYSA-N117.8Ex 127.22(BP est) -57.13(MP est) 118.00(BP exp) ----(MP exp) CC(CCl)Br -57.1PredN
CC(Cl)(C)Br8328157.435C3H6BrCl2-bromo-2-chloropropaneN115CC(Cl)(C)BrInChI=1S/C3H6BrCl/c1-3(2,4)5/h1-2H3InChIKey=YSQXISYCKHFJFJ-UHFFFAOYSA-N95.0Ex 92.06(BP est) -58.68(MP est) 95.00(BP exp) ----(MP exp) CC(Cl)(C)Br -58.7PredN
OCI8331157.938CH3IOiodomethanolN63OCIInChI=1S/CH3IO/c2-1-3/h3H,1H2InChIKey=ADDQUOLYROTOKS-UHFFFAOYSA-N152.6Ex 152.62(BP est) -38.90(MP est) ----(BP exp) ----(MP exp) OCI -38.9PredN
FC1C(Br)(F)N18332157.946C2H2BrF2N2-bromo-2,3-difluoroaziridineN86FC1C(Br)(F)N1InChI=1S/C2H2BrF2N/c3-2(5)1(4)6-2/h1,6HInChIKey=CUCOEODQVUDGBF-UHFFFAOYSA-N105.8Ex 105.82(BP est) -4.56(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(F)N1 -4.6PredN
BrC1C(F)(F)N18333157.946C2H2BrF2N3-bromo-2,2-difluoroaziridineN86BrC1C(F)(F)N1InChI=1S/C2H2BrF2N/c3-1-2(4,5)6-1/h1,6HInChIKey=WLSCJIKEUZDZBO-UHFFFAOYSA-N105.8Ex 105.82(BP est) -4.56(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(F)N1 -4.6PredN
NCOC(Br)(F)8334157.97C2H5BrFNO(bromofluoromethoxy)methanamineN116NCOC(Br)(F)InChI=1S/C2H5BrFNO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=VAOUEHVMQJWING-UHFFFAOYSA-N129.7Ex 129.73(BP est) -23.94(MP est) ----(BP exp) ----(MP exp) NCOC(Br)(F) -23.9PredN
NC(F)OC(Br)8335157.97C2H5BrFNO(bromomethoxy)fluoromethanamineN116NC(F)OC(Br)InChI=1S/C2H5BrFNO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=FNRRCVFFFCBBDQ-UHFFFAOYSA-N129.7Ex 129.73(BP est) -23.94(MP est) ----(BP exp) ----(MP exp) NC(F)OC(Br) -23.9PredN
NCC(O)(Br)(F)8336157.97C2H5BrFNO2-amino-1-bromo-1-fluoroethan-1-olN116NCC(O)(Br)(F)InChI=1S/C2H5BrFNO/c3-2(4,6)1-5/h6H,1,5H2InChIKey=PTLHRSFVSIXYOF-UHFFFAOYSA-N163.5Ex 163.46(BP est) 13.90(MP est) ----(BP exp) ----(MP exp) NCC(O)(Br)(F) 13.9PredN
NC(F)C(O)(Br)8337157.97C2H5BrFNO2-amino-1-bromo-2-fluoroethan-1-olN116NC(F)C(O)(Br)InChI=1S/C2H5BrFNO/c3-1(6)2(4)5/h1-2,6H,5H2InChIKey=ZRJWLZJDCMDEAG-UHFFFAOYSA-N169.0Ex 169.03(BP est) -0.68(MP est) ----(BP exp) ----(MP exp) NC(F)C(O)(Br) -0.7PredN
NC(Br)C(O)(F)8338157.97C2H5BrFNO2-amino-2-bromo-1-fluoroethan-1-olN116NC(Br)C(O)(F)InChI=1S/C2H5BrFNO/c3-1(5)2(4)6/h1-2,6H,5H2InChIKey=AGPGJKJAHNXZIT-UHFFFAOYSA-N169.0Ex 169.03(BP est) -0.68(MP est) ----(BP exp) ----(MP exp) NC(Br)C(O)(F) -0.7PredN
NC(Br)(F)C(O)8339157.97C2H5BrFNO2-amino-2-bromo-2-fluoroethan-1-olN116NC(Br)(F)C(O)InChI=1S/C2H5BrFNO/c3-2(4,5)1-6/h6H,1,5H2InChIKey=SPQHLDJHAGXLHL-UHFFFAOYSA-N180.2Ex 180.17(BP est) 18.78(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)C(O) 18.8PredN
NC(Br)OC(F)8340157.97C2H5BrFNObromo(fluoromethoxy)methanamineN116NC(Br)OC(F)InChI=1S/C2H5BrFNO/c3-2(5)6-1-4/h2H,1,5H2InChIKey=SYLGWXVAAJHCKL-UHFFFAOYSA-N129.7Ex 129.73(BP est) -23.94(MP est) ----(BP exp) ----(MP exp) NC(Br)OC(F) -23.9PredN
NC(Br)(F)OC8341157.97C2H5BrFNObromofluoro(methoxy)methanamineN116NC(Br)(F)OCInChI=1S/C2H5BrFNO/c1-6-2(3,4)5/h5H2,1H3InChIKey=YUEYSPHWJNRDDK-UHFFFAOYSA-N120.6Ex 120.59(BP est) -17.90(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)OC -17.9PredN
BrC(F)(C)NO8342157.97C2H5BrFNON-(1-bromo-1-fluoroethyl)hydroxylamineN116BrC(F)(C)NOInChI=1S/C2H5BrFNO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=ICCRKKWTBVOKQZ-UHFFFAOYSA-N179.2Ex 179.20(BP est) 3.20(MP est) ----(BP exp) ----(MP exp) BrC(F)(C)NO 3.2PredN
BrC(F)N(O)C8343157.97C2H5BrFNON-(bromofluoromethyl)-N-methylhydroxylamineN116BrC(F)N(O)CInChI=1S/C2H5BrFNO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=BKYUBMSUOPRESR-UHFFFAOYSA-N233.3Ex 233.34(BP est) 23.28(MP est) ----(BP exp) ----(MP exp) BrC(F)N(O)C 23.3PredN
BrC(F)NOC8344157.97C2H5BrFNON-(bromofluoromethyl)-O-methylhydroxylamineN116BrC(F)NOCInChI=1S/C2H5BrFNO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=NADJCQVILJQYFW-UHFFFAOYSA-N111.6Ex 111.57(BP est) -44.55(MP est) ----(BP exp) ----(MP exp) BrC(F)NOC -44.6PredN
BrCNOCF8345157.97C2H5BrFNON-(bromomethyl)-O-(fluoromethyl)hydroxylamineN116BrCNOCFInChI=1S/C2H5BrFNO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=BUWVOXPSUZWDIE-UHFFFAOYSA-N125.6Ex 125.62(BP est) -32.95(MP est) ----(BP exp) ----(MP exp) BrCNOCF -33PredN
NOC(F)(C)Br8346157.97C2H5BrFNOO-(1-bromo-1-fluoroethyl)hydroxylamineN116NOC(F)(C)BrInChI=1S/C2H5BrFNO/c1-2(3,4)6-5/h5H2,1H3InChIKey=XEEZBKBWRYRVCY-UHFFFAOYSA-N120.6Ex 120.59(BP est) -17.90(MP est) ----(BP exp) ----(MP exp) NOC(F)(C)Br -17.9PredN
NOC(CF)Br8347157.97C2H5BrFNOO-(1-bromo-2-fluoroethyl)hydroxylamineN116NOC(CF)BrInChI=1S/C2H5BrFNO/c3-2(1-4)6-5/h2H,1,5H2InChIKey=FBBLNGCWUIOYBM-UHFFFAOYSA-N129.7Ex 129.73(BP est) -23.94(MP est) ----(BP exp) ----(MP exp) NOC(CF)Br -23.9PredN
NOC(CBr)F8348157.97C2H5BrFNOO-(2-bromo-1-fluoroethyl)hydroxylamineN116NOC(CBr)FInChI=1S/C2H5BrFNO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=JRHWMHIWYHBOJZ-UHFFFAOYSA-N129.7Ex 129.73(BP est) -23.94(MP est) ----(BP exp) ----(MP exp) NOC(CBr)F -23.9PredN
NOCC(F)Br8349157.97C2H5BrFNOO-(2-bromo-2-fluoroethyl)hydroxylamineN116NOCC(F)BrInChI=1S/C2H5BrFNO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=FYEGROSIGPVOOQ-UHFFFAOYSA-N129.7Ex 129.73(BP est) -23.94(MP est) ----(BP exp) ----(MP exp) NOCC(F)Br -23.9PredN
CNOC(F)Br8350157.97C2H5BrFNOO-(bromofluoromethyl)-N-methylhydroxylamineN116CNOC(F)BrInChI=1S/C2H5BrFNO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=TZVMCPOFNHJSFS-UHFFFAOYSA-N111.6Ex 111.57(BP est) -44.55(MP est) ----(BP exp) ----(MP exp) CNOC(F)Br -44.6PredN
FCNOCBr8351157.97C2H5BrFNOO-(bromomethyl)-N-(fluoromethyl)hydroxylamineN116FCNOCBrInChI=1S/C2H5BrFNO/c3-1-6-5-2-4/h5H,1-2H2InChIKey=WBPJZVJWJZZYNC-UHFFFAOYSA-N125.6Ex 125.62(BP est) -32.95(MP est) ----(BP exp) ----(MP exp) FCNOCBr -33PredN
CSSSSC8355158.31C2H6S41,4-dimethyltetrasulfaneN126CSSSSCInChI=1S/C2H6S4/c1-3-5-6-4-2/h1-2H3InChIKey=NPNIZCVKXVRCHF-UHFFFAOYSA-N233.5Ex 233.52(BP est) -0.28(MP est) ----(BP exp) ----(MP exp) CSSSSC -0.3PredY(Schulz and Dickschat 2007, Irwin et al. 2012, DNP 2017)
NC(Cl)(C)Br8357158.423C2H5BrClN1-bromo-1-chloroethan-1-amineN105NC(Cl)(C)BrInChI=1S/C2H5BrClN/c1-2(3,4)5/h5H2,1H3InChIKey=FVKUBYWVTBYMMK-UHFFFAOYSA-N131.0Ex 131.00(BP est) -11.32(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C)Br -11.3PredN
CNC(Cl)Br8358158.423C2H5BrClN1-bromo-1-chloro-N-methylmethanamineN105CNC(Cl)BrInChI=1S/C2H5BrClN/c1-5-2(3)4/h2,5H,1H3InChIKey=VGGCNVREFXSMFK-UHFFFAOYSA-N134.6Ex 134.61(BP est) -34.27(MP est) ----(BP exp) ----(MP exp) CNC(Cl)Br -34.3PredN
NC(Br)(CCl)8359158.423C2H5BrClN1-bromo-2-chloroethan-1-amineN105NC(Br)(CCl)InChI=1S/C2H5BrClN/c3-2(5)1-4/h2H,1,5H2InChIKey=MCNOLUQDVQYHNA-UHFFFAOYSA-N163.9Ex 163.93(BP est) -10.41(MP est) ----(BP exp) ----(MP exp) NC(Br)(CCl) -10.4PredN
C(Cl)NC(Br)8360158.423C2H5BrClN1-bromo-N-(chloromethyl)methanamineN105C(Cl)NC(Br)InChI=1S/C2H5BrClN/c3-1-5-2-4/h5H,1-2H2InChIKey=IGQYWSPXGGXKNP-UHFFFAOYSA-N160.1Ex 160.07(BP est) -19.34(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Br) -19.3PredN
NC(CBr)Cl8361158.423C2H5BrClN2-bromo-1-chloroethan-1-amineN105NC(CBr)ClInChI=1S/C2H5BrClN/c3-1-2(4)5/h2H,1,5H2InChIKey=GIQJVXBHQIQSTL-UHFFFAOYSA-N152.1Ex 152.07(BP est) -13.87(MP est) ----(BP exp) ----(MP exp) NC(CBr)Cl -13.9PredN
NCC(Cl)Br8362158.423C2H5BrClN2-bromo-2-chloroethan-1-amineN105NCC(Cl)BrInChI=1S/C2H5BrClN/c3-2(4)1-5/h2H,1,5H2InChIKey=PJQWGGHFAOZQKL-UHFFFAOYSA-N152.1Ex 152.07(BP est) -13.87(MP est) ----(BP exp) ----(MP exp) NCC(Cl)Br -13.9PredN
O=PC(Br)F8363158.894CHBrFOP(bromofluoromethyl)(oxo)phosphaneN65O=PC(Br)FInChI=1S/CHBrFOP/c2-1(3)5-4/h1HInChIKey=CHNHHXXZRFBDBK-UHFFFAOYSA-N125.8Ex 125.82(BP est) -50.28(MP est) ----(BP exp) ----(MP exp) O=PC(Br)F -50.3PredN
O=P(CBr)O8364158.919CH4BrO2P(bromomethyl)phosphinic acidN95O=P(CBr)OInChI=1S/CH4BrO2P/c2-1-5(3)4/h5H,1H2,(H,3,4)InChIKey=LLICJCPDMIGECP-UHFFFAOYSA-N227.7Ex 227.70(BP est) 8.89(MP est) ----(BP exp) ----(MP exp) O=P(CBr)O 8.9PredN
C(=O)C(Br)(F)(F)8366158.93C2HBrF2O2-bromo-2,2-difluoroacetaldehydeN76C(=O)C(Br)(F)(F)InChI=1S/C2HBrF2O/c3-2(4,5)1-6/h1HInChIKey=KXVVULJBVQNMGZ-UHFFFAOYSA-N95.5Ex 95.52(BP est) -56.67(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(F)(F) -56.7PredN
FC1C(Br)(F)O18367158.93C2HBrF2O2-bromo-2,3-difluorooxiraneN76FC1C(Br)(F)O1InChI=1S/C2HBrF2O/c3-2(5)1(4)6-2/h1HInChIKey=FJSOTLBJUBEHDB-UHFFFAOYSA-N73.0Ex 73.04(BP est) -53.36(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(F)O1 -53.4PredN
BrC1C(F)(F)O18368158.93C2HBrF2O3-bromo-2,2-difluorooxiraneN76BrC1C(F)(F)O1InChI=1S/C2HBrF2O/c3-1-2(4,5)6-1/h1HInChIKey=RBSXQJJTZRBJFL-UHFFFAOYSA-N73.0Ex 73.04(BP est) -53.36(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(F)O1 -53.4PredN
PC(C)(Br)F8369158.938C2H5BrFP(1-bromo-1-fluoroethyl)phosphaneN105PC(C)(Br)FInChI=1S/C2H5BrFP/c1-2(3,4)5/h5H2,1H3InChIKey=RVOFGFFOFPNKMI-UHFFFAOYSA-N93.1Ex 93.10(BP est) -62.99(MP est) ----(BP exp) ----(MP exp) PC(C)(Br)F -63PredN
PC(Br)CF8370158.938C2H5BrFP(1-bromo-2-fluoroethyl)phosphaneN105PC(Br)CFInChI=1S/C2H5BrFP/c3-2(5)1-4/h2H,1,5H2InChIKey=PGAADWKMSUSLOO-UHFFFAOYSA-N102.7Ex 102.65(BP est) -68.91(MP est) ----(BP exp) ----(MP exp) PC(Br)CF -68.9PredN
PC(F)CBr8371158.938C2H5BrFP(2-bromo-1-fluoroethyl)phosphaneN105PC(F)CBrInChI=1S/C2H5BrFP/c3-1-2(4)5/h2H,1,5H2InChIKey=MMNARGBRQWEKMV-UHFFFAOYSA-N102.7Ex 102.65(BP est) -68.91(MP est) ----(BP exp) ----(MP exp) PC(F)CBr -68.9PredN
PCC(Br)F8372158.938C2H5BrFP(2-bromo-2-fluoroethyl)phosphaneN105PCC(Br)FInChI=1S/C2H5BrFP/c3-2(4)1-5/h2H,1,5H2InChIKey=UBZDHULRYDNPLV-UHFFFAOYSA-N102.7Ex 102.65(BP est) -68.91(MP est) ----(BP exp) ----(MP exp) PCC(Br)F -68.9PredN
CPC(Br)F8373158.938C2H5BrFP(bromofluoromethyl)(methyl)phosphaneN105CPC(Br)FInChI=1S/C2H5BrFP/c1-5-2(3)4/h2,5H,1H3InChIKey=CVHQPUFMIVHNIG-UHFFFAOYSA-N81.8Ex 81.76(BP est) -83.20(MP est) ----(BP exp) ----(MP exp) CPC(Br)F -83.2PredN
BrCPCF8374158.938C2H5BrFP(bromomethyl)(fluoromethyl)phosphaneN105BrCPCFInChI=1S/C2H5BrFP/c3-1-5-2-4/h5H,1-2H2InChIKey=WKLUHXQMUHMTGU-UHFFFAOYSA-N96.5Ex 96.49(BP est) -71.40(MP est) ----(BP exp) ----(MP exp) BrCPCF -71.4PredN
OCOC(Br)(F)8375158.954C2H4BrFO2(bromofluoromethoxy)methanolN106OCOC(Br)(F)InChI=1S/C2H4BrFO2/c3-2(4)6-1-5/h2,5H,1H2InChIKey=PDKVAMKGSORXDK-UHFFFAOYSA-N154.2Ex 154.21(BP est) -28.02(MP est) ----(BP exp) ----(MP exp) OCOC(Br)(F) -28PredN
OC(F)OC(Br)8376158.954C2H4BrFO2(bromomethoxy)fluoromethanolN106OC(F)OC(Br)InChI=1S/C2H4BrFO2/c3-1-6-2(4)5/h2,5H,1H2InChIKey=CTFBUPICSKXCKZ-UHFFFAOYSA-N147.1Ex 147.09(BP est) -30.10(MP est) ----(BP exp) ----(MP exp) OC(F)OC(Br) -30.1PredN
OC(Br)OC(F)8377158.954C2H4BrFO2bromo(fluoromethoxy)methanolN106OC(Br)OC(F)InChI=1S/C2H4BrFO2/c3-2(5)6-1-4/h2,5H,1H2InChIKey=SSVAMAHQDLMBFG-UHFFFAOYSA-N147.1Ex 147.09(BP est) -30.10(MP est) ----(BP exp) ----(MP exp) OC(Br)OC(F) -30.1PredN
OC(Br)(F)OC8378158.954C2H4BrFO2bromofluoro(methoxy)methanolN106OC(Br)(F)OCInChI=1S/C2H4BrFO2/c1-6-2(3,4)5/h5H,1H3InChIKey=XCHPLFCIFLRYKU-UHFFFAOYSA-N127.6Ex 127.60(BP est) -27.08(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)OC -27.1PredN
C(CC(Br)(F)F)8379158.974C3H5BrF21-bromo-1,1-difluoropropaneN116C(CC(Br)(F)F)InChI=1S/C3H5BrF2/c1-2-3(4,5)6/h2H2,1H3InChIKey=ZNRFPPAXFPJZRQ-UHFFFAOYSA-N57.3Ex 57.31(BP est) -83.19(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(F)F) -83.2PredN
C(C(F)C(Br)F)8380158.974C3H5BrF21-bromo-1,2-difluoropropaneN116C(C(F)C(Br)F)InChI=1S/C3H5BrF2/c1-2(5)3(4)6/h2-3H,1H3InChIKey=WVMISLRETBTWGS-UHFFFAOYSA-N52.0Ex 52.01(BP est) -100.95(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Br)F) -101PredN
C(F)(CC(Br)F)8381158.974C3H5BrF21-bromo-1,3-difluoropropaneN116C(F)(CC(Br)F)InChI=1S/C3H5BrF2/c4-3(6)1-2-5/h3H,1-2H2InChIKey=AJJXLYWTRFWKLI-UHFFFAOYSA-N67.4Ex 67.38(BP est) -88.96(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Br)F) -89PredN
C(C(F)(F)CBr)8382158.974C3H5BrF21-bromo-2,2-difluoropropaneN116C(C(F)(F)CBr)InChI=1S/C3H5BrF2/c1-3(5,6)2-4/h2H2,1H3InChIKey=WSECXBNDYYTSGU-UHFFFAOYSA-N76.3Ex 57.31(BP est) -83.19(MP est) ----(BP exp) ----(MP exp) C(C(F)(F)CBr) -83.2PredN
C(Br)(C(F)CF)8383158.974C3H5BrF21-bromo-2,3-difluoropropaneN116C(Br)(C(F)CF)InChI=1S/C3H5BrF2/c4-1-3(6)2-5/h3H,1-2H2InChIKey=XBXXPNJZOICYQN-UHFFFAOYSA-N67.4Ex 67.38(BP est) -88.96(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)CF) -89PredN
C(C(Br)C(F)F)8384158.974C3H5BrF22-bromo-1,1-difluoropropaneN116C(C(Br)C(F)F)InChI=1S/C3H5BrF2/c1-2(4)3(5)6/h2-3H,1H3InChIKey=HKJRKCRFBHLUGR-UHFFFAOYSA-N52.0Ex 52.01(BP est) -100.95(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(F)F) -101PredN
C(C(Br)(F)CF)8385158.974C3H5BrF22-bromo-1,2-difluoropropaneN116C(C(Br)(F)CF)InChI=1S/C3H5BrF2/c1-3(4,6)2-5/h2H2,1H3InChIKey=MOLNQBFBPQFMOV-UHFFFAOYSA-N57.3Ex 57.31(BP est) -83.19(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)CF) -83.2PredN
C(F)(C(Br)CF)8386158.974C3H5BrF22-bromo-1,3-difluoropropaneN116C(F)(C(Br)CF)InChI=1S/C3H5BrF2/c4-3(1-5)2-6/h3H,1-2H2InChIKey=NORSLARWAVWYHO-UHFFFAOYSA-N67.4Ex 67.38(BP est) -88.96(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)CF) -89PredN
C(Br)(CC(F)F)8387158.974C3H5BrF23-bromo-1,1-difluoropropaneN116C(Br)(CC(F)F)InChI=1S/C3H5BrF2/c4-2-1-3(5)6/h3H,1-2H2InChIKey=MDVUGRARGLQINO-UHFFFAOYSA-N67.4Ex 67.38(BP est) -88.96(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(F)F) -89PredN
CSC(Br)(F)8389159.016C2H4BrFS(bromofluoromethyl)(methyl)sulfaneN95CSC(Br)(F)InChI=1S/C2H4BrFS/c1-5-2(3)4/h2H,1H3InChIKey=MQJSPWUQOOYNQR-UHFFFAOYSA-N110.6Ex 110.57(BP est) -65.08(MP est) ----(BP exp) ----(MP exp) CSC(Br)(F) -65.1PredN
C(Br)SC(F)8390159.016C2H4BrFS(bromomethyl)(fluoromethyl)sulfaneN95C(Br)SC(F)InChI=1S/C2H4BrFS/c3-1-5-2-4/h1-2H2InChIKey=UKCFWXRBWJEGEN-UHFFFAOYSA-N124.7Ex 124.65(BP est) -53.47(MP est) ----(BP exp) ----(MP exp) C(Br)SC(F) -53.5PredN
SC(Br)(F)(C)8391159.016C2H4BrFS1-bromo-1-fluoroethane-1-thiolN95SC(Br)(F)(C)InChI=1S/C2H4BrFS/c1-2(3,4)5/h5H,1H3InChIKey=OSDSVNYOAOAJRR-UHFFFAOYSA-N115.4Ex 115.36(BP est) -53.95(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(C) -54PredN
SC(Br)(CF)8392159.016C2H4BrFS1-bromo-2-fluoroethane-1-thiolN95SC(Br)(CF)InChI=1S/C2H4BrFS/c3-2(5)1-4/h2,5H,1H2InChIKey=PVVUOGAFSTUUDO-UHFFFAOYSA-N124.6Ex 124.58(BP est) -59.96(MP est) ----(BP exp) ----(MP exp) SC(Br)(CF) -60PredN
SC(F)(CBr)8393159.016C2H4BrFS2-bromo-1-fluoroethane-1-thiolN95SC(F)(CBr)InChI=1S/C2H4BrFS/c3-1-2(4)5/h2,5H,1H2InChIKey=AYVKCSFZFRVLAP-UHFFFAOYSA-N124.6Ex 124.58(BP est) -59.96(MP est) ----(BP exp) ----(MP exp) SC(F)(CBr) -60PredN
SC(C(Br)F)8394159.016C2H4BrFS2-bromo-2-fluoroethane-1-thiolN95SC(C(Br)F)InChI=1S/C2H4BrFS/c3-2(4)1-5/h2,5H,1H2InChIKey=BETIDLCPZWYMLK-UHFFFAOYSA-N124.6Ex 124.58(BP est) -59.96(MP est) ----(BP exp) ----(MP exp) SC(C(Br)F) -60PredN
C(F)=C(Br)(Cl)8395159.382C2HBrClF1-bromo-1-chloro-2-fluoroetheneN65C(F)=C(Br)(Cl)InChI=1S/C2HBrClF/c3-2(4)1-5/h1HInChIKey=CGBNRSVKYLTCSO-UHFFFAOYSA-N93.1Ex 93.12(BP est) -74.44(MP est) ----(BP exp) ----(MP exp) C(F)=C(Br)(Cl) -74.4PredN
C(Cl)=C(Br)(F)8396159.382C2HBrClF1-bromo-2-chloro-1-fluoroetheneN65C(Cl)=C(Br)(F)InChI=1S/C2HBrClF/c3-2(5)1-4/h1HInChIKey=VBTPHROFYWJIHK-UHFFFAOYSA-N93.1Ex 93.12(BP est) -74.44(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(Br)(F) -74.4PredN
C(Br)=C(Cl)(F)8397159.382C2HBrClF2-bromo-1-chloro-1-fluoroetheneN65C(Br)=C(Cl)(F)InChI=1S/C2HBrClF/c3-1-2(4)5/h1HInChIKey=RZOKWSGNRMNGIB-UHFFFAOYSA-N93.1Ex 93.12(BP est) -74.44(MP est) ----(BP exp) ----(MP exp) C(Br)=C(Cl)(F) -74.4PredN
OC(Cl)(C)Br8398159.407C2H4BrClO1-bromo-1-chloroethan-1-olN95OC(Cl)(C)BrInChI=1S/C2H4BrClO/c1-2(3,4)5/h5H,1H3InChIKey=CSKXMHZXROJPKF-UHFFFAOYSA-N137.9Ex 137.88(BP est) -20.53(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C)Br -20.5PredN
OC(Br)(CCl)8399159.407C2H4BrClO1-bromo-2-chloroethan-1-olN95OC(Br)(CCl)InChI=1S/C2H4BrClO/c3-2(5)1-4/h2,5H,1H2InChIKey=CFPQAWBKZPNURA-UHFFFAOYSA-N180.2Ex 180.21(BP est) -16.88(MP est) ----(BP exp) ----(MP exp) OC(Br)(CCl) -16.9PredN
OC(Cl)(CBr)8400159.407C2H4BrClO2-bromo-1-chloroethan-1-olN95OC(Cl)(CBr)InChI=1S/C2H4BrClO/c3-1-2(4)5/h2,5H,1H2InChIKey=BYXYYDFDKFSNTE-UHFFFAOYSA-N168.7Ex 168.73(BP est) -20.23(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CBr) -20.2PredN
OC(C(Br)Cl)8401159.407C2H4BrClO2-bromo-2-chloroethan-1-olN95OC(C(Br)Cl)InChI=1S/C2H4BrClO/c3-2(4)1-5/h2,5H,1H2InChIKey=CCXOMEPNXJIOET-UHFFFAOYSA-N175.6Ex 175.56(BP est) -18.24(MP est) ----(BP exp) ----(MP exp) OC(C(Br)Cl) -18.2PredN
ClCOCBr8402159.407C2H4BrClObromo(chloromethoxy)methaneN95ClCOCBrInChI=1S/C2H4BrClO/c3-1-5-2-4/h1-2H2InChIKey=ODXSFGLGRFCFMX-UHFFFAOYSA-N141.8Ex 141.77(BP est) -39.89(MP est) ----(BP exp) ----(MP exp) ClCOCBr -39.9PredN
COC(Cl)Br8403159.407C2H4BrClObromochloro(methoxy)methaneN95COC(Cl)BrInChI=1S/C2H4BrClO/c1-5-2(3)4/h2H,1H3InChIKey=ZXFZFLUNBACXQF-UHFFFAOYSA-N115.5Ex 115.45(BP est) -55.08(MP est) ----(BP exp) ----(MP exp) COC(Cl)Br -55.1PredN
NNC(Br)(Cl)8404159.411CH4BrClN2(bromochloromethyl)hydrazineN95NNC(Br)(Cl)InChI=1S/CH4BrClN2/c2-1(3)5-4/h1,5H,4H2InChIKey=CJAPMOYGLIYLEU-UHFFFAOYSA-N170.8Ex 170.84(BP est) 12.30(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Cl) 12.3PredN
C(F)(I)8407159.93CH2FIfluoroiodomethaneN53C(F)(I)InChI=1S/CH2FI/c2-1-3/h1H2InChIKey=XGVXNTVBGYLJIR-UHFFFAOYSA-N53.4Ex 66.53(BP est) -94.15(MP est) 53.40(BP exp) ----(MP exp) C(F)(I) -94.2PredN
CNC(Br)(F)(F)8408159.962C2H4BrF2N1-bromo-1,1-difluoro-N-methylmethanamineN106CNC(Br)(F)(F)InChI=1S/C2H4BrF2N/c1-6-2(3,4)5/h6H,1H3InChIKey=FAJAKVFRUCPAQU-UHFFFAOYSA-N79.2Ex 79.21(BP est) -56.10(MP est) ----(BP exp) ----(MP exp) CNC(Br)(F)(F) -56.1PredN
NC(Br)(F)(CF)8409159.962C2H4BrF2N1-bromo-1,2-difluoroethan-1-amineN106NC(Br)(F)(CF)InChI=1S/C2H4BrF2N/c3-2(5,6)1-4/h1,6H2InChIKey=KHQSESLUJWHSKY-UHFFFAOYSA-N98.3Ex 98.33(BP est) -35.22(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(CF) -35.2PredN
C(F)NC(Br)(F)8410159.962C2H4BrF2N1-bromo-1-fluoro-N-(fluoromethyl)methanamineN106C(F)NC(Br)(F)InChI=1S/C2H4BrF2N/c3-2(5)6-1-4/h2,6H,1H2InChIKey=RBESMYMSGYSLRK-UHFFFAOYSA-N89.0Ex 88.97(BP est) -61.97(MP est) ----(BP exp) ----(MP exp) C(F)NC(Br)(F) -62PredN
NC(Br)(C(F)F)8411159.962C2H4BrF2N1-bromo-2,2-difluoroethan-1-amineN106NC(Br)(C(F)F)InChI=1S/C2H4BrF2N/c3-1(6)2(4)5/h1-2H,6H2InChIKey=WKSDEFPKXXUCHR-UHFFFAOYSA-N93.3Ex 93.34(BP est) -52.89(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(F)F) -52.9PredN
NC(F)(F)(CBr)8412159.962C2H4BrF2N2-bromo-1,1-difluoroethan-1-amineN106NC(F)(F)(CBr)InChI=1S/C2H4BrF2N/c3-1-2(4,5)6/h1,6H2InChIKey=DAYGWQBUUQUHLO-UHFFFAOYSA-N98.3Ex 98.33(BP est) -35.22(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(CBr) -35.2PredN
NC(F)(C(Br)F)8413159.962C2H4BrF2N2-bromo-1,2-difluoroethan-1-amineN106NC(F)(C(Br)F)InChI=1S/C2H4BrF2N/c3-1(4)2(5)6/h1-2H,6H2InChIKey=RGHMYFGAQDGULQ-UHFFFAOYSA-N93.3Ex 93.34(BP est) -52.89(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Br)F) -52.9PredN
NC(C(Br)(F)F)8414159.962C2H4BrF2N2-bromo-2,2-difluoroethan-1-amineN106NC(C(Br)(F)F)InChI=1S/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2InChIKey=INKAHVFOZPBNHQ-UHFFFAOYSA-N98.3Ex 98.33(BP est) -35.22(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(F)F) -35.2PredN
C(Br)NC(F)(F)8415159.962C2H4BrF2NN-(bromomethyl)-1,1-difluoromethanamineN106C(Br)NC(F)(F)InChI=1S/C2H4BrF2N/c3-1-6-2(4)5/h2,6H,1H2InChIKey=ZCWCIBLYDMBUFG-UHFFFAOYSA-N89.0Ex 88.97(BP est) -61.97(MP est) ----(BP exp) ----(MP exp) C(Br)NC(F)(F) -62PredN
S=P(OC)(S)S8416160.204CH5OPS3O-methyl S,S-dihydrogen phosphorotrithioateN116S=P(OC)(S)SInChI=1S/CH5OPS3/c1-2-3(4,5)6/h1H3,(H2,4,5,6)InChIKey=CGFGWOYZRKIILY-UHFFFAOYSA-N225.1Ex 225.05(BP est) -72.80(MP est) ----(BP exp) ----(MP exp) S=P(OC)(S)S -72.8PredN
NOC(Cl)Br8417160.395CH3BrClNOO-(bromochloromethyl)hydroxylamineN85NOC(Cl)BrInChI=1S/CH3BrClNO/c2-1(3)5-4/h1H,4H2InChIKey=XOUDOVLCEORBFK-UHFFFAOYSA-N152.9Ex 152.92(BP est) -8.14(MP est) ----(BP exp) ----(MP exp) NOC(Cl)Br -8.1PredN
CSSSC(Cl)8418160.692C2H5ClS31-(chloromethyl)-3-methyltrisulfaneN116CSSSC(Cl)InChI=1S/C2H5ClS3/c1-4-6-5-2-3/h2H2,1H3InChIKey=IEFHGDFVQXUXAH-UHFFFAOYSA-N230.1Ex 230.07(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) CSSSC(Cl) -3.5PredN
C(Br)(F)=C(F)(F)8426160.921C2BrF31-bromo-1,2,2-trifluoroetheneN66C(Br)(F)=C(F)(F)InChI=1S/C2BrF3/c3-1(4)2(5)6InChIKey=AYCANDRGVPTASA-UHFFFAOYSA-N-2.7Ex 53.70(BP est) -107.30(MP est) -1.00(BP exp) ----(MP exp) C(Br)(F)=C(F)(F) -107.3PredN
C#CPC#CBr8427160.938C4H2BrP(bromoethynyl)(ethynyl)phosphaneN86C#CPC#CBrInChI=1S/C4H2BrP/c1-2-6-4-3-5/h1,6HInChIKey=BOZQXMIKGNBZDT-UHFFFAOYSA-N164.4Ex 164.40(BP est) 9.14(MP est) ----(BP exp) ----(MP exp) C#CPC#CBr 9.1PredN
C(Br)OC(F)(F)8428160.946C2H3BrF2O(bromomethoxy)difluoromethaneN96C(Br)OC(F)(F)InChI=1S/C2H3BrF2O/c3-1-6-2(4)5/h2H,1H2InChIKey=REJWHKCYEPHLJA-UHFFFAOYSA-N68.4Ex 68.36(BP est) -83.20(MP est) ----(BP exp) ----(MP exp) C(Br)OC(F)(F) -83.2PredN
OC(Br)(F)(CF)8429160.946C2H3BrF2O1-bromo-1,2-difluoroethan-1-olN96OC(Br)(F)(CF)InChI=1S/C2H3BrF2O/c3-2(5,6)1-4/h6H,1H2InChIKey=XLFPBQRQTRLSDF-UHFFFAOYSA-N105.6Ex 105.59(BP est) -44.32(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(CF) -44.3PredN
OC(Br)(C(F)F)8430160.946C2H3BrF2O1-bromo-2,2-difluoroethan-1-olN96OC(Br)(C(F)F)InChI=1S/C2H3BrF2O/c3-1(6)2(4)5/h1-2,6HInChIKey=CXVXKYXQOWNIHF-UHFFFAOYSA-N111.8Ex 111.76(BP est) -58.73(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(F)F) -58.7PredN
OC(F)(F)(CBr)8431160.946C2H3BrF2O2-bromo-1,1-difluoroethan-1-olN96OC(F)(F)(CBr)InChI=1S/C2H3BrF2O/c3-1-2(4,5)6/h6H,1H2InChIKey=LHZFFODBVKMXCG-UHFFFAOYSA-N105.6Ex 105.59(BP est) -44.32(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(CBr) -44.3PredN
OC(F)(C(Br)F)8432160.946C2H3BrF2O2-bromo-1,2-difluoroethan-1-olN96OC(F)(C(Br)F)InChI=1S/C2H3BrF2O/c3-1(4)2(5)6/h1-2,6HInChIKey=WPCZCCAVUNNOOQ-UHFFFAOYSA-N111.8Ex 111.76(BP est) -58.73(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Br)F) -58.7PredN
OC(C(Br)(F)F)8433160.946C2H3BrF2O2-bromo-2,2-difluoroethan-1-olN96OC(C(Br)(F)F)InChI=1S/C2H3BrF2O/c3-2(4,5)1-6/h6H,1H2InChIKey=ZAIZJZXPWYLNLE-UHFFFAOYSA-N124.1Ex 124.12(BP est) -38.91(MP est) ----(BP exp) ----(MP exp) OC(C(Br)(F)F) -38.9PredN
COC(Br)(F)(F)8434160.946C2H3BrF2Obromodifluoro(methoxy)methaneN96COC(Br)(F)(F)InChI=1S/C2H3BrF2O/c1-6-2(3,4)5/h1H3InChIKey=BCBGSUUPJRTJOW-UHFFFAOYSA-N58.3Ex 58.30(BP est) -77.42(MP est) ----(BP exp) ----(MP exp) COC(Br)(F)(F) -77.4PredN
C(F)OC(Br)(F)8435160.946C2H3BrF2Obromofluoro(fluoromethoxy)methaneN96C(F)OC(Br)(F)InChI=1S/C2H3BrF2O/c3-2(5)6-1-4/h2H,1H2InChIKey=KKNZDWFWAIMAFS-UHFFFAOYSA-N68.4Ex 68.36(BP est) -83.20(MP est) ----(BP exp) ----(MP exp) C(F)OC(Br)(F) -83.2PredN
NNC(Br)(F)(F)8436160.95CH3BrF2N2(bromodifluoromethyl)hydrazineN96NNC(Br)(F)(F)InChI=1S/CH3BrF2N2/c2-1(3,4)6-5/h6H,5H2InChIKey=DTXBTYRUEMNZNK-UHFFFAOYSA-N118.9Ex 118.93(BP est) -8.51(MP est) ----(BP exp) ----(MP exp) NNC(Br)(F)(F) -8.5PredN
BrC#CC1=CS18437161.016C4HBrS2-(bromoethynyl)thiireneN76BrC#CC1=CS1InChI=1S/C4HBrS/c5-2-1-4-3-6-4/h3HInChIKey=BCAUYOTZGQJPCY-UHFFFAOYSA-N190.3Ex 190.28(BP est) 33.21(MP est) ----(BP exp) ----(MP exp) BrC#CC1=CS1 33.2PredN
BrC(S1)=C1C#C8438161.016C4HBrS2-bromo-3-ethynylthiireneN76BrC(S1)=C1C#CInChI=1S/C4HBrS/c1-2-3-4(5)6-3/h1HInChIKey=ZCBOXBSFIJZEMJ-UHFFFAOYSA-N180.9Ex 180.85(BP est) 17.42(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1C#C 17.4PredN
BrC(P)Cl8439161.363CH3BrClP(bromochloromethyl)phosphaneN74BrC(P)ClInChI=1S/CH3BrClP/c2-1(3)4/h1H,4H2InChIKey=HYSNATASQDNNFK-UHFFFAOYSA-N126.9Ex 126.92(BP est) -52.80(MP est) ----(BP exp) ----(MP exp) BrC(P)Cl -52.8PredN
C(C(Br)(Cl)F)8440161.398C2H3BrClF1-bromo-1-chloro-1-fluoroethaneN85C(C(Br)(Cl)F)InChI=1S/C2H3BrClF/c1-2(3,4)5/h1H3InChIKey=IUEOVIJFFFDZTG-UHFFFAOYSA-N69.8Ex 69.75(BP est) -70.53(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Cl)F) -70.5PredN
C(F)(C(Br)Cl)8441161.398C2H3BrClF1-bromo-1-chloro-2-fluoroethaneN85C(F)(C(Br)Cl)InChI=1S/C2H3BrClF/c3-2(4)1-5/h2H,1H2InChIKey=UFFZDOAFRLOWPL-UHFFFAOYSA-N82.4Ex 93.00(BP est) -72.46(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)Cl) -72.5PredN
C(Cl)(C(Br)F)8442161.398C2H3BrClF1-bromo-2-chloro-1-fluoroethaneN85C(Cl)(C(Br)F)InChI=1S/C2H3BrClF/c3-2(5)1-4/h2H,1H2InChIKey=YNRYWYWNZXZZHZ-UHFFFAOYSA-N106.1Ex 106.12(BP est) -68.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)F) -68.6PredN
C(Br)(C(Cl)F)8443161.398C2H3BrClF2-bromo-1-chloro-1-fluoroethaneN85C(Br)(C(Cl)F)InChI=1S/C2H3BrClF/c3-1-2(4)5/h2H,1H2InChIKey=ADGYLICVEHSKBQ-UHFFFAOYSA-N96.6Ex 93.00(BP est) -72.46(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)F) -72.5PredN
SC(Cl)Br8444161.441CH2BrClSbromochloromethanethiolN64SC(Cl)BrInChI=1S/CH2BrClS/c2-1(3)4/h1,4HInChIKey=URBXFSFMKULDJC-UHFFFAOYSA-N148.0Ex 147.98(BP est) -44.10(MP est) ----(BP exp) ----(MP exp) SC(Cl)Br -44.1PredN
NOC(F)(F)Br8445161.934CH2BrF2NOO-(bromodifluoromethyl)hydroxylamineN86NOC(F)(F)BrInChI=1S/CH2BrF2NO/c2-1(3,4)6-5/h5H2InChIKey=FNFKYLSVKDPANB-UHFFFAOYSA-N99.3Ex 99.26(BP est) -29.47(MP est) ----(BP exp) ----(MP exp) NOC(F)(F)Br -29.5PredN
NC(Br)(Cl)(F)8446162.386CH2BrClFNbromochlorofluoromethanamineN75NC(Br)(Cl)(F)InChI=1S/CH2BrClFN/c2-1(3,4)5/h5H2InChIKey=HISIPJJXFFMWOV-UHFFFAOYSA-N110.0Ex 110.04(BP est) -22.78(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)(F) -22.8PredN
PC(F)(Br)F8450162.902CH2BrF2P(bromodifluoromethyl)phosphaneN75PC(F)(Br)FInChI=1S/CH2BrF2P/c2-1(3,4)5/h5H2InChIKey=XQMFFRLBMKFLQC-UHFFFAOYSA-N70.8Ex 70.82(BP est) -74.84(MP est) ----(BP exp) ----(MP exp) PC(F)(Br)F -74.8PredN
C(F)(C(Br)(F)F)8451162.937C2H2BrF31-bromo-1,1,2-trifluoroethaneN86C(F)(C(Br)(F)F)InChI=1S/C2H2BrF3/c3-2(5,6)1-4/h1H2InChIKey=JADKSJUAZCGWNI-UHFFFAOYSA-N33.9Ex 33.87(BP est) -95.38(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(F)F) -95.4PredN
C(Br)(F)(C(F)F)8452162.937C2H2BrF31-bromo-1,2,2-trifluoroethaneN86C(Br)(F)(C(F)F)InChI=1S/C2H2BrF3/c3-1(4)2(5)6/h1-2HInChIKey=XEQSOPGUJKNNRQ-UHFFFAOYSA-N28.4Ex 28.40(BP est) -113.19(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C(F)F) -113.2PredN
C(Br)(C(F)(F)F)8453162.937C2H2BrF32-bromo-1,1,1-trifluoroethaneN86C(Br)(C(F)(F)F)InChI=1S/C2H2BrF3/c3-1-2(4,5)6/h1H2InChIKey=TZNJHEHAYZJBHR-UHFFFAOYSA-N26.0Ex 33.87(BP est) -95.38(MP est) 26.00(BP exp) -93.90(MP exp) C(Br)(C(F)(F)F) -93.9ExptN
BrC(PC#C)=C8454162.954C4H4BrP(1-bromovinyl)(ethynyl)phosphaneN106BrC(PC#C)=CInChI=1S/C4H4BrP/c1-3-6-4(2)5/h1,6H,2H2InChIKey=GIGHWBQIWQLUJV-UHFFFAOYSA-N140.9Ex 140.88(BP est) -31.84(MP est) ----(BP exp) ----(MP exp) BrC(PC#C)=C -31.8PredN
BrC=CPC#C8455162.954C4H4BrP(2-bromovinyl)(ethynyl)phosphaneN106BrC=CPC#CInChI=1S/C4H4BrP/c1-2-6-4-3-5/h1,3-4,6HInChIKey=MEUXUSBZGXLMNX-UHFFFAOYSA-N155.4Ex 155.39(BP est) -22.28(MP est) ----(BP exp) ----(MP exp) BrC=CPC#C -22.3PredN
C=CPC#CBr8456162.954C4H4BrP(bromoethynyl)(vinyl)phosphaneN106C=CPC#CBrInChI=1S/C4H4BrP/c1-2-6-4-3-5/h2,6H,1H2InChIKey=YZWCRRRVIFECOJ-UHFFFAOYSA-N155.2Ex 155.18(BP est) 8.89(MP est) ----(BP exp) ----(MP exp) C=CPC#CBr 8.9PredN
BrC#CP1CC18457162.954C4H4BrP1-(bromoethynyl)phosphiraneN106BrC#CP1CC1InChI=1S/C4H4BrP/c5-1-2-6-3-4-6/h3-4H2InChIKey=VDPLEDCOQZBJDN-UHFFFAOYSA-N165.6Ex 165.64(BP est) 24.98(MP est) ----(BP exp) ----(MP exp) BrC#CP1CC1 25PredN
C#CP1C(Br)C18458162.954C4H4BrP2-bromo-1-ethynylphosphiraneN106C#CP1C(Br)C1InChI=1S/C4H4BrP/c1-2-6-3-4(6)5/h1,4H,3H2InChIKey=SIKHYAKYXYZJBM-UHFFFAOYSA-N151.2Ex 151.24(BP est) -10.91(MP est) ----(BP exp) ----(MP exp) C#CP1C(Br)C1 -10.9PredN
BrC1=CC=CP18459162.954C4H4BrP2-bromo-1H-phospholeN106BrC1=CC=CP1InChI=1S/C4H4BrP/c5-4-2-1-3-6-4/h1-3,6HInChIKey=MTGDQUPPOBJJFG-UHFFFAOYSA-N156.9Ex 156.91(BP est) -26.43(MP est) ----(BP exp) ----(MP exp) BrC1=CC=CP1 -26.4PredN
BrC1=CPC=C18460162.954C4H4BrP3-bromo-1H-phospholeN106BrC1=CPC=C1InChI=1S/C4H4BrP/c5-4-1-2-6-3-4/h1-3,6HInChIKey=YBVLDZUAXKHEFP-UHFFFAOYSA-N156.9Ex 156.91(BP est) -26.43(MP est) ----(BP exp) ----(MP exp) BrC1=CPC=C1 -26.4PredN
SC(Br)(F)(F)8462162.98CHBrF2SbromodifluoromethanethiolN65SC(Br)(F)(F)InChI=1S/CHBrF2S/c2-1(3,4)5/h5HInChIKey=LAUNUBWBGRTNHE-UHFFFAOYSA-N93.9Ex 93.85(BP est) -65.57(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(F) -65.6PredN
BrC(C1=CS1)=C8464163.032C4H3BrS2-(1-bromovinyl)thiireneN96BrC(C1=CS1)=CInChI=1S/C4H3BrS/c1-3(5)4-2-6-4/h2H,1H2InChIKey=YTAAEJFDKBKIEL-UHFFFAOYSA-N168.0Ex 167.96(BP est) 1.54(MP est) ----(BP exp) ----(MP exp) BrC(C1=CS1)=C 1.5PredN
BrC=CC1=CS18465163.032C4H3BrS2-(2-bromovinyl)thiireneN96BrC=CC1=CS1InChI=1S/C4H3BrS/c5-2-1-4-3-6-4/h1-3HInChIKey=LKEXPBKEBWMIDE-UHFFFAOYSA-N181.7Ex 181.74(BP est) 10.88(MP est) ----(BP exp) ----(MP exp) BrC=CC1=CS1 10.9PredN
BrC#CC1CS18466163.032C4H3BrS2-(bromoethynyl)thiiraneN96BrC#CC1CS1InChI=1S/C4H3BrS/c5-2-1-4-3-6-4/h4H,3H2InChIKey=LPOMQCRBQMRAPM-UHFFFAOYSA-N183.4Ex 183.41(BP est) 25.82(MP est) ----(BP exp) ----(MP exp) BrC#CC1CS1 25.8PredN
BrC1(C#C)CS18467163.032C4H3BrS2-bromo-2-ethynylthiiraneN96BrC1(C#C)CS1InChI=1S/C4H3BrS/c1-2-4(5)3-6-4/h1H,3H2InChIKey=KUDVGCXHQMRTQA-UHFFFAOYSA-N164.4Ex 164.44(BP est) 8.70(MP est) ----(BP exp) ----(MP exp) BrC1(C#C)CS1 8.7PredN
BrC1C(C#C)S18468163.032C4H3BrS2-bromo-3-ethynylthiiraneN96BrC1C(C#C)S1InChI=1S/C4H3BrS/c1-2-3-4(5)6-3/h1,3-4HInChIKey=MDZLPDSHXANCNE-UHFFFAOYSA-N169.5Ex 169.52(BP est) 22.46(MP est) ----(BP exp) ----(MP exp) BrC1C(C#C)S1 22.5PredN
BrC(S1)=C1C=C8469163.032C4H3BrS2-bromo-3-vinylthiireneN96BrC(S1)=C1C=CInChI=1S/C4H3BrS/c1-2-3-4(5)6-3/h2H,1H2InChIKey=UTLRCPLFBXMREE-UHFFFAOYSA-N171.9Ex 171.93(BP est) 15.94(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1C=C 15.9PredN
BrC1CC2=C1S28470163.032C4H3BrS2-bromo-5-thiabicyclo[2.1.0]pent-1(4)-eneN96BrC1CC2=C1S2InChI=1S/C4H3BrS/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=WLUQNIFKKOXZQD-UHFFFAOYSA-N175.2Ex 175.16(BP est) 28.49(MP est) ----(BP exp) ----(MP exp) BrC1CC2=C1S2 28.5PredN
CSSC(Cl)(Cl)8471163.074C2H4Cl2S21-(dichloromethyl)-2-methyldisulfaneN106CSSC(Cl)(Cl)InChI=1S/C2H4Cl2S2/c1-5-6-2(3)4/h2H,1H3InChIKey=GNOFUEROCTWYCT-UHFFFAOYSA-N193.7Ex 193.65(BP est) -23.91(MP est) ----(BP exp) ----(MP exp) CSSC(Cl)(Cl) -23.9PredN
C(Cl)SSC(Cl)8472163.074C2H4Cl2S21,2-bis(chloromethyl)disulfaneN106C(Cl)SSC(Cl)InChI=1S/C2H4Cl2S2/c3-1-5-6-2-4/h1-2H2InChIKey=AVIJCTKPQJGONY-UHFFFAOYSA-N145.0Ex 226.58(BP est) -6.79(MP est) ----(BP exp) ----(MP exp) C(Cl)SSC(Cl) -6.8PredN
BrC1[Si]2(C1)CC28473163.089C4H7BrSi1-bromo-3-silaspiro[2.2]pentaneN136BrC1[Si]2(C1)CC2InChI=1S/C4H7BrSi/c5-4-3-6(4)1-2-6/h4H,1-3H2InChIKey=QNACTBICBOLAJQ-UHFFFAOYSA-N98.2Ex 98.15(BP est) 0.57(MP est) ----(BP exp) ----(MP exp) BrC1[Si]2(C1)CC2 0.6PredN
PC(Cl)=C(Cl)Cl8475163.362C2H2Cl3P(1,2,2-trichlorovinyl)phosphaneN86PC(Cl)=C(Cl)ClInChI=1S/C2H2Cl3P/c3-1(4)2(5)6/h6H2InChIKey=CFPIFYDEJREBPP-UHFFFAOYSA-N138.1Ex 138.06(BP est) -52.89(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(Cl)Cl -52.9PredN
ClC1C(Cl)(Cl)P18476163.362C2H2Cl3P2,2,3-trichlorophosphiraneN86ClC1C(Cl)(Cl)P1InChI=1S/C2H2Cl3P/c3-1-2(4,5)6-1/h1,6HInChIKey=QQNYARQADHMFAR-UHFFFAOYSA-N125.5Ex 125.53(BP est) -27.67(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(Cl)P1 -27.7PredN
OC(Br)(Cl)(F)8477163.37CHBrClFObromochlorofluoromethanolN65OC(Br)(Cl)(F)InChI=1S/CHBrClFO/c2-1(3,4)5/h5HInChIKey=CHVVINWKTCBABO-UHFFFAOYSA-N117.2Ex 117.16(BP est) -31.92(MP est) ----(BP exp) ----(MP exp) OC(Br)(Cl)(F) -31.9PredN
C(Cl)#C(C#CBr)8478163.398C4BrCl1-bromo-4-chlorobuta-1,3-diyneN66C(Cl)#C(C#CBr)InChI=1S/C4BrCl/c5-3-1-2-4-6InChIKey=AHWHKMGMNZVRFP-UHFFFAOYSA-N168.7Ex 168.66(BP est) 29.51(MP est) ----(BP exp) ----(MP exp) C(Cl)#C(C#CBr) 29.5PredN
ClC1C(Cl)(Cl)S18479163.44C2HCl3S2,2,3-trichlorothiiraneN76ClC1C(Cl)(Cl)S1InChI=1S/C2HCl3S/c3-1-2(4,5)6-1/h1HInChIKey=FYIZWQOBMSVYSP-UHFFFAOYSA-N152.0Ex 151.98(BP est) 9.52(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(Cl)S1 9.5PredN
BrC(Cl)Cl8480163.823CHBrCl2bromodichloromethaneN54BrC(Cl)ClInChI=1S/CHBrCl2/c2-1(3)4/h1HInChIKey=FMWLUWPQPKEARP-UHFFFAOYSA-N87.8Ex 117.64(BP est) -56.23(MP est) 90.00(BP exp) -57.00(MP exp) BrC(Cl)Cl -57ExptY(Gribble 2003)
O=PC(Br)C#C8490164.926C3H2BrOP(1-bromoprop-2-yn-1-yl)(oxo)phosphaneN86O=PC(Br)C#CInChI=1S/C3H2BrOP/c1-2-3(4)6-5/h1,3HInChIKey=LTUGKBSCEPYLCQ-UHFFFAOYSA-N175.4Ex 175.42(BP est) -1.34(MP est) ----(BP exp) ----(MP exp) O=PC(Br)C#C -1.3PredN
O=PCC#CBr8491164.926C3H2BrOP(3-bromoprop-2-yn-1-yl)(oxo)phosphaneN86O=PCC#CBrInChI=1S/C3H2BrOP/c4-2-1-3-6-5/h3H2InChIKey=BIEDEJLEQKZEHO-UHFFFAOYSA-N195.5Ex 195.49(BP est) 25.32(MP est) ----(BP exp) ----(MP exp) O=PCC#CBr 25.3PredN
BrC(P)CC#C8492164.97C4H6BrP(1-bromobut-3-yn-1-yl)phosphaneN126BrC(P)CC#CInChI=1S/C4H6BrP/c1-2-3-4(5)6/h1,4H,3,6H2InChIKey=JCFIHDCINXTCEX-UHFFFAOYSA-N154.3Ex 154.26(BP est) -19.38(MP est) ----(BP exp) ----(MP exp) BrC(P)CC#C -19.4PredN
BrCC(P)C#C8493164.97C4H6BrP(1-bromobut-3-yn-2-yl)phosphaneN126BrCC(P)C#CInChI=1S/C4H6BrP/c1-2-4(6)3-5/h1,4H,3,6H2InChIKey=QTSBYUOWOQTCRA-UHFFFAOYSA-N154.3Ex 154.26(BP est) -19.38(MP est) ----(BP exp) ----(MP exp) BrCC(P)C#C -19.4PredN
BrC1(P)CC=C18494164.97C4H6BrP(1-bromocyclobut-2-en-1-yl)phosphaneN126BrC1(P)CC=C1InChI=1S/C4H6BrP/c5-4(6)2-1-3-4/h1-2H,3,6H2InChIKey=LMEGXAKBAFAYQM-UHFFFAOYSA-N156.8Ex 156.82(BP est) -15.08(MP est) ----(BP exp) ----(MP exp) BrC1(P)CC=C1 -15.1PredN
BrC(PC#C)C8495164.97C4H6BrP(1-bromoethyl)(ethynyl)phosphaneN126BrC(PC#C)CInChI=1S/C4H6BrP/c1-3-6-4(2)5/h1,4,6H,2H3InChIKey=XFUDHICQSKIMGI-UHFFFAOYSA-N135.1Ex 135.12(BP est) -33.16(MP est) ----(BP exp) ----(MP exp) BrC(PC#C)C -33.2PredN
CPC(C#C)Br8496164.97C4H6BrP(1-bromoprop-2-yn-1-yl)(methyl)phosphaneN126CPC(C#C)BrInChI=1S/C4H6BrP/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=JAJUHYHGSZKQJU-UHFFFAOYSA-N135.1Ex 135.12(BP est) -33.16(MP est) ----(BP exp) ----(MP exp) CPC(C#C)Br -33.2PredN
C=CPC(Br)=C8497164.97C4H6BrP(1-bromovinyl)(vinyl)phosphaneN126C=CPC(Br)=CInChI=1S/C4H6BrP/c1-3-6-4(2)5/h3,6H,1-2H2InChIKey=QSIYMKIHGOGXCC-UHFFFAOYSA-N131.2Ex 131.24(BP est) -59.01(MP est) ----(BP exp) ----(MP exp) C=CPC(Br)=C -59PredN
BrC(C#C)CP8498164.97C4H6BrP(2-bromobut-3-yn-1-yl)phosphaneN126BrC(C#C)CPInChI=1S/C4H6BrP/c1-2-4(5)3-6/h1,4H,3,6H2InChIKey=UQCOUCNOZBUFFD-UHFFFAOYSA-N154.3Ex 154.26(BP est) -19.38(MP est) ----(BP exp) ----(MP exp) BrC(C#C)CP -19.4PredN
BrC(C#C)(P)C8499164.97C4H6BrP(2-bromobut-3-yn-2-yl)phosphaneN126BrC(C#C)(P)CInChI=1S/C4H6BrP/c1-3-4(2,5)6/h1H,6H2,2H3InChIKey=DSAAHLONUGXGFI-UHFFFAOYSA-N145.5Ex 145.52(BP est) -13.23(MP est) ----(BP exp) ----(MP exp) BrC(C#C)(P)C -13.2PredN
BrCCPC#C8500164.97C4H6BrP(2-bromoethyl)(ethynyl)phosphaneN126BrCCPC#CInChI=1S/C4H6BrP/c1-2-6-4-3-5/h1,6H,3-4H2InChIKey=YHTJAWSYGWIRCL-UHFFFAOYSA-N148.6Ex 148.62(BP est) -21.72(MP est) ----(BP exp) ----(MP exp) BrCCPC#C -21.7PredN
C=CPC=CBr8501164.97C4H6BrP(2-bromovinyl)(vinyl)phosphaneN126C=CPC=CBrInChI=1S/C4H6BrP/c1-2-6-4-3-5/h2-4,6H,1H2InChIKey=CWJPJAVHQVEREN-UHFFFAOYSA-N146.0Ex 146.01(BP est) -49.38(MP est) ----(BP exp) ----(MP exp) C=CPC=CBr -49.4PredN
CPCC#CBr8502164.97C4H6BrP(3-bromoprop-2-yn-1-yl)(methyl)phosphaneN126CPCC#CBrInChI=1S/C4H6BrP/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=LNJXJEHKBFDTCR-UHFFFAOYSA-N156.8Ex 156.82(BP est) 10.24(MP est) ----(BP exp) ----(MP exp) CPCC#CBr 10.2PredN
CCPC#CBr8503164.97C4H6BrP(bromoethynyl)(ethyl)phosphaneN126CCPC#CBrInChI=1S/C4H6BrP/c1-2-6-4-3-5/h6H,2H2,1H3InChIKey=BLWCMAHGRDEVMR-UHFFFAOYSA-N156.8Ex 156.82(BP est) 10.24(MP est) ----(BP exp) ----(MP exp) CCPC#CBr 10.2PredN
CP(C)C#CBr8504164.97C4H6BrP(bromoethynyl)dimethylphosphaneN126CP(C)C#CBrInChI=1S/C4H6BrP/c1-6(2)4-3-5/h1-2H3InChIKey=KTVBDTUFHUZJSL-UHFFFAOYSA-N157.7Ex 157.69(BP est) 9.81(MP est) ----(BP exp) ----(MP exp) CP(C)C#CBr 9.8PredN
CP(CBr)C#C8505164.97C4H6BrP(bromomethyl)(ethynyl)(methyl)phosphaneN126CP(CBr)C#CInChI=1S/C4H6BrP/c1-3-6(2)4-5/h1H,4H2,2H3InChIKey=SXLREFJLRAPABN-UHFFFAOYSA-N149.5Ex 149.51(BP est) -22.14(MP est) ----(BP exp) ----(MP exp) CP(CBr)C#C -22.1PredN
BrCPCC#C8506164.97C4H6BrP(bromomethyl)(prop-2-yn-1-yl)phosphaneN126BrCPCC#CInChI=1S/C4H6BrP/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=KTHBMENJOZYXLR-UHFFFAOYSA-N148.6Ex 148.62(BP est) -21.72(MP est) ----(BP exp) ----(MP exp) BrCPCC#C -21.7PredN
BrC(P1CC1)=C8507164.97C4H6BrP1-(1-bromovinyl)phosphiraneN126BrC(P1CC1)=CInChI=1S/C4H6BrP/c1-4(5)6-2-3-6/h1-3H2InChIKey=WGWBMHUICXFQSL-UHFFFAOYSA-N142.2Ex 142.16(BP est) -42.78(MP est) ----(BP exp) ----(MP exp) BrC(P1CC1)=C -42.8PredN
BrC=CP1CC18508164.97C4H6BrP1-(2-bromovinyl)phosphiraneN126BrC=CP1CC1InChI=1S/C4H6BrP/c5-1-2-6-3-4-6/h1-2H,3-4H2InChIKey=GZQUBLTWHPJYLM-UHFFFAOYSA-N156.6Ex 156.64(BP est) -33.23(MP est) ----(BP exp) ----(MP exp) BrC=CP1CC1 -33.2PredN
BrCP1C=CC18509164.97C4H6BrP1-(bromomethyl)-1,2-dihydrophospheteN126BrCP1C=CC1InChI=1S/C4H6BrP/c5-4-6-2-1-3-6/h1-2H,3-4H2InChIKey=XTDHEZQKWDTYMH-UHFFFAOYSA-N154.8Ex 154.79(BP est) -32.62(MP est) ----(BP exp) ----(MP exp) BrCP1C=CC1 -32.6PredN
CP1C=CC1Br8510164.97C4H6BrP2-bromo-1-methyl-1,2-dihydrophospheteN126CP1C=CC1BrInChI=1S/C4H6BrP/c1-6-3-2-4(6)5/h2-4H,1H3InChIKey=NTURYDMBEPSLLX-UHFFFAOYSA-N148.4Ex 148.41(BP est) -36.60(MP est) ----(BP exp) ----(MP exp) CP1C=CC1Br -36.6PredN
BrC1CP1C=C8511164.97C4H6BrP2-bromo-1-vinylphosphiraneN126BrC1CP1C=CInChI=1S/C4H6BrP/c1-2-6-3-4(6)5/h2,4H,1,3H2InChIKey=WMTMGVLJCOSKRL-UHFFFAOYSA-N141.8Ex 141.78(BP est) -38.03(MP est) ----(BP exp) ----(MP exp) BrC1CP1C=C -38PredN
BrC1CC=CP18512164.97C4H6BrP2-bromo-2,3-dihydro-1H-phospholeN126BrC1CC=CP1InChI=1S/C4H6BrP/c5-4-2-1-3-6-4/h1,3-4,6H,2H2InChIKey=ISCSIJZROISGOE-UHFFFAOYSA-N149.6Ex 149.55(BP est) -37.34(MP est) ----(BP exp) ----(MP exp) BrC1CC=CP1 -37.3PredN
CP1C=C(Br)C18513164.97C4H6BrP3-bromo-1-methyl-1,2-dihydrophospheteN126CP1C=C(Br)C1InChI=1S/C4H6BrP/c1-6-2-4(5)3-6/h2H,3H2,1H3InChIKey=VCRMISCKMIJAAQ-UHFFFAOYSA-N152.9Ex 152.91(BP est) -26.90(MP est) ----(BP exp) ----(MP exp) CP1C=C(Br)C1 -26.9PredN
BrC1C=CPC18514164.97C4H6BrP3-bromo-2,3-dihydro-1H-phospholeN126BrC1C=CPC1InChI=1S/C4H6BrP/c5-4-1-2-6-3-4/h1-2,4,6H,3H2InChIKey=DGZRCTPOYZRGMS-UHFFFAOYSA-N149.6Ex 149.55(BP est) -37.34(MP est) ----(BP exp) ----(MP exp) BrC1C=CPC1 -37.3PredN
CP1C(Br)=CC18515164.97C4H6BrP4-bromo-1-methyl-1,2-dihydrophospheteN126CP1C(Br)=CC1InChI=1S/C4H6BrP/c1-6-3-2-4(6)5/h2H,3H2,1H3InChIKey=XWBRXGBYHQDXDS-UHFFFAOYSA-N152.9Ex 152.91(BP est) -26.90(MP est) ----(BP exp) ----(MP exp) CP1C(Br)=CC1 -26.9PredN
BrC1=CPCC18516164.97C4H6BrP4-bromo-2,3-dihydro-1H-phospholeN126BrC1=CPCC1InChI=1S/C4H6BrP/c5-4-1-2-6-3-4/h3,6H,1-2H2InChIKey=SOXUNVFBOPDYLR-UHFFFAOYSA-N154.0Ex 154.04(BP est) -27.65(MP est) ----(BP exp) ----(MP exp) BrC1=CPCC1 -27.7PredN
BrC1=CCCP18517164.97C4H6BrP5-bromo-2,3-dihydro-1H-phospholeN126BrC1=CCCP1InChI=1S/C4H6BrP/c5-4-2-1-3-6-4/h2,6H,1,3H2InChIKey=XLEDSBBKSQYNKY-UHFFFAOYSA-N154.0Ex 154.04(BP est) -27.65(MP est) ----(BP exp) ----(MP exp) BrC1=CCCP1 -27.7PredN
CSC(Br)(C#C)8518165.048C4H5BrS(1-bromoprop-2-yn-1-yl)(methyl)sulfaneN116CSC(Br)(C#C)InChI=1S/C4H5BrS/c1-3-4(5)6-2/h1,4H,2H3InChIKey=IZVBGBIDZCCKLE-UHFFFAOYSA-N161.5Ex 161.51(BP est) -15.75(MP est) ----(BP exp) ----(MP exp) CSC(Br)(C#C) -15.8PredN
C=CSC(Br)=C8519165.048C4H5BrS(1-bromovinyl)(vinyl)sulfaneN116C=CSC(Br)=CInChI=1S/C4H5BrS/c1-3-6-4(2)5/h3H,1-2H2InChIKey=NILBSOQTQVIYNM-UHFFFAOYSA-N157.8Ex 157.81(BP est) -41.56(MP est) ----(BP exp) ----(MP exp) C=CSC(Br)=C -41.6PredN
C=CSC=C(Br)8520165.048C4H5BrS(2-bromovinyl)(vinyl)sulfaneN116C=CSC=C(Br)InChI=1S/C4H5BrS/c1-2-6-4-3-5/h2-4H,1H2InChIKey=KZOBWMDQCCDFLA-UHFFFAOYSA-N171.9Ex 171.87(BP est) -32.13(MP est) ----(BP exp) ----(MP exp) C=CSC=C(Br) -32.1PredN
C(Br)C#CSC8521165.048C4H5BrS(3-bromoprop-1-yn-1-yl)(methyl)sulfaneN116C(Br)C#CSCInChI=1S/C4H5BrS/c1-6-4-2-3-5/h3H2,1H3InChIKey=HYPDITDDAOAKCA-UHFFFAOYSA-N182.2Ex 182.15(BP est) 27.34(MP est) ----(BP exp) ----(MP exp) C(Br)C#CSC 27.3PredN
CSC(C#CBr)8522165.048C4H5BrS(3-bromoprop-2-yn-1-yl)(methyl)sulfaneN116CSC(C#CBr)InChI=1S/C4H5BrS/c1-6-4-2-3-5/h4H2,1H3InChIKey=GUFWTISXEOLUNM-UHFFFAOYSA-N182.2Ex 182.15(BP est) 27.34(MP est) ----(BP exp) ----(MP exp) CSC(C#CBr) 27.3PredN
CC#CSC(Br)8523165.048C4H5BrS(bromomethyl)(prop-1-yn-1-yl)sulfaneN116CC#CSC(Br)InChI=1S/C4H5BrS/c1-2-3-6-4-5/h4H2,1H3InChIKey=FHVUQSHRYKFVEN-UHFFFAOYSA-N182.2Ex 182.15(BP est) 27.34(MP est) ----(BP exp) ----(MP exp) CC#CSC(Br) 27.3PredN
C(Br)SC(C#C)8524165.048C4H5BrS(bromomethyl)(prop-2-yn-1-yl)sulfaneN116C(Br)SC(C#C)InChI=1S/C4H5BrS/c1-2-3-6-4-5/h1H,3-4H2InChIKey=NSVURSVPOXBKFU-UHFFFAOYSA-N174.4Ex 174.36(BP est) -4.50(MP est) ----(BP exp) ----(MP exp) C(Br)SC(C#C) -4.5PredN
BrC12C(S2)CC18525165.048C4H5BrS1-bromo-5-thiabicyclo[2.1.0]pentaneN116BrC12C(S2)CC1InChI=1S/C4H5BrS/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=LDHMZWZUTUUBIJ-UHFFFAOYSA-N158.6Ex 158.56(BP est) 20.57(MP est) ----(BP exp) ----(MP exp) BrC12C(S2)CC1 20.6PredN
SC(Br)(CC#C)8526165.048C4H5BrS1-bromobut-3-yne-1-thiolN116SC(Br)(CC#C)InChI=1S/C4H5BrS/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=RWECGWUYECKIJV-UHFFFAOYSA-N174.3Ex 174.30(BP est) -10.99(MP est) ----(BP exp) ----(MP exp) SC(Br)(CC#C) -11PredN
SC(CBr)(C#C)8527165.048C4H5BrS1-bromobut-3-yne-2-thiolN116SC(CBr)(C#C)InChI=1S/C4H5BrS/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=QTUHETIHXSQINC-UHFFFAOYSA-N174.3Ex 174.30(BP est) -10.99(MP est) ----(BP exp) ----(MP exp) SC(CBr)(C#C) -11PredN
SC(Br)(C1)(C=C1)8528165.048C4H5BrS1-bromocyclobut-2-ene-1-thiolN116SC(Br)(C1)(C=C1)InChI=1S/C4H5BrS/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=NTBWCBMRARLICB-UHFFFAOYSA-N176.8Ex 176.76(BP est) -6.72(MP est) ----(BP exp) ----(MP exp) SC(Br)(C1)(C=C1) -6.7PredN
BrC(C)C1=CS18529165.048C4H5BrS2-(1-bromoethyl)thiireneN116BrC(C)C1=CS1InChI=1S/C4H5BrS/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=XZUOVDZMCRSCGP-UHFFFAOYSA-N162.5Ex 162.49(BP est) 0.30(MP est) ----(BP exp) ----(MP exp) BrC(C)C1=CS1 0.3PredN
BrC(C1CS1)=C8530165.048C4H5BrS2-(1-bromovinyl)thiiraneN116BrC(C1CS1)=CInChI=1S/C4H5BrS/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=ZLWRASMTMMKDBA-UHFFFAOYSA-N160.8Ex 160.76(BP est) -9.32(MP est) ----(BP exp) ----(MP exp) BrC(C1CS1)=C -9.3PredN
BrCCC1=CS18531165.048C4H5BrS2-(2-bromoethyl)thiireneN116BrCCC1=CS1InChI=1S/C4H5BrS/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=KHEUFNWBZAJWDN-UHFFFAOYSA-N175.3Ex 175.31(BP est) 11.55(MP est) ----(BP exp) ----(MP exp) BrCCC1=CS1 11.6PredN
BrC=CC1CS18532165.048C4H5BrS2-(2-bromovinyl)thiiraneN116BrC=CC1CS1InChI=1S/C4H5BrS/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=AIAPEBDYXGGECV-UHFFFAOYSA-N174.7Ex 174.74(BP est) 0.08(MP est) ----(BP exp) ----(MP exp) BrC=CC1CS1 0.1PredN
CC(S1)=C1CBr8533165.048C4H5BrS2-(bromomethyl)-3-methylthiireneN116CC(S1)=C1CBrInChI=1S/C4H5BrS/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=GKOUXCIWYAIGLW-UHFFFAOYSA-N173.5Ex 173.50(BP est) 17.28(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1CBr 17.3PredN
BrC1C2(CC2)S18534165.048C4H5BrS2-bromo-1-thiaspiro[2.2]pentaneN116BrC1C2(CC2)S1InChI=1S/C4H5BrS/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=DUPMTOLAFYJIIR-UHFFFAOYSA-N158.6Ex 158.56(BP est) 20.57(MP est) ----(BP exp) ----(MP exp) BrC1C2(CC2)S1 20.6PredN
BrC1(C=C)CS18535165.048C4H5BrS2-bromo-2-vinylthiiraneN116BrC1(C=C)CS1InChI=1S/C4H5BrS/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=FFNNDWPPYPWMSZ-UHFFFAOYSA-N155.2Ex 155.22(BP est) 7.99(MP est) ----(BP exp) ----(MP exp) BrC1(C=C)CS1 8PredN
BrC(S1)=C1CC8536165.048C4H5BrS2-bromo-3-ethylthiireneN116BrC(S1)=C1CCInChI=1S/C4H5BrS/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=BYYFZWWJALAGMZ-UHFFFAOYSA-N173.5Ex 173.50(BP est) 17.28(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1CC 17.3PredN
BrC1C(C=C)S18537165.048C4H5BrS2-bromo-3-vinylthiiraneN116BrC1C(C=C)S1InChI=1S/C4H5BrS/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=CENGJAGNUGTWHW-UHFFFAOYSA-N160.4Ex 160.39(BP est) -4.57(MP est) ----(BP exp) ----(MP exp) BrC1C(C=C)S1 -4.6PredN
BrC1CC2C1S28538165.048C4H5BrS2-bromo-5-thiabicyclo[2.1.0]pentaneN116BrC1CC2C1S2InChI=1S/C4H5BrS/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=YLGBNHAQKZLXGY-UHFFFAOYSA-N163.7Ex 163.70(BP est) 8.00(MP est) ----(BP exp) ----(MP exp) BrC1CC2C1S2 8PredN
SC(C(Br)C#C)8539165.048C4H5BrS2-bromobut-3-yne-1-thiolN116SC(C(Br)C#C)InChI=1S/C4H5BrS/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=WNERAEWFVWCIHG-UHFFFAOYSA-N174.3Ex 174.30(BP est) -10.99(MP est) ----(BP exp) ----(MP exp) SC(C(Br)C#C) -11PredN
SC(Br)(C)(C#C)8540165.048C4H5BrS2-bromobut-3-yne-2-thiolN116SC(Br)(C)(C#C)InChI=1S/C4H5BrS/c1-3-4(2,5)6/h1,6H,2H3InChIKey=UBJNUXNSTFPTQI-UHFFFAOYSA-N165.9Ex 165.88(BP est) -4.74(MP est) ----(BP exp) ----(MP exp) SC(Br)(C)(C#C) -4.7PredN
SC(C1)(C(Br)=C1)8541165.048C4H5BrS2-bromocyclobut-2-ene-1-thiolN116SC(C1)(C(Br)=C1)InChI=1S/C4H5BrS/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=RDPJWOSJZXPJBP-UHFFFAOYSA-N185.9Ex 185.92(BP est) -9.73(MP est) ----(BP exp) ----(MP exp) SC(C1)(C(Br)=C1) -9.7PredN
SC(C1)(C=C1Br)8542165.048C4H5BrS3-bromocyclobut-2-ene-1-thiolN116SC(C1)(C=C1Br)InChI=1S/C4H5BrS/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=XYDADMMARIUTTA-UHFFFAOYSA-N185.9Ex 185.92(BP est) -9.73(MP est) ----(BP exp) ----(MP exp) SC(C1)(C=C1Br) -9.7PredN
BrC1C2(C1)CS28543165.048C4H5BrS4-bromo-1-thiaspiro[2.2]pentaneN116BrC1C2(C1)CS2InChI=1S/C4H5BrS/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=IZZBERYUYBEDPS-UHFFFAOYSA-N158.6Ex 158.56(BP est) 20.57(MP est) ----(BP exp) ----(MP exp) BrC1C2(C1)CS2 20.6PredN
SC(CC#CBr)8544165.048C4H5BrS4-bromobut-3-yne-1-thiolN116SC(CC#CBr)InChI=1S/C4H5BrS/c5-3-1-2-4-6/h6H,2,4H2InChIKey=LSCHIESKUZTHTK-UHFFFAOYSA-N194.4Ex 194.41(BP est) 21.25(MP est) ----(BP exp) ----(MP exp) SC(CC#CBr) 21.3PredN
SC(C)(C#CBr)8545165.048C4H5BrS4-bromobut-3-yne-2-thiolN116SC(C)(C#CBr)InChI=1S/C4H5BrS/c1-4(6)2-3-5/h4,6H,1H3InChIKey=DZZKFNVVRKPYNG-UHFFFAOYSA-N182.1Ex 182.09(BP est) 20.85(MP est) ----(BP exp) ----(MP exp) SC(C)(C#CBr) 20.9PredN
SC(C1Br)(C=C1)8546165.048C4H5BrS4-bromocyclobut-2-ene-1-thiolN116SC(C1Br)(C=C1)InChI=1S/C4H5BrS/c5-3-1-2-4(3)6/h1-4,6HInChIKey=RFXOKNVDIGLIFP-UHFFFAOYSA-N181.7Ex 181.71(BP est) -19.34(MP est) ----(BP exp) ----(MP exp) SC(C1Br)(C=C1) -19.3PredN
C[Si]1(CC1)CBr8547165.105C4H9BrSi1-(bromomethyl)-1-methylsiliraneN156C[Si]1(CC1)CBrInChI=1S/C4H9BrSi/c1-6(4-5)2-3-6/h2-4H2,1H3InChIKey=JCYGFCQCYHMROV-UHFFFAOYSA-N96.3Ex 96.25(BP est) -10.72(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1)CBr -10.7PredN
C[Si]1(CC1Br)C8548165.105C4H9BrSi2-bromo-1,1-dimethylsiliraneN156C[Si]1(CC1Br)CInChI=1S/C4H9BrSi/c1-6(2)3-4(6)5/h4H,3H2,1-2H3InChIKey=JBGBJMSZEZWDNU-UHFFFAOYSA-N89.2Ex 89.21(BP est) -14.89(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1Br)C -14.9PredN
O=PC(Cl)(Cl)Cl8550165.334CCl3OPoxo(trichloromethyl)phosphaneN66O=PC(Cl)(Cl)ClInChI=1S/CCl3OP/c2-1(3,4)6-5InChIKey=RDQCXMUEJJIHQT-UHFFFAOYSA-N149.0Ex 149.04(BP est) -20.11(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)(Cl)Cl -20.1PredN
C(Br)(Cl)(F)(F)8552165.362CBrClF2bromochlorodifluoromethaneN55C(Br)(Cl)(F)(F)InChI=1S/CBrClF2/c2-1(3,4)5InChIKey=MEXUFEQDCXZEON-UHFFFAOYSA-N-3.9Ex 46.71(BP est) -82.60(MP est) -3.70(BP exp) -159.50(MP exp) C(Br)(Cl)(F)(F) -159.5ExptN
ClC(CCl)(P)Cl8553165.378C2H4Cl3P(1,1,2-trichloroethyl)phosphaneN106ClC(CCl)(P)ClInChI=1S/C2H4Cl3P/c3-1-2(4,5)6/h1,6H2InChIKey=FNVBZKTVGVHCLM-UHFFFAOYSA-N151.3Ex 151.32(BP est) -31.31(MP est) ----(BP exp) ----(MP exp) ClC(CCl)(P)Cl -31.3PredN
ClC(P)C(Cl)Cl8554165.378C2H4Cl3P(1,2,2-trichloroethyl)phosphaneN106ClC(P)C(Cl)ClInChI=1S/C2H4Cl3P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=KEBHUJWXEQPBTP-UHFFFAOYSA-N158.7Ex 158.66(BP est) -45.37(MP est) ----(BP exp) ----(MP exp) ClC(P)C(Cl)Cl -45.4PredN
ClC(Cl)(Cl)CP8555165.378C2H4Cl3P(2,2,2-trichloroethyl)phosphaneN106ClC(Cl)(Cl)CPInChI=1S/C2H4Cl3P/c3-2(4,5)1-6/h1,6H2InChIKey=OSSMJQGXYASWSA-UHFFFAOYSA-N126.8Ex 126.79(BP est) -38.47(MP est) ----(BP exp) ----(MP exp) ClC(Cl)(Cl)CP -38.5PredN
ClCPC(Cl)Cl8556165.378C2H4Cl3P(chloromethyl)(dichloromethyl)phosphaneN106ClCPC(Cl)ClInChI=1S/C2H4Cl3P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=RQXNHGMXQFUOHZ-UHFFFAOYSA-N164.9Ex 164.91(BP est) -44.24(MP est) ----(BP exp) ----(MP exp) ClCPC(Cl)Cl -44.2PredN
CPC(Cl)(Cl)Cl8557165.378C2H4Cl3Pmethyl(trichloromethyl)phosphaneN106CPC(Cl)(Cl)ClInChI=1S/C2H4Cl3P/c1-6-2(3,4)5/h6H,1H3InChIKey=BWSRZTAXFGZVDP-UHFFFAOYSA-N106.7Ex 106.70(BP est) -52.52(MP est) ----(BP exp) ----(MP exp) CPC(Cl)(Cl)Cl -52.5PredN
BrC(Cl)=CC#C8558165.414C4H2BrCl1-bromo-1-chlorobut-1-en-3-yneN86BrC(Cl)=CC#CInChI=1S/C4H2BrCl/c1-2-3-4(5)6/h1,3HInChIKey=FPMPJWXITGROGI-UHFFFAOYSA-N145.5Ex 145.53(BP est) -24.68(MP est) ----(BP exp) ----(MP exp) BrC(Cl)=CC#C -24.7PredN
BrC=C(C#C)Cl8559165.414C4H2BrCl1-bromo-2-chlorobut-1-en-3-yneN86BrC=C(C#C)ClInChI=1S/C4H2BrCl/c1-2-4(6)3-5/h1,3HInChIKey=QLPCBMDQGDETFW-UHFFFAOYSA-N145.5Ex 145.53(BP est) -24.68(MP est) ----(BP exp) ----(MP exp) BrC=C(C#C)Cl -24.7PredN
BrC=CC#CCl8560165.414C4H2BrCl1-bromo-4-chlorobut-1-en-3-yneN86BrC=CC#CClInChI=1S/C4H2BrCl/c5-3-1-2-4-6/h1,3HInChIKey=PQYJBKMBBNEMFJ-UHFFFAOYSA-N159.7Ex 159.72(BP est) 16.01(MP est) ----(BP exp) ----(MP exp) BrC=CC#CCl 16PredN
ClC=C(C#C)Br8561165.414C4H2BrCl2-bromo-1-chlorobut-1-en-3-yneN86ClC=C(C#C)BrInChI=1S/C4H2BrCl/c1-2-4(5)3-6/h1,3HInChIKey=AHTXEGCPGNNWBC-UHFFFAOYSA-N145.5Ex 145.53(BP est) -24.68(MP est) ----(BP exp) ----(MP exp) ClC=C(C#C)Br -24.7PredN
C=C(C#CCl)Br8562165.414C4H2BrCl2-bromo-4-chlorobut-1-en-3-yneN86C=C(C#CCl)BrInChI=1S/C4H2BrCl/c1-4(5)2-3-6/h1H2InChIKey=GZTQZHRRUFAZOL-UHFFFAOYSA-N145.3Ex 145.32(BP est) 6.49(MP est) ----(BP exp) ----(MP exp) C=C(C#CCl)Br 6.5PredN
ClC=CC#CBr8563165.414C4H2BrCl4-bromo-1-chlorobut-1-en-3-yneN86ClC=CC#CBrInChI=1S/C4H2BrCl/c5-3-1-2-4-6/h2,4HInChIKey=IKGQGJOUILBLLU-UHFFFAOYSA-N159.7Ex 159.72(BP est) 16.01(MP est) ----(BP exp) ----(MP exp) ClC=CC#CBr 16PredN
C=C(C#CBr)Cl8564165.414C4H2BrCl4-bromo-2-chlorobut-1-en-3-yneN86C=C(C#CBr)ClInChI=1S/C4H2BrCl/c1-4(6)2-3-5/h1H2InChIKey=XMRARCLCURGTAP-UHFFFAOYSA-N145.3Ex 145.32(BP est) 6.49(MP est) ----(BP exp) ----(MP exp) C=C(C#CBr)Cl 6.5PredN
C(Cl)SC(Cl)(Cl)8565165.456C2H3Cl3S(chloromethyl)(dichloromethyl)sulfaneN96C(Cl)SC(Cl)(Cl)InChI=1S/C2H3Cl3S/c3-1-6-2(4)5/h2H,1H2InChIKey=BTRWGGXMWPNLGA-UHFFFAOYSA-N189.8Ex 189.84(BP est) -27.26(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Cl)(Cl) -27.3PredN
SC(Cl)(Cl)(CCl)8566165.456C2H3Cl3S1,1,2-trichloroethane-1-thiolN96SC(Cl)(Cl)(CCl)InChI=1S/C2H3Cl3S/c3-1-2(4,5)6/h6H,1H2InChIKey=CEEQNTXOXQPWDC-UHFFFAOYSA-N171.5Ex 171.46(BP est) -22.88(MP est) ----(BP exp) ----(MP exp) SC(Cl)(Cl)(CCl) -22.9PredN
SC(Cl)(C(Cl)Cl)8567165.456C2H3Cl3S1,2,2-trichloroethane-1-thiolN96SC(Cl)(C(Cl)Cl)InChI=1S/C2H3Cl3S/c3-1(4)2(5)6/h1-2,6HInChIKey=LESCRSAMHYNTGW-UHFFFAOYSA-N178.5Ex 178.53(BP est) -37.03(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(Cl)Cl) -37PredN
SCC(Cl)(Cl)Cl8568165.456C2H3Cl3S2,2,2-trichloroethane-1-thiolN96SCC(Cl)(Cl)ClInChI=1S/C2H3Cl3S/c3-2(4,5)1-6/h6H,1H2InChIKey=CCAJXRHFAZCMRI-UHFFFAOYSA-N147.9Ex 147.85(BP est) -29.78(MP est) ----(BP exp) ----(MP exp) SCC(Cl)(Cl)Cl -29.8PredN
CSC(Cl)(Cl)Cl8569165.456C2H3Cl3Smethyl(trichloromethyl)sulfaneN96CSC(Cl)(Cl)ClInChI=1S/C2H3Cl3S/c1-6-2(3,4)5/h1H3InChIKey=SNYMEOFTIKCHCE-UHFFFAOYSA-N146.0Ex 134.40(BP est) -34.73(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(Cl)Cl -34.7PredN
ClC(Cl)=C(Cl)Cl8571165.822C2Cl4perchloroetheneN66ClC(Cl)=C(Cl)ClInChI=1S/C2Cl4/c3-1(4)2(5)6InChIKey=CYTYCFOTNPOANT-UHFFFAOYSA-N121.0Ex 114.28(BP est) -60.56(MP est) 121.30(BP exp) -22.30(MP exp) ClC(Cl)=C(Cl)Cl -22.3ExptY(Nightingale et al. 1995)
IC1=CC18572165.961C3H3I1-iodocycloprop-1-eneN74IC1=CC1InChI=1S/C3H3I/c4-3-1-2-3/h1H,2H2InChIKey=SYJPZNBPKOECKO-UHFFFAOYSA-N124.7Ex 124.71(BP est) -48.46(MP est) ----(BP exp) ----(MP exp) IC1=CC1 -48.5PredN
CC#CI8573165.961C3H3I1-iodoprop-1-yneN74CC#CIInChI=1S/C3H3I/c1-2-3-4/h1H3InChIKey=JHUPGXNKUPOSIE-UHFFFAOYSA-N129.7Ex 129.73(BP est) -11.67(MP est) ----(BP exp) ----(MP exp) CC#CI -11.7PredN
IC1C=C18574165.961C3H3I3-iodocycloprop-1-eneN74IC1C=C1InChI=1S/C3H3I/c4-3-1-2-3/h1-3HInChIKey=OYZGMVBMLLGJSV-UHFFFAOYSA-N120.0Ex 119.98(BP est) -58.22(MP est) ----(BP exp) ----(MP exp) IC1C=C1 -58.2PredN
ICC#C8575165.961C3H3I3-iodoprop-1-yneN74ICC#CInChI=1S/C3H3I/c1-2-3-4/h1H,3H2InChIKey=WGCICQJXVYFFCA-UHFFFAOYSA-N115.0Ex 121.13(BP est) -43.75(MP est) 115.00(BP exp) ----(MP exp) ICC#C -43.8PredN
O=PC(Br)C=C8589166.942C3H4BrOP(1-bromoallyl)(oxo)phosphaneN106O=PC(Br)C=CInChI=1S/C3H4BrOP/c1-2-3(4)6-5/h2-3H,1H2InChIKey=SPIXVTNGJWDZKC-UHFFFAOYSA-N166.4Ex 166.40(BP est) -28.34(MP est) ----(BP exp) ----(MP exp) O=PC(Br)C=C -28.3PredN
O=PCC(Br)=C8591166.942C3H4BrOP(2-bromoallyl)(oxo)phosphaneN106O=PCC(Br)=CInChI=1S/C3H4BrOP/c1-3(4)2-6-5/h1-2H2InChIKey=DOMAJDIIPAPBGF-UHFFFAOYSA-N173.4Ex 173.41(BP est) -25.77(MP est) ----(BP exp) ----(MP exp) O=PCC(Br)=C -25.8PredN
O=PCC=CBr8592166.942C3H4BrOP(3-bromoallyl)(oxo)phosphaneN106O=PCC=CBrInChI=1S/C3H4BrOP/c4-2-1-3-6-5/h1-2H,3H2InChIKey=KXMULVRAOGWWMY-UHFFFAOYSA-N187.0Ex 187.04(BP est) -16.48(MP est) ----(BP exp) ----(MP exp) O=PCC=CBr -16.5PredN
BrC#CPOC8595166.942C3H4BrOP(bromoethynyl)(methoxy)phosphaneN106BrC#CPOCInChI=1S/C3H4BrOP/c1-5-6-3-2-4/h6H,1H3InChIKey=QWQOZFZLNNNNGV-UHFFFAOYSA-N157.7Ex 157.66(BP est) 15.97(MP est) ----(BP exp) ----(MP exp) BrC#CPOC 16PredN
O=P(C)C#CBr8596166.942C3H4BrOP(bromoethynyl)(methyl)phosphine oxideN106O=P(C)C#CBrInChI=1S/C3H4BrOP/c1-6(5)3-2-4/h6H,1H3InChIKey=XQAVNVXHJCCZCQ-UHFFFAOYSA-N193.6Ex 193.62(BP est) 21.70(MP est) ----(BP exp) ----(MP exp) O=P(C)C#CBr 21.7PredN
O=P(CBr)C#C8598166.942C3H4BrOP(bromomethyl)(ethynyl)phosphine oxideN106O=P(CBr)C#CInChI=1S/C3H4BrOP/c1-2-6(5)3-4/h1,6H,3H2InChIKey=QHXBAYFBDYICTF-UHFFFAOYSA-N186.0Ex 186.02(BP est) 1.07(MP est) ----(BP exp) ----(MP exp) O=P(CBr)C#C 1.1PredN
O=P1C=CC1Br8599166.942C3H4BrOP2-bromo-2H-phosphete 1-oxideN106O=P1C=CC1BrInChI=1S/C3H4BrOP/c4-3-1-2-6(3)5/h1-3,6HInChIKey=UVQMCQQXGXRQOL-UHFFFAOYSA-N185.0Ex 185.00(BP est) -13.36(MP est) ----(BP exp) ----(MP exp) O=P1C=CC1Br -13.4PredN
O=P1C=C(Br)C18601166.942C3H4BrOP3-bromo-2H-phosphete 1-oxideN106O=P1C=C(Br)C1InChI=1S/C3H4BrOP/c4-3-1-6(5)2-3/h1,6H,2H2InChIKey=MHGISPFKKBLCLX-UHFFFAOYSA-N189.2Ex 189.18(BP est) -3.76(MP est) ----(BP exp) ----(MP exp) O=P1C=C(Br)C1 -3.8PredN
O=P1C(Br)=CC18603166.942C3H4BrOP4-bromo-2H-phosphete 1-oxideN106O=P1C(Br)=CC1InChI=1S/C3H4BrOP/c4-3-1-2-6(3)5/h1,6H,2H2InChIKey=UTDYNMVWEXAXKC-UHFFFAOYSA-N189.2Ex 189.18(BP est) -3.76(MP est) ----(BP exp) ----(MP exp) O=P1C(Br)=CC1 -3.8PredN
IC1=CN18605166.949C2H2IN2-iodo-1H-azirineN64IC1=CN1InChI=1S/C2H2IN/c3-2-1-4-2/h1,4HInChIKey=UTMNYFZMGFHNPO-UHFFFAOYSA-N160.8Ex 160.75(BP est) 8.94(MP est) ----(BP exp) ----(MP exp) IC1=CN1 8.9PredN
BrC1(CP)CC18606166.986C4H8BrP((1-bromocyclopropyl)methyl)phosphaneN146BrC1(CP)CC1InChI=1S/C4H8BrP/c5-4(3-6)1-2-4/h1-3,6H2InChIKey=LDNCBIVTYKXQBE-UHFFFAOYSA-N152.0Ex 151.95(BP est) -15.13(MP est) ----(BP exp) ----(MP exp) BrC1(CP)CC1 -15.1PredN
BrC1C(CP)C18607166.986C4H8BrP((2-bromocyclopropyl)methyl)phosphaneN146BrC1C(CP)C1InChI=1S/C4H8BrP/c5-4-1-3(4)2-6/h3-4H,1-2,6H2InChIKey=KXUMCHRWKJTDFP-UHFFFAOYSA-N157.2Ex 157.15(BP est) -27.68(MP est) ----(BP exp) ----(MP exp) BrC1C(CP)C1 -27.7PredN
BrCC1(P)CC18608166.986C4H8BrP(1-(bromomethyl)cyclopropyl)phosphaneN146BrCC1(P)CC1InChI=1S/C4H8BrP/c5-3-4(6)1-2-4/h1-3,6H2InChIKey=AMBQWVNFRICCSK-UHFFFAOYSA-N152.0Ex 151.95(BP est) -15.13(MP est) ----(BP exp) ----(MP exp) BrCC1(P)CC1 -15.1PredN
CPC(C=C)Br8609166.986C4H8BrP(1-bromoallyl)(methyl)phosphaneN146CPC(C=C)BrInChI=1S/C4H8BrP/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=PRQGLYDYXQCQSW-UHFFFAOYSA-N125.4Ex 125.39(BP est) -60.36(MP est) ----(BP exp) ----(MP exp) CPC(C=C)Br -60.4PredN
BrC(P)CC=C8610166.986C4H8BrP(1-bromobut-3-en-1-yl)phosphaneN146BrC(P)CC=CInChI=1S/C4H8BrP/c1-2-3-4(5)6/h2,4H,1,3,6H2InChIKey=PFOQQWDHBCKJTF-UHFFFAOYSA-N144.9Ex 144.86(BP est) -46.49(MP est) ----(BP exp) ----(MP exp) BrC(P)CC=C -46.5PredN
BrCC(P)C=C8611166.986C4H8BrP(1-bromobut-3-en-2-yl)phosphaneN146BrCC(P)C=CInChI=1S/C4H8BrP/c1-2-4(6)3-5/h2,4H,1,3,6H2InChIKey=JDKVFGMXAICHPE-UHFFFAOYSA-N144.9Ex 144.86(BP est) -46.49(MP est) ----(BP exp) ----(MP exp) BrCC(P)C=C -46.5PredN
BrC1(P)CCC18612166.986C4H8BrP(1-bromocyclobutyl)phosphaneN146BrC1(P)CCC1InChI=1S/C4H8BrP/c5-4(6)2-1-3-4/h1-3,6H2InChIKey=JFSOTNHBXZZFJB-UHFFFAOYSA-N154.0Ex 153.96(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) BrC1(P)CCC1 -16.3PredN
CPC1(CC1)Br8613166.986C4H8BrP(1-bromocyclopropyl)(methyl)phosphaneN146CPC1(CC1)BrInChI=1S/C4H8BrP/c1-6-4(5)2-3-4/h6H,2-3H2,1H3InChIKey=ONLHXFYQJYUTJL-UHFFFAOYSA-N132.7Ex 132.72(BP est) -28.92(MP est) ----(BP exp) ----(MP exp) CPC1(CC1)Br -28.9PredN
BrC(PC=C)C8614166.986C4H8BrP(1-bromoethyl)(vinyl)phosphaneN146BrC(PC=C)CInChI=1S/C4H8BrP/c1-3-6-4(2)5/h3-4,6H,1H2,2H3InChIKey=DXJSMGJNZMFTEK-UHFFFAOYSA-N125.4Ex 125.39(BP est) -60.36(MP est) ----(BP exp) ----(MP exp) BrC(PC=C)C -60.4PredN
CCPC(Br)=C8615166.986C4H8BrP(1-bromovinyl)(ethyl)phosphaneN146CCPC(Br)=CInChI=1S/C4H8BrP/c1-3-6-4(2)5/h6H,2-3H2,1H3InChIKey=OPUBCTGOMRSWJW-UHFFFAOYSA-N133.0Ex 132.95(BP est) -57.64(MP est) ----(BP exp) ----(MP exp) CCPC(Br)=C -57.6PredN
CP(C)C(Br)=C8616166.986C4H8BrP(1-bromovinyl)dimethylphosphaneN146CP(C)C(Br)=CInChI=1S/C4H8BrP/c1-4(5)6(2)3/h1H2,2-3H3InChIKey=KHOUXFTUHBYXJE-UHFFFAOYSA-N133.9Ex 133.86(BP est) -58.06(MP est) ----(BP exp) ----(MP exp) CP(C)C(Br)=C -58.1PredN
CC1(P)CC1Br8617166.986C4H8BrP(2-bromo-1-methylcyclopropyl)phosphaneN146CC1(P)CC1BrInChI=1S/C4H8BrP/c1-4(6)2-3(4)5/h3H,2,6H2,1H3InChIKey=MNONYMJJJGIVGK-UHFFFAOYSA-N145.5Ex 145.53(BP est) -19.12(MP est) ----(BP exp) ----(MP exp) CC1(P)CC1Br -19.1PredN
CPCC(Br)=C8618166.986C4H8BrP(2-bromoallyl)(methyl)phosphaneN146CPCC(Br)=CInChI=1S/C4H8BrP/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=OLHZHRSNSDTFIR-UHFFFAOYSA-N133.0Ex 132.95(BP est) -57.64(MP est) ----(BP exp) ----(MP exp) CPCC(Br)=C -57.6PredN
BrC(C=C)CP8619166.986C4H8BrP(2-bromobut-3-en-1-yl)phosphaneN146BrC(C=C)CPInChI=1S/C4H8BrP/c1-2-4(5)3-6/h2,4H,1,3,6H2InChIKey=NVWJYUVXZPCFHH-UHFFFAOYSA-N144.9Ex 144.86(BP est) -46.49(MP est) ----(BP exp) ----(MP exp) BrC(C=C)CP -46.5PredN
BrC(C=C)(P)C8620166.986C4H8BrP(2-bromobut-3-en-2-yl)phosphaneN146BrC(C=C)(P)CInChI=1S/C4H8BrP/c1-3-4(2,5)6/h3H,1,6H2,2H3InChIKey=QMGWBVLQPCPOGX-UHFFFAOYSA-N136.0Ex 135.96(BP est) -40.38(MP est) ----(BP exp) ----(MP exp) BrC(C=C)(P)C -40.4PredN
BrC1C(P)CC18621166.986C4H8BrP(2-bromocyclobutyl)phosphaneN146BrC1C(P)CC1InChI=1S/C4H8BrP/c5-3-1-2-4(3)6/h3-4H,1-2,6H2InChIKey=VYAUOMGZTMMBPZ-UHFFFAOYSA-N159.1Ex 159.14(BP est) -28.86(MP est) ----(BP exp) ----(MP exp) BrC1C(P)CC1 -28.9PredN
CPC1CC1Br8622166.986C4H8BrP(2-bromocyclopropyl)(methyl)phosphaneN146CPC1CC1BrInChI=1S/C4H8BrP/c1-6-4-2-3(4)5/h3-4,6H,2H2,1H3InChIKey=ZUIRVJUDDZZUFP-UHFFFAOYSA-N138.1Ex 138.11(BP est) -41.42(MP est) ----(BP exp) ----(MP exp) CPC1CC1Br -41.4PredN
BrCCPC=C8623166.986C4H8BrP(2-bromoethyl)(vinyl)phosphaneN146BrCCPC=CInChI=1S/C4H8BrP/c1-2-6-4-3-5/h2,6H,1,3-4H2InChIKey=VWBOVSWDHIZVPH-UHFFFAOYSA-N139.1Ex 139.12(BP est) -48.85(MP est) ----(BP exp) ----(MP exp) BrCCPC=C -48.9PredN
CCPC=CBr8624166.986C4H8BrP(2-bromovinyl)(ethyl)phosphaneN146CCPC=CBrInChI=1S/C4H8BrP/c1-2-6-4-3-5/h3-4,6H,2H2,1H3InChIKey=DUXRBZYWQFKSIM-UHFFFAOYSA-N147.7Ex 147.67(BP est) -48.02(MP est) ----(BP exp) ----(MP exp) CCPC=CBr -48PredN
CP(C)C=CBr8625166.986C4H8BrP(2-bromovinyl)dimethylphosphaneN146CP(C)C=CBrInChI=1S/C4H8BrP/c1-6(2)4-3-5/h3-4H,1-2H3InChIKey=HIEYPKAFBDPTMV-UHFFFAOYSA-N148.6Ex 148.56(BP est) -48.44(MP est) ----(BP exp) ----(MP exp) CP(C)C=CBr -48.4PredN
CPCC=CBr8626166.986C4H8BrP(3-bromoallyl)(methyl)phosphaneN146CPCC=CBrInChI=1S/C4H8BrP/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=RIMUFYZTYLUDCB-UHFFFAOYSA-N147.7Ex 147.67(BP est) -48.02(MP est) ----(BP exp) ----(MP exp) CPCC=CBr -48PredN
BrC(CCP)=C8627166.986C4H8BrP(3-bromobut-3-en-1-yl)phosphaneN146BrC(CCP)=CInChI=1S/C4H8BrP/c1-4(5)2-3-6/h1-3,6H2InChIKey=VKKVEHIQCVYZOQ-UHFFFAOYSA-N152.2Ex 152.16(BP est) -43.84(MP est) ----(BP exp) ----(MP exp) BrC(CCP)=C -43.8PredN
CC(P)C(Br)=C8628166.986C4H8BrP(3-bromobut-3-en-2-yl)phosphaneN146CC(P)C(Br)=CInChI=1S/C4H8BrP/c1-3(5)4(2)6/h4H,1,6H2,2H3InChIKey=SKZHFHMYRXFROQ-UHFFFAOYSA-N138.8Ex 138.75(BP est) -55.26(MP est) ----(BP exp) ----(MP exp) CC(P)C(Br)=C -55.3PredN
BrC1CC(P)C18629166.986C4H8BrP(3-bromocyclobutyl)phosphaneN146BrC1CC(P)C1InChI=1S/C4H8BrP/c5-3-1-4(6)2-3/h3-4H,1-2,6H2InChIKey=BLXZKNWMFDSMGC-UHFFFAOYSA-N159.1Ex 159.14(BP est) -28.86(MP est) ----(BP exp) ----(MP exp) BrC1CC(P)C1 -28.9PredN
CC(P)C=CBr8630166.986C4H8BrP(4-bromobut-3-en-2-yl)phosphaneN146CC(P)C=CBrInChI=1S/C4H8BrP/c1-4(6)2-3-5/h2-4H,6H2,1H3InChIKey=OVZZCJQIYZKHCV-UHFFFAOYSA-N153.3Ex 153.32(BP est) -45.68(MP est) ----(BP exp) ----(MP exp) CC(P)C=CBr -45.7PredN
BrC(P)C1CC18631166.986C4H8BrP(bromo(cyclopropyl)methyl)phosphaneN146BrC(P)C1CC1InChI=1S/C4H8BrP/c5-4(6)3-1-2-3/h3-4H,1-2,6H2InChIKey=QWKOTTOAQKXXRV-UHFFFAOYSA-N150.3Ex 150.29(BP est) -35.06(MP est) ----(BP exp) ----(MP exp) BrC(P)C1CC1 -35.1PredN
BrCPC1CC18632166.986C4H8BrP(bromomethyl)(cyclopropyl)phosphaneN146BrCPC1CC1InChI=1S/C4H8BrP/c5-3-6-4-1-2-4/h4,6H,1-3H2InChIKey=OGWDHQMNPZGRCC-UHFFFAOYSA-N144.6Ex 144.61(BP est) -37.40(MP est) ----(BP exp) ----(MP exp) BrCPC1CC1 -37.4PredN
CP(CBr)C=C8633166.986C4H8BrP(bromomethyl)(methyl)(vinyl)phosphaneN146CP(CBr)C=CInChI=1S/C4H8BrP/c1-3-6(2)4-5/h3H,1,4H2,2H3InChIKey=UQNRBCUYDMPOFW-UHFFFAOYSA-N140.0Ex 140.02(BP est) -49.28(MP est) ----(BP exp) ----(MP exp) CP(CBr)C=C -49.3PredN
BrC(P1CC1)C8634166.986C4H8BrP1-(1-bromoethyl)phosphiraneN146BrC(P1CC1)CInChI=1S/C4H8BrP/c1-4(5)6-2-3-6/h4H,2-3H2,1H3InChIKey=HFTKVASGEIGGLO-UHFFFAOYSA-N136.4Ex 136.42(BP est) -44.10(MP est) ----(BP exp) ----(MP exp) BrC(P1CC1)C -44.1PredN
BrCCP1CC18635166.986C4H8BrP1-(2-bromoethyl)phosphiraneN146BrCCP1CC1InChI=1S/C4H8BrP/c5-1-2-6-3-4-6/h1-4H2InChIKey=YCINPFLKAZKYJC-UHFFFAOYSA-N149.9Ex 149.89(BP est) -32.67(MP est) ----(BP exp) ----(MP exp) BrCCP1CC1 -32.7PredN
BrCP1CCC18636166.986C4H8BrP1-(bromomethyl)phosphetaneN146BrCP1CCC1InChI=1S/C4H8BrP/c5-4-6-2-1-3-6/h1-4H2InChIKey=JKVACHGPSFHFSE-UHFFFAOYSA-N151.9Ex 151.91(BP est) -33.84(MP est) ----(BP exp) ----(MP exp) BrCP1CCC1 -33.8PredN
BrC1CP1CC8637166.986C4H8BrP2-bromo-1-ethylphosphiraneN146BrC1CP1CCInChI=1S/C4H8BrP/c1-2-6-3-4(6)5/h4H,2-3H2,1H3InChIKey=POANDRGCOHOKFT-UHFFFAOYSA-N143.5Ex 143.46(BP est) -36.66(MP est) ----(BP exp) ----(MP exp) BrC1CP1CC -36.7PredN
CP1C(Br)CC18638166.986C4H8BrP2-bromo-1-methylphosphetaneN146CP1C(Br)CC1InChI=1S/C4H8BrP/c1-6-3-2-4(6)5/h4H,2-3H2,1H3InChIKey=IHYQLEMKPFVTRE-UHFFFAOYSA-N145.5Ex 145.50(BP est) -37.83(MP est) ----(BP exp) ----(MP exp) CP1C(Br)CC1 -37.8PredN
BrC1PCCC18639166.986C4H8BrP2-bromophospholaneN146BrC1PCCC1InChI=1S/C4H8BrP/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=GDFXXADUWIQOEA-UHFFFAOYSA-N146.7Ex 146.65(BP est) -38.57(MP est) ----(BP exp) ----(MP exp) BrC1PCCC1 -38.6PredN
CP1CC(Br)C18640166.986C4H8BrP3-bromo-1-methylphosphetaneN146CP1CC(Br)C1InChI=1S/C4H8BrP/c1-6-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=PFFYIYVSIGFQNE-UHFFFAOYSA-N145.5Ex 145.50(BP est) -37.83(MP est) ----(BP exp) ----(MP exp) CP1CC(Br)C1 -37.8PredN
BrC1CCPC18641166.986C4H8BrP3-bromophospholaneN146BrC1CCPC1InChI=1S/C4H8BrP/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=QGSBYHAPRLQRQC-UHFFFAOYSA-N146.7Ex 146.65(BP est) -38.57(MP est) ----(BP exp) ----(MP exp) BrC1CCPC1 -38.6PredN
BrCPCC=C8642166.986C4H8BrPallyl(bromomethyl)phosphaneN146BrCPCC=CInChI=1S/C4H8BrP/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=OPQWJVNDOFYUIE-UHFFFAOYSA-N139.1Ex 139.12(BP est) -48.85(MP est) ----(BP exp) ----(MP exp) BrCPCC=C -48.9PredN
CSC(C=C)Br8643167.064C4H7BrS(1-bromoallyl)(methyl)sulfaneN136CSC(C=C)BrInChI=1S/C4H7BrS/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=IYHFMYYORAKMGU-UHFFFAOYSA-N152.2Ex 152.24(BP est) -42.83(MP est) ----(BP exp) ----(MP exp) CSC(C=C)Br -42.8PredN
CSC1(CC1)Br8644167.064C4H7BrS(1-bromocyclopropyl)(methyl)sulfaneN136CSC1(CC1)BrInChI=1S/C4H7BrS/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=KTCFEIVZJFSOHA-UHFFFAOYSA-N159.2Ex 159.22(BP est) -11.49(MP est) ----(BP exp) ----(MP exp) CSC1(CC1)Br -11.5PredN
SCC(Br)(C1)(C1)8645167.064C4H7BrS(1-bromocyclopropyl)methanethiolN136SCC(Br)(C1)(C1)InChI=1S/C4H7BrS/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=OBDSPZUSVVTOIV-UHFFFAOYSA-N172.1Ex 172.07(BP est) -6.71(MP est) ----(BP exp) ----(MP exp) SCC(Br)(C1)(C1) -6.7PredN
BrC(SC=C)C8646167.064C4H7BrS(1-bromoethyl)(vinyl)sulfaneN136BrC(SC=C)CInChI=1S/C4H7BrS/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=CHXLOVSBTUSMKY-UHFFFAOYSA-N152.2Ex 152.24(BP est) -42.83(MP est) ----(BP exp) ----(MP exp) BrC(SC=C)C -42.8PredN
CSC(Br)=C(C)8647167.064C4H7BrS(1-bromoprop-1-en-1-yl)(methyl)sulfaneN136CSC(Br)=C(C)InChI=1S/C4H7BrS/c1-3-4(5)6-2/h3H,1-2H3InChIKey=BZXPSFQAJXBMBP-UHFFFAOYSA-N167.7Ex 167.66(BP est) -39.46(MP est) ----(BP exp) ----(MP exp) CSC(Br)=C(C) -39.5PredN
CSC(C)=C(Br)8648167.064C4H7BrS(1-bromoprop-1-en-2-yl)(methyl)sulfaneN136CSC(C)=C(Br)InChI=1S/C4H7BrS/c1-4(3-5)6-2/h3H,1-2H3InChIKey=PIUBPZUFDQQVDL-UHFFFAOYSA-N167.7Ex 167.66(BP est) -39.46(MP est) ----(BP exp) ----(MP exp) CSC(C)=C(Br) -39.5PredN
CCSC(Br)=C8649167.064C4H7BrS(1-bromovinyl)(ethyl)sulfaneN136CCSC(Br)=CInChI=1S/C4H7BrS/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=SDFDIAHWFNOZFD-UHFFFAOYSA-N159.4Ex 159.44(BP est) -40.20(MP est) ----(BP exp) ----(MP exp) CCSC(Br)=C -40.2PredN
CSCC(Br)=C8650167.064C4H7BrS(2-bromoallyl)(methyl)sulfaneN136CSCC(Br)=CInChI=1S/C4H7BrS/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=DOMDZDDXOLJLFW-UHFFFAOYSA-N159.4Ex 159.44(BP est) -40.20(MP est) ----(BP exp) ----(MP exp) CSCC(Br)=C -40.2PredN
CSC(C1)(C1Br)8651167.064C4H7BrS(2-bromocyclopropyl)(methyl)sulfaneN136CSC(C1)(C1Br)InChI=1S/C4H7BrS/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=SWFROUUJXGSVBH-UHFFFAOYSA-N164.4Ex 164.35(BP est) -24.06(MP est) ----(BP exp) ----(MP exp) CSC(C1)(C1Br) -24.1PredN
SCC(C1)(C1Br)8652167.064C4H7BrS(2-bromocyclopropyl)methanethiolN136SCC(C1)(C1Br)InChI=1S/C4H7BrS/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=ZNZPHHYYVFWSKL-UHFFFAOYSA-N177.1Ex 177.07(BP est) -19.32(MP est) ----(BP exp) ----(MP exp) SCC(C1)(C1Br) -19.3PredN
C(CBr)SC=C8653167.064C4H7BrS(2-bromoethyl)(vinyl)sulfaneN136C(CBr)SC=CInChI=1S/C4H7BrS/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=KTBIRSVBKFOCQR-UHFFFAOYSA-N165.3Ex 165.32(BP est) -31.51(MP est) ----(BP exp) ----(MP exp) C(CBr)SC=C -31.5PredN
CSC=C(Br)(C)8654167.064C4H7BrS(2-bromoprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(Br)(C)InChI=1S/C4H7BrS/c1-4(5)3-6-2/h3H,1-2H3InChIKey=BZFFXWUQOBFXKO-UHFFFAOYSA-N167.7Ex 167.66(BP est) -39.46(MP est) ----(BP exp) ----(MP exp) CSC=C(Br)(C) -39.5PredN
C(C)SC=C(Br)8655167.064C4H7BrS(2-bromovinyl)(ethyl)sulfaneN136C(C)SC=C(Br)InChI=1S/C4H7BrS/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=OKMFEWRDBLRJFW-UHFFFAOYSA-N173.5Ex 173.45(BP est) -30.79(MP est) ----(BP exp) ----(MP exp) C(C)SC=C(Br) -30.8PredN
CSC(C=CBr)8656167.064C4H7BrS(3-bromoallyl)(methyl)sulfaneN136CSC(C=CBr)InChI=1S/C4H7BrS/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=OVBOOTFBMWFKTK-UHFFFAOYSA-N173.5Ex 173.45(BP est) -30.79(MP est) ----(BP exp) ----(MP exp) CSC(C=CBr) -30.8PredN
CSC=C(CBr)8657167.064C4H7BrS(3-bromoprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(CBr)InChI=1S/C4H7BrS/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=KSJDHODUUTZIBV-UHFFFAOYSA-N173.5Ex 173.45(BP est) -30.79(MP est) ----(BP exp) ----(MP exp) CSC=C(CBr) -30.8PredN
CSC(CBr)=C8658167.064C4H7BrS(3-bromoprop-1-en-2-yl)(methyl)sulfaneN136CSC(CBr)=CInChI=1S/C4H7BrS/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=IINUFBLKLIAROT-UHFFFAOYSA-N159.4Ex 159.44(BP est) -40.20(MP est) ----(BP exp) ----(MP exp) CSC(CBr)=C -40.2PredN
C(Br)SC(C1)(C1)8659167.064C4H7BrS(bromomethyl)(cyclopropyl)sulfaneN136C(Br)SC(C1)(C1)InChI=1S/C4H7BrS/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=WKMYXVWNJWWSNM-UHFFFAOYSA-N170.5Ex 170.54(BP est) -20.13(MP est) ----(BP exp) ----(MP exp) C(Br)SC(C1)(C1) -20.1PredN
C(Br)SC=C(C)8660167.064C4H7BrS(bromomethyl)(prop-1-en-1-yl)sulfaneN136C(Br)SC=C(C)InChI=1S/C4H7BrS/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=HPCKZGFIRKKVIS-UHFFFAOYSA-N173.5Ex 173.45(BP est) -30.79(MP est) ----(BP exp) ----(MP exp) C(Br)SC=C(C) -30.8PredN
BrCSC(C)=C8661167.064C4H7BrS(bromomethyl)(prop-1-en-2-yl)sulfaneN136BrCSC(C)=CInChI=1S/C4H7BrS/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=GIHDUYQMJMYZGK-UHFFFAOYSA-N159.4Ex 159.44(BP est) -40.20(MP est) ----(BP exp) ----(MP exp) BrCSC(C)=C -40.2PredN
SC(CBr)(C1)(C1)8662167.064C4H7BrS1-(bromomethyl)cyclopropane-1-thiolN136SC(CBr)(C1)(C1)InChI=1S/C4H7BrS/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=MEPFLRWZIWNNPI-UHFFFAOYSA-N172.1Ex 172.07(BP est) -6.71(MP est) ----(BP exp) ----(MP exp) SC(CBr)(C1)(C1) -6.7PredN
SC(Br)(CC=C)8663167.064C4H7BrS1-bromobut-3-ene-1-thiolN136SC(Br)(CC=C)InChI=1S/C4H7BrS/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=XFNMZNJZPWGJRU-UHFFFAOYSA-N165.3Ex 165.25(BP est) -37.99(MP est) ----(BP exp) ----(MP exp) SC(Br)(CC=C) -38PredN
SC(CBr)(C=C)8664167.064C4H7BrS1-bromobut-3-ene-2-thiolN136SC(CBr)(C=C)InChI=1S/C4H7BrS/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=UCXOJCIWKLUCOR-UHFFFAOYSA-N165.3Ex 165.25(BP est) -37.99(MP est) ----(BP exp) ----(MP exp) SC(CBr)(C=C) -38PredN
SC(Br)(C1)(CC1)8665167.064C4H7BrS1-bromocyclobutane-1-thiolN136SC(Br)(C1)(CC1)InChI=1S/C4H7BrS/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=BCWNBBQPNJZIKW-UHFFFAOYSA-N174.0Ex 174.00(BP est) -7.90(MP est) ----(BP exp) ----(MP exp) SC(Br)(C1)(CC1) -7.9PredN
BrC(C)C1CS18666167.064C4H7BrS2-(1-bromoethyl)thiiraneN136BrC(C)C1CS1InChI=1S/C4H7BrS/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=CATCNPITGVIBFX-UHFFFAOYSA-N155.2Ex 155.21(BP est) -10.58(MP est) ----(BP exp) ----(MP exp) BrC(C)C1CS1 -10.6PredN
BrCCC1CS18667167.064C4H7BrS2-(2-bromoethyl)thiiraneN136BrCCC1CS1InChI=1S/C4H7BrS/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=RXDOURUYCDFWDE-UHFFFAOYSA-N168.2Ex 168.22(BP est) 0.72(MP est) ----(BP exp) ----(MP exp) BrCCC1CS1 0.7PredN
CC1(CBr)CS18668167.064C4H7BrS2-(bromomethyl)-2-methylthiiraneN136CC1(CBr)CS1InChI=1S/C4H7BrS/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=VBPDTOZVQJBPOS-UHFFFAOYSA-N156.9Ex 156.85(BP est) 9.35(MP est) ----(BP exp) ----(MP exp) CC1(CBr)CS1 9.4PredN
CC1C(CBr)S18669167.064C4H7BrS2-(bromomethyl)-3-methylthiiraneN136CC1C(CBr)S1InChI=1S/C4H7BrS/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=NYFSXLHNSZQDRR-UHFFFAOYSA-N162.0Ex 162.01(BP est) -3.22(MP est) ----(BP exp) ----(MP exp) CC1C(CBr)S1 -3.2PredN
BrCC1SCC18670167.064C4H7BrS2-(bromomethyl)thietaneN136BrCC1SCC1InChI=1S/C4H7BrS/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=ROCTVPSHRJSGIA-UHFFFAOYSA-N170.2Ex 170.17(BP est) -0.48(MP est) ----(BP exp) ----(MP exp) BrCC1SCC1 -0.5PredN
SC(C)(C1)(C1Br)8671167.064C4H7BrS2-bromo-1-methylcyclopropane-1-thiolN136SC(C)(C1)(C1Br)InChI=1S/C4H7BrS/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=PHXWOKVSVBKBIX-UHFFFAOYSA-N165.9Ex 165.90(BP est) -10.63(MP est) ----(BP exp) ----(MP exp) SC(C)(C1)(C1Br) -10.6PredN
CC1C(Br)(C)S18672167.064C4H7BrS2-bromo-2,3-dimethylthiiraneN136CC1C(Br)(C)S1InChI=1S/C4H7BrS/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=YEHDWCQKCJUUDW-UHFFFAOYSA-N150.5Ex 150.50(BP est) 5.37(MP est) ----(BP exp) ----(MP exp) CC1C(Br)(C)S1 5.4PredN
BrC1(CC)CS18673167.064C4H7BrS2-bromo-2-ethylthiiraneN136BrC1(CC)CS1InChI=1S/C4H7BrS/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=QXSMYDRXMSAGSZ-UHFFFAOYSA-N156.9Ex 156.85(BP est) 9.35(MP est) ----(BP exp) ----(MP exp) BrC1(CC)CS1 9.4PredN
BrC1(C)SCC18674167.064C4H7BrS2-bromo-2-methylthietaneN136BrC1(C)SCC1InChI=1S/C4H7BrS/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=PRBGOFCOEZUXIL-UHFFFAOYSA-N158.8Ex 158.84(BP est) 8.17(MP est) ----(BP exp) ----(MP exp) BrC1(C)SCC1 8.2PredN
BrC1C(CC)S18675167.064C4H7BrS2-bromo-3-ethylthiiraneN136BrC1C(CC)S1InChI=1S/C4H7BrS/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=LRDBXMDXKCHIGR-UHFFFAOYSA-N162.0Ex 162.01(BP est) -3.22(MP est) ----(BP exp) ----(MP exp) BrC1C(CC)S1 -3.2PredN
BrC1SCC1C8676167.064C4H7BrS2-bromo-3-methylthietaneN136BrC1SCC1CInChI=1S/C4H7BrS/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=QERTXXONBPMWMZ-UHFFFAOYSA-N164.0Ex 163.98(BP est) -4.40(MP est) ----(BP exp) ----(MP exp) BrC1SCC1C -4.4PredN
BrC1CC(C)S18677167.064C4H7BrS2-bromo-4-methylthietaneN136BrC1CC(C)S1InChI=1S/C4H7BrS/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=YSZUIVIYSHNAIJ-UHFFFAOYSA-N164.0Ex 163.98(BP est) -4.40(MP est) ----(BP exp) ----(MP exp) BrC1CC(C)S1 -4.4PredN
SC(C(Br)C=C)8678167.064C4H7BrS2-bromobut-3-ene-1-thiolN136SC(C(Br)C=C)InChI=1S/C4H7BrS/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=YDCQMJJOTVQXHK-UHFFFAOYSA-N165.3Ex 165.25(BP est) -37.99(MP est) ----(BP exp) ----(MP exp) SC(C(Br)C=C) -38PredN
SC(C)(C=C)Br8679167.064C4H7BrS2-bromobut-3-ene-2-thiolN136SC(C)(C=C)BrInChI=1S/C4H7BrS/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=BLWRWLMWUDJXIL-UHFFFAOYSA-N156.7Ex 156.69(BP est) -31.79(MP est) ----(BP exp) ----(MP exp) SC(C)(C=C)Br -31.8PredN
SC(C1)(C(Br)C1)8680167.064C4H7BrS2-bromocyclobutane-1-thiolN136SC(C1)(C(Br)C1)InChI=1S/C4H7BrS/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=ZANHVGJVZUCKGN-UHFFFAOYSA-N179.0Ex 178.98(BP est) -20.52(MP est) ----(BP exp) ----(MP exp) SC(C1)(C(Br)C1) -20.5PredN
C(C1)SC(Br)(C1)8681167.064C4H7BrS2-bromotetrahydrothiopheneN136C(C1)SC(Br)(C1)InChI=1S/C4H7BrS/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=NRZXXQSKOYUDDP-UHFFFAOYSA-N172.1Ex 172.11(BP est) -1.67(MP est) ----(BP exp) ----(MP exp) C(C1)SC(Br)(C1) -1.7PredN
BrCC1CSC18682167.064C4H7BrS3-(bromomethyl)thietaneN136BrCC1CSC1InChI=1S/C4H7BrS/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=ANWDUWLTYDHRJV-UHFFFAOYSA-N170.2Ex 170.17(BP est) -0.48(MP est) ----(BP exp) ----(MP exp) BrCC1CSC1 -0.5PredN
BrC1C(C)(C)S18683167.064C4H7BrS3-bromo-2,2-dimethylthiiraneN136BrC1C(C)(C)S1InChI=1S/C4H7BrS/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=YMYMXVMQOJSPMC-UHFFFAOYSA-N150.5Ex 150.50(BP est) 5.37(MP est) ----(BP exp) ----(MP exp) BrC1C(C)(C)S1 5.4PredN
CC1SCC1Br8684167.064C4H7BrS3-bromo-2-methylthietaneN136CC1SCC1BrInChI=1S/C4H7BrS/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=BMBDRZCLBUWCSQ-UHFFFAOYSA-N164.0Ex 163.98(BP est) -4.40(MP est) ----(BP exp) ----(MP exp) CC1SCC1Br -4.4PredN
BrC1(C)CSC18685167.064C4H7BrS3-bromo-3-methylthietaneN136BrC1(C)CSC1InChI=1S/C4H7BrS/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=LHKXXAHGRZDVEZ-UHFFFAOYSA-N158.8Ex 158.84(BP est) 8.17(MP est) ----(BP exp) ----(MP exp) BrC1(C)CSC1 8.2PredN
SC(CC(Br)=C)8686167.064C4H7BrS3-bromobut-3-ene-1-thiolN136SC(CC(Br)=C)InChI=1S/C4H7BrS/c1-4(5)2-3-6/h6H,1-3H2InChIKey=AQAVKTMSJWZFTJ-UHFFFAOYSA-N172.3Ex 172.28(BP est) -35.43(MP est) ----(BP exp) ----(MP exp) SC(CC(Br)=C) -35.4PredN
SC(C(Br)=C)C8687167.064C4H7BrS3-bromobut-3-ene-2-thiolN136SC(C(Br)=C)CInChI=1S/C4H7BrS/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=KBVRENASTAUPPI-UHFFFAOYSA-N159.4Ex 159.37(BP est) -46.69(MP est) ----(BP exp) ----(MP exp) SC(C(Br)=C)C -46.7PredN
SC(C1)(CC1Br)8688167.064C4H7BrS3-bromocyclobutane-1-thiolN136SC(C1)(CC1Br)InChI=1S/C4H7BrS/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=RELHDYUIJOIENX-UHFFFAOYSA-N179.0Ex 178.98(BP est) -20.52(MP est) ----(BP exp) ----(MP exp) SC(C1)(CC1Br) -20.5PredN
C(C1)SC(C1Br)8689167.064C4H7BrS3-bromotetrahydrothiopheneN136C(C1)SC(C1Br)InChI=1S/C4H7BrS/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=OZEPBWJYTRMPSY-UHFFFAOYSA-N172.1Ex 172.11(BP est) -1.67(MP est) ----(BP exp) ----(MP exp) C(C1)SC(C1Br) -1.7PredN
SC(CC=CBr)8690167.064C4H7BrS4-bromobut-3-ene-1-thiolN136SC(CC=CBr)InChI=1S/C4H7BrS/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=MTLIYRPEPVUUJQ-UHFFFAOYSA-N185.9Ex 185.94(BP est) -26.12(MP est) ----(BP exp) ----(MP exp) SC(CC=CBr) -26.1PredN
SC(C)(C=CBr)8691167.064C4H7BrS4-bromobut-3-ene-2-thiolN136SC(C)(C=CBr)InChI=1S/C4H7BrS/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=MSDVZPVGGNGBSW-UHFFFAOYSA-N173.4Ex 173.39(BP est) -37.28(MP est) ----(BP exp) ----(MP exp) SC(C)(C=CBr) -37.3PredN
C(Br)SC(C=C)8692167.064C4H7BrSallyl(bromomethyl)sulfaneN136C(Br)SC(C=C)InChI=1S/C4H7BrS/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=CXQHHUBVXIBUIU-UHFFFAOYSA-N165.3Ex 165.32(BP est) -31.51(MP est) ----(BP exp) ----(MP exp) C(Br)SC(C=C) -31.5PredN
SC(Br)C(C1)(C1)8693167.064C4H7BrSbromo(cyclopropyl)methanethiolN136SC(Br)C(C1)(C1)InChI=1S/C4H7BrS/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=RBYBQPHHBWTRBV-UHFFFAOYSA-N170.5Ex 170.47(BP est) -26.62(MP est) ----(BP exp) ----(MP exp) SC(Br)C(C1)(C1) -26.6PredN
C[Si](C)(CBr)C8694167.121C4H11BrSi(bromomethyl)trimethylsilaneN176C[Si](C)(CBr)CInChI=1S/C4H11BrSi/c1-6(2,3)4-5/h4H2,1-3H3InChIKey=ACAUYCZBWABOLI-UHFFFAOYSA-N116.0Ex 101.43(BP est) -62.55(MP est) 116.50(BP exp) ----(MP exp) C[Si](C)(CBr)C -62.6PredN
BrC(Cl)=C1CC18700167.43C4H4BrCl(bromochloromethylene)cyclopropaneN106BrC(Cl)=C1CC1InChI=1S/C4H4BrCl/c5-4(6)3-1-2-3/h1-2H2InChIKey=RNUHFRKTAUTOPL-UHFFFAOYSA-N144.1Ex 144.08(BP est) -29.78(MP est) ----(BP exp) ----(MP exp) BrC(Cl)=C1CC1 -29.8PredN
BrC(Cl)C1=CC18701167.43C4H4BrCl1-(bromochloromethyl)cycloprop-1-eneN106BrC(Cl)C1=CC1InChI=1S/C4H4BrCl/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=FKUARGOOFFDXRT-UHFFFAOYSA-N148.9Ex 148.85(BP est) -27.44(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1=CC1 -27.4PredN
ClC(C1)=C1CBr8702167.43C4H4BrCl1-(bromomethyl)-2-chlorocycloprop-1-eneN106ClC(C1)=C1CBrInChI=1S/C4H4BrCl/c5-2-3-1-4(3)6/h1-2H2InChIKey=VYNBNOREERKLNJ-UHFFFAOYSA-N146.3Ex 146.28(BP est) -14.43(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1CBr -14.4PredN
BrCC1=CC1Cl8703167.43C4H4BrCl1-(bromomethyl)-3-chlorocycloprop-1-eneN106BrCC1=CC1ClInChI=1S/C4H4BrCl/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=CJZOLIPIBBQGHL-UHFFFAOYSA-N155.7Ex 155.73(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) BrCC1=CC1Cl -20.1PredN
BrC=C1CC1Cl8704167.43C4H4BrCl1-(bromomethylene)-2-chlorocyclopropaneN106BrC=C1CC1ClInChI=1S/C4H4BrCl/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=WRHZZIDTKSCIEH-UHFFFAOYSA-N157.7Ex 157.65(BP est) -20.95(MP est) ----(BP exp) ----(MP exp) BrC=C1CC1Cl -21PredN
C=C1CC1(Cl)Br8705167.43C4H4BrCl1-bromo-1-chloro-2-methylenecyclopropaneN106C=C1CC1(Cl)BrInChI=1S/C4H4BrCl/c1-3-2-4(3,5)6/h1-2H2InChIKey=VWTNSZCHBALAAN-UHFFFAOYSA-N125.1Ex 125.06(BP est) -16.86(MP est) ----(BP exp) ----(MP exp) C=C1CC1(Cl)Br -16.9PredN
CC#CC(Cl)Br8706167.43C4H4BrCl1-bromo-1-chlorobut-2-yneN106CC#CC(Cl)BrInChI=1S/C4H4BrCl/c1-2-3-4(5)6/h4H,1H3InChIKey=RCFJPOPTIMCDKB-UHFFFAOYSA-N153.7Ex 153.67(BP est) 9.28(MP est) ----(BP exp) ----(MP exp) CC#CC(Cl)Br 9.3PredN
C=CC=C(Cl)Br8707167.43C4H4BrCl1-bromo-1-chlorobuta-1,3-dieneN106C=CC=C(Cl)BrInChI=1S/C4H4BrCl/c1-2-3-4(5)6/h2-3H,1H2InChIKey=HOVRQTHWRHUURX-UHFFFAOYSA-N136.0Ex 135.98(BP est) -51.83(MP est) ----(BP exp) ----(MP exp) C=CC=C(Cl)Br -51.8PredN
BrC(C1)=C1CCl8708167.43C4H4BrCl1-bromo-2-(chloromethyl)cycloprop-1-eneN106BrC(C1)=C1CClInChI=1S/C4H4BrCl/c5-4-1-3(4)2-6/h1-2H2InChIKey=QXNACYWYJSLXSP-UHFFFAOYSA-N171.8Ex 171.84(BP est) -6.97(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1CCl -7PredN
ClC=C1CC1Br8709167.43C4H4BrCl1-bromo-2-(chloromethylene)cyclopropaneN106ClC=C1CC1BrInChI=1S/C4H4BrCl/c5-4-1-3(4)2-6/h2,4H,1H2InChIKey=CBVZZYDAQPHGQD-UHFFFAOYSA-N143.7Ex 143.70(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) ClC=C1CC1Br -25PredN
ClC(C1C)=C1Br8710167.43C4H4BrCl1-bromo-2-chloro-3-methylcycloprop-1-eneN106ClC(C1C)=C1BrInChI=1S/C4H4BrCl/c1-2-3(5)4(2)6/h2H,1H3InChIKey=JLBGULKXJUEHJT-UHFFFAOYSA-N139.8Ex 139.80(BP est) -18.45(MP est) ----(BP exp) ----(MP exp) ClC(C1C)=C1Br -18.5PredN
C=C1C(Cl)C1Br8711167.43C4H4BrCl1-bromo-2-chloro-3-methylenecyclopropaneN106C=C1C(Cl)C1BrInChI=1S/C4H4BrCl/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=LLKBLERWLRYNSI-UHFFFAOYSA-N142.8Ex 142.82(BP est) -25.75(MP est) ----(BP exp) ----(MP exp) C=C1C(Cl)C1Br -25.8PredN
C=CC(Cl)=CBr8712167.43C4H4BrCl1-bromo-2-chlorobuta-1,3-dieneN106C=CC(Cl)=CBrInChI=1S/C4H4BrCl/c1-2-4(6)3-5/h2-3H,1H2InChIKey=NXDAXZLRXKBPBX-UHFFFAOYSA-N136.0Ex 135.98(BP est) -51.83(MP est) ----(BP exp) ----(MP exp) C=CC(Cl)=CBr -51.8PredN
ClC1=C(Br)CC18713167.43C4H4BrCl1-bromo-2-chlorocyclobut-1-eneN106ClC1=C(Br)CC1InChI=1S/C4H4BrCl/c5-3-1-2-4(3)6/h1-2H2InChIKey=UBKZQUFGKCJMLZ-UHFFFAOYSA-N148.3Ex 148.31(BP est) -15.60(MP est) ----(BP exp) ----(MP exp) ClC1=C(Br)CC1 -15.6PredN
BrC1=CC1CCl8714167.43C4H4BrCl1-bromo-3-(chloromethyl)cycloprop-1-eneN106BrC1=CC1CClInChI=1S/C4H4BrCl/c5-4-1-3(4)2-6/h1,3H,2H2InChIKey=KNYZSOPHLIWIBN-UHFFFAOYSA-N167.5Ex 167.51(BP est) -16.62(MP est) ----(BP exp) ----(MP exp) BrC1=CC1CCl -16.6PredN
BrC(C1Cl)=C1C8715167.43C4H4BrCl1-bromo-3-chloro-2-methylcycloprop-1-eneN106BrC(C1Cl)=C1CInChI=1S/C4H4BrCl/c1-2-3(5)4(2)6/h4H,1H3InChIKey=PGRSDQVWJQEXAM-UHFFFAOYSA-N153.9Ex 153.85(BP est) -14.35(MP est) ----(BP exp) ----(MP exp) BrC(C1Cl)=C1C -14.4PredN
BrC1=CC1(C)Cl8716167.43C4H4BrCl1-bromo-3-chloro-3-methylcycloprop-1-eneN106BrC1=CC1(C)ClInChI=1S/C4H4BrCl/c1-4(6)2-3(4)5/h2H,1H3InChIKey=SKZQIWHLOAECHB-UHFFFAOYSA-N131.8Ex 131.81(BP est) -15.09(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(C)Cl -15.1PredN
CC(C#CBr)Cl8717167.43C4H4BrCl1-bromo-3-chlorobut-1-yneN106CC(C#CBr)ClInChI=1S/C4H4BrCl/c1-4(6)2-3-5/h4H,1H3InChIKey=GSYJVFLQPRKOAY-UHFFFAOYSA-N153.7Ex 153.67(BP est) 9.28(MP est) ----(BP exp) ----(MP exp) CC(C#CBr)Cl 9.3PredN
C=C(C=CBr)Cl8718167.43C4H4BrCl1-bromo-3-chlorobuta-1,3-dieneN106C=C(C=CBr)ClInChI=1S/C4H4BrCl/c1-4(6)2-3-5/h2-3H,1H2InChIKey=JUYYVIFMSZXPJZ-UHFFFAOYSA-N136.0Ex 135.98(BP est) -51.83(MP est) ----(BP exp) ----(MP exp) C=C(C=CBr)Cl -51.8PredN
ClC1CC(Br)=C18719167.43C4H4BrCl1-bromo-3-chlorocyclobut-1-eneN106ClC1CC(Br)=C1InChI=1S/C4H4BrCl/c5-3-1-4(6)2-3/h1,4H,2H2InChIKey=BKMAPEDWBBVZMJ-UHFFFAOYSA-N157.7Ex 157.72(BP est) -21.23(MP est) ----(BP exp) ----(MP exp) ClC1CC(Br)=C1 -21.2PredN
C(Cl)(CC#CBr)8720167.43C4H4BrCl1-bromo-4-chlorobut-1-yneN106C(Cl)(CC#CBr)InChI=1S/C4H4BrCl/c5-3-1-2-4-6/h2,4H2InChIKey=PDEXIDHWGBHRPV-UHFFFAOYSA-N178.2Ex 178.24(BP est) 23.96(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC#CBr) 24PredN
C(CCl)#C(CBr)8721167.43C4H4BrCl1-bromo-4-chlorobut-2-yneN106C(CCl)#C(CBr)InChI=1S/C4H4BrCl/c5-3-1-2-4-6/h3-4H2InChIKey=VATICBIJCZYBHZ-UHFFFAOYSA-N178.2Ex 178.24(BP est) 23.96(MP est) ----(BP exp) ----(MP exp) C(CCl)#C(CBr) 24PredN
ClC=CC=CBr8722167.43C4H4BrCl1-bromo-4-chlorobuta-1,3-dieneN106ClC=CC=CBrInChI=1S/C4H4BrCl/c5-3-1-2-4-6/h1-4HInChIKey=DTWAANUZNGJENK-UHFFFAOYSA-N150.6Ex 150.63(BP est) -42.24(MP est) ----(BP exp) ----(MP exp) ClC=CC=CBr -42.2PredN
ClC1CC=C1Br8723167.43C4H4BrCl1-bromo-4-chlorocyclobut-1-eneN106ClC1CC=C1BrInChI=1S/C4H4BrCl/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=UAZRBTOSEXEVHR-UHFFFAOYSA-N157.7Ex 157.72(BP est) -21.23(MP est) ----(BP exp) ----(MP exp) ClC1CC=C1Br -21.2PredN
C=CC(Br)=CCl8724167.43C4H4BrCl2-bromo-1-chlorobuta-1,3-dieneN106C=CC(Br)=CClInChI=1S/C4H4BrCl/c1-2-4(5)3-6/h2-3H,1H2InChIKey=RWFFNAODPJMUJL-UHFFFAOYSA-N136.0Ex 135.98(BP est) -51.83(MP est) ----(BP exp) ----(MP exp) C=CC(Br)=CCl -51.8PredN
C=C(C(Br)=C)Cl8725167.43C4H4BrCl2-bromo-3-chlorobuta-1,3-dieneN106C=C(C(Br)=C)ClInChI=1S/C4H4BrCl/c1-3(5)4(2)6/h1-2H2InChIKey=IVBPWRJIKBNGEP-UHFFFAOYSA-N121.0Ex 120.95(BP est) -61.54(MP est) ----(BP exp) ----(MP exp) C=C(C(Br)=C)Cl -61.5PredN
BrC(Cl)C1C=C18726167.43C4H4BrCl3-(bromochloromethyl)cycloprop-1-eneN106BrC(Cl)C1C=C1InChI=1S/C4H4BrCl/c5-4(6)3-1-2-3/h1-4HInChIKey=YQVPPVWUZDTTTO-UHFFFAOYSA-N144.3Ex 144.32(BP est) -37.15(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1C=C1 -37.2PredN
ClC1=CC1CBr8727167.43C4H4BrCl3-(bromomethyl)-1-chlorocycloprop-1-eneN106ClC1=CC1CBrInChI=1S/C4H4BrCl/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=MFLFWISCUJJBSM-UHFFFAOYSA-N141.7Ex 141.73(BP est) -24.14(MP est) ----(BP exp) ----(MP exp) ClC1=CC1CBr -24.1PredN
ClC1(CBr)C=C18728167.43C4H4BrCl3-(bromomethyl)-3-chlorocycloprop-1-eneN106ClC1(CBr)C=C1InChI=1S/C4H4BrCl/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=RDDAKRZZHKIQBH-UHFFFAOYSA-N133.8Ex 133.76(BP est) -20.78(MP est) ----(BP exp) ----(MP exp) ClC1(CBr)C=C1 -20.8PredN
ClCC1=CC1Br8729167.43C4H4BrCl3-bromo-1-(chloromethyl)cycloprop-1-eneN106ClCC1=CC1BrInChI=1S/C4H4BrCl/c5-4-1-3(4)2-6/h1,4H,2H2InChIKey=ZFQQDSAHNXRORZ-UHFFFAOYSA-N167.5Ex 167.51(BP est) -16.62(MP est) ----(BP exp) ----(MP exp) ClCC1=CC1Br -16.6PredN
ClC(C1Br)=C1C8730167.43C4H4BrCl3-bromo-1-chloro-2-methylcycloprop-1-eneN106ClC(C1Br)=C1CInChI=1S/C4H4BrCl/c1-2-3(5)4(2)6/h3H,1H3InChIKey=DTXPAJRNWAZOKA-UHFFFAOYSA-N139.8Ex 139.80(BP est) -18.45(MP est) ----(BP exp) ----(MP exp) ClC(C1Br)=C1C -18.5PredN
ClC1=CC1(C)Br8731167.43C4H4BrCl3-bromo-1-chloro-3-methylcycloprop-1-eneN106ClC1=CC1(C)BrInChI=1S/C4H4BrCl/c1-4(5)2-3(4)6/h2H,1H3InChIKey=YZJMCABTAXVNFN-UHFFFAOYSA-N129.8Ex 129.78(BP est) -15.68(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(C)Br -15.7PredN
CC(C#CCl)Br8732167.43C4H4BrCl3-bromo-1-chlorobut-1-yneN106CC(C#CCl)BrInChI=1S/C4H4BrCl/c1-4(5)2-3-6/h4H,1H3InChIKey=QBLWGVCKXZTDCT-UHFFFAOYSA-N139.6Ex 139.62(BP est) 5.18(MP est) ----(BP exp) ----(MP exp) CC(C#CCl)Br 5.2PredN
C=C(C=CCl)Br8733167.43C4H4BrCl3-bromo-1-chlorobuta-1,3-dieneN106C=C(C=CCl)BrInChI=1S/C4H4BrCl/c1-4(5)2-3-6/h2-3H,1H2InChIKey=MOIBJNMUFHOIJE-UHFFFAOYSA-N136.0Ex 135.98(BP est) -51.83(MP est) ----(BP exp) ----(MP exp) C=C(C=CCl)Br -51.8PredN
BrC1CC(Cl)=C18734167.43C4H4BrCl3-bromo-1-chlorocyclobut-1-eneN106BrC1CC(Cl)=C1InChI=1S/C4H4BrCl/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=SGUWRUNRMMDZFK-UHFFFAOYSA-N143.8Ex 143.78(BP est) -25.31(MP est) ----(BP exp) ----(MP exp) BrC1CC(Cl)=C1 -25.3PredN
BrC1(CCl)C=C18735167.43C4H4BrCl3-bromo-3-(chloromethyl)cycloprop-1-eneN106BrC1(CCl)C=C1InChI=1S/C4H4BrCl/c5-4(3-6)1-2-4/h1-2H,3H2InChIKey=XZBITZNRWDULIC-UHFFFAOYSA-N158.0Ex 157.99(BP est) -13.71(MP est) ----(BP exp) ----(MP exp) BrC1(CCl)C=C1 -13.7PredN
CC1=CC1(Cl)Br8736167.43C4H4BrCl3-bromo-3-chloro-1-methylcycloprop-1-eneN106CC1=CC1(Cl)BrInChI=1S/C4H4BrCl/c1-3-2-4(3,5)6/h2H,1H3InChIKey=VLXLXLLYRZHXSC-UHFFFAOYSA-N131.8Ex 131.81(BP est) -15.09(MP est) ----(BP exp) ----(MP exp) CC1=CC1(Cl)Br -15.1PredN
CC(Cl)(C#C)Br8737167.43C4H4BrCl3-bromo-3-chlorobut-1-yneN106CC(Cl)(C#C)BrInChI=1S/C4H4BrCl/c1-3-4(2,5)6/h1H,2H3InChIKey=UWONSADZOSWFOG-UHFFFAOYSA-N124.1Ex 124.10(BP est) -20.21(MP est) ----(BP exp) ----(MP exp) CC(Cl)(C#C)Br -20.2PredN
BrC1(Cl)CC=C18738167.43C4H4BrCl3-bromo-3-chlorocyclobut-1-eneN106BrC1(Cl)CC=C1InChI=1S/C4H4BrCl/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=ZVVRKUMLCGHCHF-UHFFFAOYSA-N135.8Ex 135.84(BP est) -21.93(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CC=C1 -21.9PredN
ClCC(C#C)Br8739167.43C4H4BrCl3-bromo-4-chlorobut-1-yneN106ClCC(C#C)BrInChI=1S/C4H4BrCl/c1-2-4(5)3-6/h1,4H,3H2InChIKey=WKMSLLHOVUHDTC-UHFFFAOYSA-N157.4Ex 157.44(BP est) -19.18(MP est) ----(BP exp) ----(MP exp) ClCC(C#C)Br -19.2PredN
ClC1C(Br)C=C18740167.43C4H4BrCl3-bromo-4-chlorocyclobut-1-eneN106ClC1C(Br)C=C1InChI=1S/C4H4BrCl/c5-3-1-2-4(3)6/h1-4HInChIKey=QYZCVZMHCFTVIE-UHFFFAOYSA-N153.3Ex 153.27(BP est) -30.91(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)C=C1 -30.9PredN
BrCCC#CCl8741167.43C4H4BrCl4-bromo-1-chlorobut-1-yneN106BrCCC#CClInChI=1S/C4H4BrCl/c5-3-1-2-4-6/h1,3H2InChIKey=BLROHKVLDZYASL-UHFFFAOYSA-N153.0Ex 153.01(BP est) 16.59(MP est) ----(BP exp) ----(MP exp) BrCCC#CCl 16.6PredN
BrC1CC=C1Cl8742167.43C4H4BrCl4-bromo-1-chlorocyclobut-1-eneN106BrC1CC=C1ClInChI=1S/C4H4BrCl/c5-3-1-2-4(3)6/h2-3H,1H2InChIKey=BQKFDFXLDWFXIA-UHFFFAOYSA-N143.8Ex 143.78(BP est) -25.31(MP est) ----(BP exp) ----(MP exp) BrC1CC=C1Cl -25.3PredN
BrCC(C#C)Cl8743167.43C4H4BrCl4-bromo-3-chlorobut-1-yneN106BrCC(C#C)ClInChI=1S/C4H4BrCl/c1-2-4(6)3-5/h1,4H,3H2InChIKey=BNDKARXTNMRUPR-UHFFFAOYSA-N145.4Ex 145.42(BP est) -22.69(MP est) ----(BP exp) ----(MP exp) BrCC(C#C)Cl -22.7PredN
BrC(CC#C)Cl8744167.43C4H4BrCl4-bromo-4-chlorobut-1-yneN106BrC(CC#C)ClInChI=1S/C4H4BrCl/c1-2-3-4(5)6/h1,4H,3H2InChIKey=ZNWZFAULWXKXDM-UHFFFAOYSA-N145.4Ex 145.42(BP est) -22.69(MP est) ----(BP exp) ----(MP exp) BrC(CC#C)Cl -22.7PredN
ClCC(Cl)(Cl)Cl8748167.838C2H2Cl41,1,1,2-tetrachloroethaneN86ClCC(Cl)(Cl)ClInChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2InChIKey=QVLAWKAXOMEXPM-UHFFFAOYSA-N130.2Ex 130.12(BP est) -38.22(MP est) 130.50(BP exp) -70.20(MP exp) ClCC(Cl)(Cl)Cl -70.2ExptN
ClC(C(Cl)Cl)Cl8749167.838C2H2Cl41,1,2,2-tetrachloroethaneN86ClC(C(Cl)Cl)ClInChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2HInChIKey=QPFMBZIOSGYJDE-UHFFFAOYSA-N146.3Ex 149.90(BP est) -48.66(MP est) 146.50(BP exp) -43.80(MP exp) ClC(C(Cl)Cl)Cl -43.8ExptN
IC1=CO18750167.933C2HIO2-iodooxireneN54IC1=CO1InChI=1S/C2HIO/c3-2-1-4-2/h1HInChIKey=FTOAWXGLTPWACV-UHFFFAOYSA-N130.9Ex 130.91(BP est) -39.00(MP est) ----(BP exp) ----(MP exp) IC1=CO1 -39PredN
CC=CI8751167.977C3H5I1-iodoprop-1-eneN94CC=CIInChI=1S/C3H5I/c1-2-3-4/h2-3H,1H3InChIKey=QYQQTZFOFMPYCA-UHFFFAOYSA-N92.2Ex 120.13(BP est) -70.06(MP est) ----(BP exp) ----(MP exp) CC=CI -70.1PredN
CC(I)=C8752167.977C3H5I2-iodoprop-1-eneN94CC(I)=CInChI=1S/C3H5I/c1-3(2)4/h1H2,2H3InChIKey=KWAHADSKPFGJQF-UHFFFAOYSA-N100.0Ex 104.69(BP est) -79.89(MP est) ----(BP exp) ----(MP exp) CC(I)=C -79.9PredN
ICC=C8753167.977C3H5I3-iodoprop-1-eneN94ICC=CInChI=1S/C3H5I/c1-2-3-4/h2H,1,3H2InChIKey=HFEHLDPGIKPNKL-UHFFFAOYSA-N102.5Ex 111.17(BP est) -71.02(MP est) 103.00(BP exp) -99.30(MP exp) ICC=C -99.3ExptN
IC1CC18754167.977C3H5IiodocyclopropaneN94IC1CC1InChI=1S/C3H5I/c4-3-1-2-3/h3H,1-2H2InChIKey=VLODBNNWEWTQJX-UHFFFAOYSA-N116.9Ex 116.92(BP est) -59.49(MP est) ----(BP exp) ----(MP exp) IC1CC1 -59.5PredN
NC(Br)(Cl)(C#C)8755168.418C3H3BrClN1-bromo-1-chloroprop-2-yn-1-amineN96NC(Br)(Cl)(C#C)InChI=1S/C3H3BrClN/c1-2-3(4,5)6/h1H,6H2InChIKey=MKOPRHUPIJQVNE-UHFFFAOYSA-N161.0Ex 161.02(BP est) 26.57(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)(C#C) 26.6PredN
NC(Br)(C#CCl)8756168.418C3H3BrClN1-bromo-3-chloroprop-2-yn-1-amineN96NC(Br)(C#CCl)InChI=1S/C3H3BrClN/c4-3(6)1-2-5/h3H,6H2InChIKey=XWIJSWYGGZYINL-UHFFFAOYSA-N175.5Ex 175.52(BP est) 20.24(MP est) ----(BP exp) ----(MP exp) NC(Br)(C#CCl) 20.2PredN
BrC(Cl)C1=CN18757168.418C3H3BrClN2-(bromochloromethyl)-1H-azirineN96BrC(Cl)C1=CN1InChI=1S/C3H3BrClN/c4-3(5)2-1-6-2/h1,3,6HInChIKey=MOSXTCHEKAJLKQ-UHFFFAOYSA-N183.3Ex 183.33(BP est) 29.50(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1=CN1 29.5PredN
ClC(N1)=C1CBr8758168.418C3H3BrClN2-(bromomethyl)-3-chloro-1H-azirineN96ClC(N1)=C1CBrInChI=1S/C3H3BrClN/c4-1-2-3(5)6-2/h6H,1H2InChIKey=DRTDWRSYPDNCMU-UHFFFAOYSA-N180.9Ex 180.93(BP est) 17.27(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1CBr 17.3PredN
BrC(N1)=C1CCl8759168.418C3H3BrClN2-bromo-3-(chloromethyl)-1H-azirineN96BrC(N1)=C1CClInChI=1S/C3H3BrClN/c4-3-2(1-5)6-3/h6H,1H2InChIKey=HJPQNCPXEYQCGH-UHFFFAOYSA-N204.8Ex 204.77(BP est) 27.71(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1CCl 27.7PredN
NC(Cl)(C#CBr)8760168.418C3H3BrClN3-bromo-1-chloroprop-2-yn-1-amineN96NC(Cl)(C#CBr)InChI=1S/C3H3BrClN/c4-2-1-3(5)6/h3H,6H2InChIKey=CNPAWKVJZLOACH-UHFFFAOYSA-N188.6Ex 188.63(BP est) 25.98(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C#CBr) 26PredN
O=P(C#CBr)O8775168.914C2H2BrO2P(bromoethynyl)phosphinic acidN86O=P(C#CBr)OInChI=1S/C2H2BrO2P/c3-1-2-6(4)5/h6H,(H,4,5)InChIKey=HWDXBDLFBIPFMS-UHFFFAOYSA-N258.4Ex 258.44(BP est) 56.12(MP est) ----(BP exp) ----(MP exp) O=P(C#CBr)O 56.1PredN
PC(C#C)(Br)F8776168.933C3H3BrFP(1-bromo-1-fluoroprop-2-yn-1-yl)phosphaneN96PC(C#C)(Br)FInChI=1S/C3H3BrFP/c1-2-3(4,5)6/h1H,6H2InChIKey=TYXBXWNJOSKXCA-UHFFFAOYSA-N125.1Ex 125.08(BP est) -24.53(MP est) ----(BP exp) ----(MP exp) PC(C#C)(Br)F -24.5PredN
PC(Br)C#CF8777168.933C3H3BrFP(1-bromo-3-fluoroprop-2-yn-1-yl)phosphaneN96PC(Br)C#CFInChI=1S/C3H3BrFP/c4-3(6)1-2-5/h3H,6H2InChIKey=PKGOIDVRJLZSMG-UHFFFAOYSA-N142.6Ex 142.56(BP est) 1.42(MP est) ----(BP exp) ----(MP exp) PC(Br)C#CF 1.4PredN
PC(F)C#CBr8778168.933C3H3BrFP(3-bromo-1-fluoroprop-2-yn-1-yl)phosphaneN96PC(F)C#CBrInChI=1S/C3H3BrFP/c4-2-1-3(5)6/h3H,6H2InChIKey=JDRVEQPTLRYVLB-UHFFFAOYSA-N142.6Ex 142.56(BP est) 1.42(MP est) ----(BP exp) ----(MP exp) PC(F)C#CBr 1.4PredN
FCPC#CBr8779168.933C3H3BrFP(bromoethynyl)(fluoromethyl)phosphaneN96FCPC#CBrInChI=1S/C3H3BrFP/c4-1-2-6-3-5/h6H,3H2InChIKey=ZNMVUZWDYYYLDO-UHFFFAOYSA-N136.8Ex 136.80(BP est) -0.94(MP est) ----(BP exp) ----(MP exp) FCPC#CBr -0.9PredN
BrC(PC#C)F8780168.933C3H3BrFP(bromofluoromethyl)(ethynyl)phosphaneN96BrC(PC#C)FInChI=1S/C3H3BrFP/c1-2-6-3(4)5/h1,3,6HInChIKey=OLLDKYYTFMEQHX-UHFFFAOYSA-N114.3Ex 114.31(BP est) -44.57(MP est) ----(BP exp) ----(MP exp) BrC(PC#C)F -44.6PredN
BrCPC#CF8781168.933C3H3BrFP(bromomethyl)(fluoroethynyl)phosphaneN96BrCPC#CFInChI=1S/C3H3BrFP/c4-3-6-2-1-5/h6H,3H2InChIKey=QVSHLOOHSHFCKV-UHFFFAOYSA-N136.8Ex 136.80(BP est) -0.94(MP est) ----(BP exp) ----(MP exp) BrCPC#CF -0.9PredN
BrC1(F)C=CP18782168.933C3H3BrFP2-bromo-2-fluoro-1,2-dihydrophospheteN96BrC1(F)C=CP1InChI=1S/C3H3BrFP/c4-3(5)1-2-6-3/h1-2,6HInChIKey=PFYGOTOJBVSDPI-UHFFFAOYSA-N114.9Ex 114.91(BP est) -39.08(MP est) ----(BP exp) ----(MP exp) BrC1(F)C=CP1 -39.1PredN
BrC1C(F)=CP18783168.933C3H3BrFP2-bromo-3-fluoro-1,2-dihydrophospheteN96BrC1C(F)=CP1InChI=1S/C3H3BrFP/c4-3-2(5)1-6-3/h1,3,6HInChIKey=SBQGULPYNQTLQI-UHFFFAOYSA-N125.2Ex 125.18(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) BrC1C(F)=CP1 -41.8PredN
BrC1C=C(F)P18784168.933C3H3BrFP2-bromo-4-fluoro-1,2-dihydrophospheteN96BrC1C=C(F)P1InChI=1S/C3H3BrFP/c4-2-1-3(5)6-2/h1-2,6HInChIKey=IRXASWOJOTYWNJ-UHFFFAOYSA-N125.2Ex 125.18(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) BrC1C=C(F)P1 -41.8PredN
FC1C(Br)=CP18785168.933C3H3BrFP3-bromo-2-fluoro-1,2-dihydrophospheteN96FC1C(Br)=CP1InChI=1S/C3H3BrFP/c4-2-1-6-3(2)5/h1,3,6HInChIKey=ZKBUFKJZLOXCST-UHFFFAOYSA-N125.2Ex 125.18(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) FC1C(Br)=CP1 -41.8PredN
FC1=C(CP1)Br8786168.933C3H3BrFP3-bromo-4-fluoro-1,2-dihydrophospheteN96FC1=C(CP1)BrInChI=1S/C3H3BrFP/c4-2-1-6-3(2)5/h6H,1H2InChIKey=PPUBTLZIWPHFNP-UHFFFAOYSA-N129.9Ex 129.87(BP est) -32.03(MP est) ----(BP exp) ----(MP exp) FC1=C(CP1)Br -32PredN
FC1C=C(Br)P18787168.933C3H3BrFP4-bromo-2-fluoro-1,2-dihydrophospheteN96FC1C=C(Br)P1InChI=1S/C3H3BrFP/c4-2-1-3(5)6-2/h1,3,6HInChIKey=NCGUNOUDPTXZFW-UHFFFAOYSA-N125.2Ex 125.18(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) FC1C=C(Br)P1 -41.8PredN
BrC1=C(CP1)F8788168.933C3H3BrFP4-bromo-3-fluoro-1,2-dihydrophospheteN96BrC1=C(CP1)FInChI=1S/C3H3BrFP/c4-3-2(5)1-6-3/h6H,1H2InChIKey=OUNPOWTUTZTYBS-UHFFFAOYSA-N129.9Ex 129.87(BP est) -32.03(MP est) ----(BP exp) ----(MP exp) BrC1=C(CP1)F -32PredN
O=PC(Br)CC8790168.958C3H6BrOP(1-bromopropyl)(oxo)phosphaneN126O=PC(Br)CCInChI=1S/C3H6BrOP/c1-2-3(4)6-5/h3H,2H2,1H3InChIKey=PXJPSTWNPQOTCK-UHFFFAOYSA-N168.0Ex 168.00(BP est) -26.99(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CC -27PredN
BrC(POC)=C8792168.958C3H6BrOP(1-bromovinyl)(methoxy)phosphaneN126BrC(POC)=CInChI=1S/C3H6BrOP/c1-3(4)6-5-2/h6H,1H2,2H3InChIKey=RXWAXOZEXPRHGN-UHFFFAOYSA-N133.8Ex 133.83(BP est) -51.90(MP est) ----(BP exp) ----(MP exp) BrC(POC)=C -51.9PredN
O=P(C)C(Br)=C8793168.958C3H6BrOP(1-bromovinyl)(methyl)phosphine oxideN126O=P(C)C(Br)=CInChI=1S/C3H6BrOP/c1-3(4)6(2)5/h6H,1H2,2H3InChIKey=DGCGVVBMFGFMIB-UHFFFAOYSA-N171.5Ex 171.45(BP est) -34.53(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Br)=C -34.5PredN
O=PCC(Br)C8795168.958C3H6BrOP(2-bromopropyl)(oxo)phosphaneN126O=PCC(Br)CInChI=1S/C3H6BrOP/c1-3(4)2-6-5/h3H,2H2,1H3InChIKey=FACSGALMUXYOHA-UHFFFAOYSA-N168.0Ex 168.00(BP est) -26.99(MP est) ----(BP exp) ----(MP exp) O=PCC(Br)C -27PredN
BrC=CPOC8797168.958C3H6BrOP(2-bromovinyl)(methoxy)phosphaneN126BrC=CPOCInChI=1S/C3H6BrOP/c1-5-6-3-2-4/h2-3,6H,1H3InChIKey=LWRHAXXOWPBWHU-UHFFFAOYSA-N148.5Ex 148.53(BP est) -42.29(MP est) ----(BP exp) ----(MP exp) BrC=CPOC -42.3PredN
O=P(C)C=CBr8798168.958C3H6BrOP(2-bromovinyl)(methyl)phosphine oxideN126O=P(C)C=CBrInChI=1S/C3H6BrOP/c1-6(5)3-2-4/h2-3,6H,1H3InChIKey=RAKQNQVKNPEEFF-UHFFFAOYSA-N185.1Ex 185.14(BP est) -25.21(MP est) ----(BP exp) ----(MP exp) O=P(C)C=CBr -25.2PredN
O=PCCCBr8800168.958C3H6BrOP(3-bromopropyl)(oxo)phosphaneN126O=PCCCBrInChI=1S/C3H6BrOP/c4-2-1-3-6-5/h1-3H2InChIKey=AKCXGPRFFALEOQ-UHFFFAOYSA-N180.7Ex 180.68(BP est) -15.79(MP est) ----(BP exp) ----(MP exp) O=PCCCBr -15.8PredN
O=P(CBr)C=C8802168.958C3H6BrOP(bromomethyl)(vinyl)phosphine oxideN126O=P(CBr)C=CInChI=1S/C3H6BrOP/c1-2-6(5)3-4/h2,6H,1,3H2InChIKey=RQERVJSQSZLIKX-UHFFFAOYSA-N177.2Ex 177.20(BP est) -25.87(MP est) ----(BP exp) ----(MP exp) O=P(CBr)C=C -25.9PredN
O=P1(CBr)CC18803168.958C3H6BrOP1-(bromomethyl)phosphirane 1-oxideN126O=P1(CBr)CC1InChI=1S/C3H6BrOP/c4-3-6(5)1-2-6/h1-3H2InChIKey=KSNHFEBWIHTMTR-UHFFFAOYSA-N184.5Ex 184.48(BP est) -18.20(MP est) ----(BP exp) ----(MP exp) O=P1(CBr)CC1 -18.2PredN
BrC1CP1OC8804168.958C3H6BrOP2-bromo-1-methoxyphosphiraneN126BrC1CP1OCInChI=1S/C3H6BrOP/c1-5-6-2-3(6)4/h3H,2H2,1H3InChIKey=KTBPYNADXNJXHC-UHFFFAOYSA-N144.3Ex 144.32(BP est) -30.93(MP est) ----(BP exp) ----(MP exp) BrC1CP1OC -30.9PredN
O=P1(C)C(Br)C18805168.958C3H6BrOP2-bromo-1-methylphosphirane 1-oxideN126O=P1(C)C(Br)C1InChI=1S/C3H6BrOP/c1-6(5)2-3(6)4/h3H,2H2,1H3InChIKey=NRBJPMPSTRKROO-UHFFFAOYSA-N178.5Ex 178.47(BP est) -22.08(MP est) ----(BP exp) ----(MP exp) O=P1(C)C(Br)C1 -22.1PredN
O=P1C(Br)CC18807168.958C3H6BrOP2-bromophosphetane 1-oxideN126O=P1C(Br)CC1InChI=1S/C3H6BrOP/c4-3-1-2-6(3)5/h3,6H,1-2H2InChIKey=ZAYYLKNTSFHGJY-UHFFFAOYSA-N182.3Ex 182.29(BP est) -14.54(MP est) ----(BP exp) ----(MP exp) O=P1C(Br)CC1 -14.5PredN
O=P1CC(Br)C18809168.958C3H6BrOP3-bromophosphetane 1-oxideN126O=P1CC(Br)C1InChI=1S/C3H6BrOP/c4-3-1-6(5)2-3/h3,6H,1-2H2InChIKey=OAQBBNQZVURCIU-UHFFFAOYSA-N182.3Ex 182.29(BP est) -14.54(MP est) ----(BP exp) ----(MP exp) O=P1CC(Br)C1 -14.5PredN
IC1CN18810168.965C2H4IN2-iodoaziridineN84IC1CN1InChI=1S/C2H4IN/c3-2-1-4-2/h2,4H,1H2InChIKey=VCKQQFMLYIUXKI-UHFFFAOYSA-N153.5Ex 153.45(BP est) -1.95(MP est) ----(BP exp) ----(MP exp) IC1CN1 -2PredN
CC(CBr)(P)C8811169.002C4H10BrP(1-bromo-2-methylpropan-2-yl)phosphaneN166CC(CBr)(P)CInChI=1S/C4H10BrP/c1-4(2,6)3-5/h3,6H2,1-2H3InChIKey=WTIWUSJQAUVXDC-UHFFFAOYSA-N137.7Ex 137.65(BP est) -39.01(MP est) ----(BP exp) ----(MP exp) CC(CBr)(P)C -39PredN
CC(C(P)Br)C8812169.002C4H10BrP(1-bromo-2-methylpropyl)phosphaneN166CC(C(P)Br)CInChI=1S/C4H10BrP/c1-3(2)4(5)6/h3-4H,6H2,1-2H3InChIKey=FWCSHILIBNSEBF-UHFFFAOYSA-N133.0Ex 132.98(BP est) -56.58(MP est) ----(BP exp) ----(MP exp) CC(C(P)Br)C -56.6PredN
BrCC(P)CC8813169.002C4H10BrP(1-bromobutan-2-yl)phosphaneN166BrCC(P)CCInChI=1S/C4H10BrP/c1-2-4(6)3-5/h4H,2-3,6H2,1H3InChIKey=BNDOWLGMVMZURK-UHFFFAOYSA-N146.5Ex 146.53(BP est) -45.13(MP est) ----(BP exp) ----(MP exp) BrCC(P)CC -45.1PredN
BrC(P)CCC8814169.002C4H10BrP(1-bromobutyl)phosphaneN166BrC(P)CCCInChI=1S/C4H10BrP/c1-2-3-4(5)6/h4H,2-3,6H2,1H3InChIKey=GGJDKOUJECHTCI-UHFFFAOYSA-N146.5Ex 146.53(BP est) -45.13(MP est) ----(BP exp) ----(MP exp) BrC(P)CCC -45.1PredN
CCPC(C)Br8815169.002C4H10BrP(1-bromoethyl)(ethyl)phosphaneN166CCPC(C)BrInChI=1S/C4H10BrP/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=PBDYRDNZXGOAIY-UHFFFAOYSA-N127.1Ex 127.11(BP est) -58.98(MP est) ----(BP exp) ----(MP exp) CCPC(C)Br -59PredN
CP(C(C)Br)C8816169.002C4H10BrP(1-bromoethyl)dimethylphosphaneN166CP(C(C)Br)CInChI=1S/C4H10BrP/c1-4(5)6(2)3/h4H,1-3H3InChIKey=VRTNSVBSINPOSA-UHFFFAOYSA-N128.0Ex 128.03(BP est) -59.40(MP est) ----(BP exp) ----(MP exp) CP(C(C)Br)C -59.4PredN
CPC(CBr)C8817169.002C4H10BrP(1-bromopropan-2-yl)(methyl)phosphaneN166CPC(CBr)CInChI=1S/C4H10BrP/c1-4(3-5)6-2/h4,6H,3H2,1-2H3InChIKey=LRYGNOBCYUPKMD-UHFFFAOYSA-N127.1Ex 127.11(BP est) -58.98(MP est) ----(BP exp) ----(MP exp) CPC(CBr)C -59PredN
CPC(CC)Br8818169.002C4H10BrP(1-bromopropyl)(methyl)phosphaneN166CPC(CC)BrInChI=1S/C4H10BrP/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=QTZFIPMPCMABQK-UHFFFAOYSA-N127.1Ex 127.11(BP est) -58.98(MP est) ----(BP exp) ----(MP exp) CPC(CC)Br -59PredN
BrC(C)(CP)C8819169.002C4H10BrP(2-bromo-2-methylpropyl)phosphaneN166BrC(C)(CP)CInChI=1S/C4H10BrP/c1-4(2,5)3-6/h3,6H2,1-2H3InChIKey=XSAYWGROSGDLPD-UHFFFAOYSA-N137.7Ex 137.65(BP est) -39.01(MP est) ----(BP exp) ----(MP exp) BrC(C)(CP)C -39PredN
BrC(CC)(P)C8820169.002C4H10BrP(2-bromobutan-2-yl)phosphaneN166BrC(CC)(P)CInChI=1S/C4H10BrP/c1-3-4(2,5)6/h3,6H2,1-2H3InChIKey=HCOFJRAWTHWPCY-UHFFFAOYSA-N137.7Ex 137.65(BP est) -39.01(MP est) ----(BP exp) ----(MP exp) BrC(CC)(P)C -39PredN
BrC(CC)CP8821169.002C4H10BrP(2-bromobutyl)phosphaneN166BrC(CC)CPInChI=1S/C4H10BrP/c1-2-4(5)3-6/h4H,2-3,6H2,1H3InChIKey=IQMRMOPDTMWRFF-UHFFFAOYSA-N146.5Ex 146.53(BP est) -45.13(MP est) ----(BP exp) ----(MP exp) BrC(CC)CP -45.1PredN
CCPCCBr8822169.002C4H10BrP(2-bromoethyl)(ethyl)phosphaneN166CCPCCBrInChI=1S/C4H10BrP/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=LBIFAWHBXIDDBC-UHFFFAOYSA-N140.8Ex 140.80(BP est) -47.48(MP est) ----(BP exp) ----(MP exp) CCPCCBr -47.5PredN
CP(CCBr)C8823169.002C4H10BrP(2-bromoethyl)dimethylphosphaneN166CP(CCBr)CInChI=1S/C4H10BrP/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=UZLWRVLGIAKTRR-UHFFFAOYSA-N141.7Ex 141.70(BP est) -47.91(MP est) ----(BP exp) ----(MP exp) CP(CCBr)C -47.9PredN
CPC(C)(C)Br8824169.002C4H10BrP(2-bromopropan-2-yl)(methyl)phosphaneN166CPC(C)(C)BrInChI=1S/C4H10BrP/c1-4(2,5)6-3/h6H,1-3H3InChIKey=OMJQMLXWEXERPZ-UHFFFAOYSA-N117.9Ex 117.93(BP est) -52.95(MP est) ----(BP exp) ----(MP exp) CPC(C)(C)Br -53PredN
CPCC(C)Br8825169.002C4H10BrP(2-bromopropyl)(methyl)phosphaneN166CPCC(C)BrInChI=1S/C4H10BrP/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=OAWZOZTXNHXXDB-UHFFFAOYSA-N127.1Ex 127.11(BP est) -58.98(MP est) ----(BP exp) ----(MP exp) CPCC(C)Br -59PredN
CC(CP)CBr8826169.002C4H10BrP(3-bromo-2-methylpropyl)phosphaneN166CC(CP)CBrInChI=1S/C4H10BrP/c1-4(2-5)3-6/h4H,2-3,6H2,1H3InChIKey=ZXAIGMBQDQHFQO-UHFFFAOYSA-N146.5Ex 146.53(BP est) -45.13(MP est) ----(BP exp) ----(MP exp) CC(CP)CBr -45.1PredN
CC(P)C(C)Br8827169.002C4H10BrP(3-bromobutan-2-yl)phosphaneN166CC(P)C(C)BrInChI=1S/C4H10BrP/c1-3(5)4(2)6/h3-4H,6H2,1-2H3InChIKey=ZGMLKCSGEZMYAZ-UHFFFAOYSA-N133.0Ex 132.98(BP est) -56.58(MP est) ----(BP exp) ----(MP exp) CC(P)C(C)Br -56.6PredN
BrC(C)CCP8828169.002C4H10BrP(3-bromobutyl)phosphaneN166BrC(C)CCPInChI=1S/C4H10BrP/c1-4(5)2-3-6/h4H,2-3,6H2,1H3InChIKey=LHGZZRBGOQQMRZ-UHFFFAOYSA-N146.5Ex 146.53(BP est) -45.13(MP est) ----(BP exp) ----(MP exp) BrC(C)CCP -45.1PredN
CPCCCBr8829169.002C4H10BrP(3-bromopropyl)(methyl)phosphaneN166CPCCCBrInChI=1S/C4H10BrP/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=IQUCZUIMJDADNQ-UHFFFAOYSA-N140.8Ex 140.80(BP est) -47.48(MP est) ----(BP exp) ----(MP exp) CPCCCBr -47.5PredN
CC(P)CCBr8830169.002C4H10BrP(4-bromobutan-2-yl)phosphaneN166CC(P)CCBrInChI=1S/C4H10BrP/c1-4(6)2-3-5/h4H,2-3,6H2,1H3InChIKey=BTOAZWKNOCVPBH-UHFFFAOYSA-N146.5Ex 146.53(BP est) -45.13(MP est) ----(BP exp) ----(MP exp) CC(P)CCBr -45.1PredN
BrCCCCP8831169.002C4H10BrP(4-bromobutyl)phosphaneN166BrCCCCPInChI=1S/C4H10BrP/c5-3-1-2-4-6/h1-4,6H2InChIKey=PBILJAUDZRZKLD-UHFFFAOYSA-N159.8Ex 159.75(BP est) -33.77(MP est) ----(BP exp) ----(MP exp) BrCCCCP -33.8PredN
CP(CC)CBr8832169.002C4H10BrP(bromomethyl)(ethyl)(methyl)phosphaneN166CP(CC)CBrInChI=1S/C4H10BrP/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=BLAHAXKJXOXCAB-UHFFFAOYSA-N141.7Ex 141.70(BP est) -47.91(MP est) ----(BP exp) ----(MP exp) CP(CC)CBr -47.9PredN
BrCPC(C)C8833169.002C4H10BrP(bromomethyl)(isopropyl)phosphaneN166BrCPC(C)CInChI=1S/C4H10BrP/c1-4(2)6-3-5/h4,6H,3H2,1-2H3InChIKey=VOTMGQOYBRAKJX-UHFFFAOYSA-N127.1Ex 127.11(BP est) -58.98(MP est) ----(BP exp) ----(MP exp) BrCPC(C)C -59PredN
BrCPCCC8834169.002C4H10BrP(bromomethyl)(propyl)phosphaneN166BrCPCCCInChI=1S/C4H10BrP/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=UREHKKSTEOHCCT-UHFFFAOYSA-N140.8Ex 140.80(BP est) -47.48(MP est) ----(BP exp) ----(MP exp) BrCPCCC -47.5PredN
SC(Br)(F)(C#C)8835169.011C3H2BrFS1-bromo-1-fluoroprop-2-yne-1-thiolN86SC(Br)(F)(C#C)InChI=1S/C3H2BrFS/c1-2-3(4,5)6/h1,6HInChIKey=DQHAPKAEGOEBFG-UHFFFAOYSA-N146.2Ex 146.21(BP est) -15.82(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(C#C) -15.8PredN
SC(Br)(C#CF)8836169.011C3H2BrFS1-bromo-3-fluoroprop-2-yne-1-thiolN86SC(Br)(C#CF)InChI=1S/C3H2BrFS/c4-3(6)1-2-5/h3,6HInChIKey=YEFHFXDBGMFMMR-UHFFFAOYSA-N163.0Ex 163.04(BP est) 9.95(MP est) ----(BP exp) ----(MP exp) SC(Br)(C#CF) 10PredN
BrC(F)C1=CS18837169.011C3H2BrFS2-(bromofluoromethyl)thiireneN86BrC(F)C1=CS1InChI=1S/C3H2BrFS/c4-3(5)2-1-6-2/h1,3HInChIKey=UCGWUJXLFMFNFY-UHFFFAOYSA-N142.7Ex 142.68(BP est) -10.82(MP est) ----(BP exp) ----(MP exp) BrC(F)C1=CS1 -10.8PredN
FC(S1)=C1CBr8838169.011C3H2BrFS2-(bromomethyl)-3-fluorothiireneN86FC(S1)=C1CBrInChI=1S/C3H2BrFS/c4-1-2-3(5)6-2/h1H2InChIKey=QYDYCZYYEYJFBC-UHFFFAOYSA-N154.1Ex 154.12(BP est) 6.28(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1CBr 6.3PredN
BrC(S1)=C1CF8839169.011C3H2BrFS2-bromo-3-(fluoromethyl)thiireneN86BrC(S1)=C1CFInChI=1S/C3H2BrFS/c4-3-2(1-5)6-3/h1H2InChIKey=MKWXQUTVRKOOCZ-UHFFFAOYSA-N154.1Ex 154.12(BP est) 6.28(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1CF 6.3PredN
SC(F)(C#CBr)8840169.011C3H2BrFS3-bromo-1-fluoroprop-2-yne-1-thiolN86SC(F)(C#CBr)InChI=1S/C3H2BrFS/c4-2-1-3(5)6/h3,6HInChIKey=GVJOPEKKUBWKKB-UHFFFAOYSA-N163.0Ex 163.04(BP est) 9.95(MP est) ----(BP exp) ----(MP exp) SC(F)(C#CBr) 10PredN
NC(NCBr)=S8841169.04C2H5BrN2S1-(bromomethyl)thioureaN116NC(NCBr)=SInChI=1S/C2H5BrN2S/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=KGHHHCUYLDKWRJ-UHFFFAOYSA-N227.7Ex 227.67(BP est) 42.85(MP est) ----(BP exp) ----(MP exp) NC(NCBr)=S 42.9PredN
F[Si]1(CC1)CBr8842169.068C3H6BrFSi1-(bromomethyl)-1-fluorosiliraneN126F[Si]1(CC1)CBrInChI=1S/C3H6BrFSi/c4-3-6(5)1-2-6/h1-3H2InChIKey=BLBQDPNRXRHUPG-UHFFFAOYSA-N74.1Ex 74.08(BP est) -22.53(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1)CBr -22.5PredN
F[Si]1(CC1Br)C8843169.068C3H6BrFSi2-bromo-1-fluoro-1-methylsiliraneN126F[Si]1(CC1Br)CInChI=1S/C3H6BrFSi/c1-6(5)2-3(6)4/h3H,2H2,1H3InChIKey=HMOYKKOIEXBHCW-UHFFFAOYSA-N66.8Ex 66.80(BP est) -26.77(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1Br)C -26.8PredN
CCSC(C)Br8844169.08C4H9BrS(1-bromoethyl)(ethyl)sulfaneN156CCSC(C)BrInChI=1S/C4H9BrS/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=DVYZWCYIBPOHEH-UHFFFAOYSA-N153.9Ex 153.88(BP est) -41.47(MP est) ----(BP exp) ----(MP exp) CCSC(C)Br -41.5PredN
CSC(CBr)C8845169.08C4H9BrS(1-bromopropan-2-yl)(methyl)sulfaneN156CSC(CBr)CInChI=1S/C4H9BrS/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=GNPVUAJKYLAWCQ-UHFFFAOYSA-N153.9Ex 153.88(BP est) -41.47(MP est) ----(BP exp) ----(MP exp) CSC(CBr)C -41.5PredN
CSC(CC)Br8846169.08C4H9BrS(1-bromopropyl)(methyl)sulfaneN156CSC(CC)BrInChI=1S/C4H9BrS/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=OLCVUVKZBGFGLR-UHFFFAOYSA-N153.9Ex 153.88(BP est) -41.47(MP est) ----(BP exp) ----(MP exp) CSC(CC)Br -41.5PredN
C(C)SC(CBr)8847169.08C4H9BrS(2-bromoethyl)(ethyl)sulfaneN156C(C)SC(CBr)InChI=1S/C4H9BrS/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=WNKBNVXUYLXITH-UHFFFAOYSA-N166.9Ex 166.92(BP est) -30.16(MP est) ----(BP exp) ----(MP exp) C(C)SC(CBr) -30.2PredN
CSC(C)(C)Br8848169.08C4H9BrS(2-bromopropan-2-yl)(methyl)sulfaneN156CSC(C)(C)BrInChI=1S/C4H9BrS/c1-4(2,5)6-3/h1-3H3InChIKey=JKMUATWDZAKXCN-UHFFFAOYSA-N145.1Ex 145.12(BP est) -35.31(MP est) ----(BP exp) ----(MP exp) CSC(C)(C)Br -35.3PredN
CSCC(C)Br8849169.08C4H9BrS(2-bromopropyl)(methyl)sulfaneN156CSCC(C)BrInChI=1S/C4H9BrS/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=RIMXDEIRLBSMMW-UHFFFAOYSA-N153.9Ex 153.88(BP est) -41.47(MP est) ----(BP exp) ----(MP exp) CSCC(C)Br -41.5PredN
CSC(CCBr)8850169.08C4H9BrS(3-bromopropyl)(methyl)sulfaneN156CSC(CCBr)InChI=1S/C4H9BrS/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=GNHPNQQIVWCDEU-UHFFFAOYSA-N166.9Ex 166.92(BP est) -30.16(MP est) ----(BP exp) ----(MP exp) CSC(CCBr) -30.2PredN
BrCSC(C)C8851169.08C4H9BrS(bromomethyl)(isopropyl)sulfaneN156BrCSC(C)CInChI=1S/C4H9BrS/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=FKXVRYRFXVBEMH-UHFFFAOYSA-N153.9Ex 153.88(BP est) -41.47(MP est) ----(BP exp) ----(MP exp) BrCSC(C)C -41.5PredN
C(Br)SC(CC)8852169.08C4H9BrS(bromomethyl)(propyl)sulfaneN156C(Br)SC(CC)InChI=1S/C4H9BrS/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=NWHAKFYYXZJSGG-UHFFFAOYSA-N166.9Ex 166.92(BP est) -30.16(MP est) ----(BP exp) ----(MP exp) C(Br)SC(CC) -30.2PredN
SC(C(C)C)Br8853169.08C4H9BrS1-bromo-2-methylpropane-1-thiolN156SC(C(C)C)BrInChI=1S/C4H9BrS/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=JHROXQFYAFITOU-UHFFFAOYSA-N153.8Ex 153.81(BP est) -47.96(MP est) ----(BP exp) ----(MP exp) SC(C(C)C)Br -48PredN
SC(C)(CBr)C8854169.08C4H9BrS1-bromo-2-methylpropane-2-thiolN156SC(C)(CBr)CInChI=1S/C4H9BrS/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=CHKGFXYVBSHUMB-UHFFFAOYSA-N158.3Ex 158.32(BP est) -30.43(MP est) ----(BP exp) ----(MP exp) SC(C)(CBr)C -30.4PredN
SC(Br)(CCC)8855169.08C4H9BrS1-bromobutane-1-thiolN156SC(Br)(CCC)InChI=1S/C4H9BrS/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=KRGBQHXOQSNKJK-UHFFFAOYSA-N166.9Ex 166.85(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) SC(Br)(CCC) -36.7PredN
SC(CBr)(CC)8856169.08C4H9BrS1-bromobutane-2-thiolN156SC(CBr)(CC)InChI=1S/C4H9BrS/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=DUVLMNXMMWFDAC-UHFFFAOYSA-N166.9Ex 166.85(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) SC(CBr)(CC) -36.7PredN
SCC(C)(C)Br8857169.08C4H9BrS2-bromo-2-methylpropane-1-thiolN156SCC(C)(C)BrInChI=1S/C4H9BrS/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=QYIXAKXDTWOBFZ-UHFFFAOYSA-N158.3Ex 158.32(BP est) -30.43(MP est) ----(BP exp) ----(MP exp) SCC(C)(C)Br -30.4PredN
SC(C(Br)CC)8858169.08C4H9BrS2-bromobutane-1-thiolN156SC(C(Br)CC)InChI=1S/C4H9BrS/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=QXHDFLOOZATPIS-UHFFFAOYSA-N166.9Ex 166.85(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) SC(C(Br)CC) -36.7PredN
SC(C)(CC)Br8859169.08C4H9BrS2-bromobutane-2-thiolN156SC(C)(CC)BrInChI=1S/C4H9BrS/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=SXZARPFFQCBYHF-UHFFFAOYSA-N158.3Ex 158.32(BP est) -30.43(MP est) ----(BP exp) ----(MP exp) SC(C)(CC)Br -30.4PredN
SCC(C)(CBr)8860169.08C4H9BrS3-bromo-2-methylpropane-1-thiolN156SCC(C)(CBr)InChI=1S/C4H9BrS/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=UTLQDNQRVDSNHT-UHFFFAOYSA-N166.9Ex 166.85(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) SCC(C)(CBr) -36.7PredN
SC(CC(Br)C)8861169.08C4H9BrS3-bromobutane-1-thiolN156SC(CC(Br)C)InChI=1S/C4H9BrS/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=ZHNWSGOGOVGSRQ-UHFFFAOYSA-N166.9Ex 166.85(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) SC(CC(Br)C) -36.7PredN
SC(C(C)Br)C8862169.08C4H9BrS3-bromobutane-2-thiolN156SC(C(C)Br)CInChI=1S/C4H9BrS/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=GSSKPCRRMGDNFT-UHFFFAOYSA-N153.8Ex 153.81(BP est) -47.96(MP est) ----(BP exp) ----(MP exp) SC(C(C)Br)C -48PredN
SC(CCCBr)8863169.08C4H9BrS4-bromobutane-1-thiolN156SC(CCCBr)InChI=1S/C4H9BrS/c5-3-1-2-4-6/h6H,1-4H2InChIKey=NVJAJBZSYFZKSJ-UHFFFAOYSA-N179.6Ex 179.57(BP est) -25.44(MP est) ----(BP exp) ----(MP exp) SC(CCCBr) -25.4PredN
SC(C)(CCBr)8864169.08C4H9BrS4-bromobutane-2-thiolN156SC(C)(CCBr)InChI=1S/C4H9BrS/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=XLQGOTVMAUFGDD-UHFFFAOYSA-N166.9Ex 166.85(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) SC(C)(CCBr) -36.7PredN
OC(Br)(Cl)(C#C)8865169.402C3H2BrClO1-bromo-1-chloroprop-2-yn-1-olN86OC(Br)(Cl)(C#C)InChI=1S/C3H2BrClO/c1-2-3(4,5)6/h1,6HInChIKey=LGGAQEXZRGQSCD-UHFFFAOYSA-N167.5Ex 167.52(BP est) 17.25(MP est) ----(BP exp) ----(MP exp) OC(Br)(Cl)(C#C) 17.3PredN
OC(Br)(C#CCl)8866169.402C3H2BrClO1-bromo-3-chloroprop-2-yn-1-olN86OC(Br)(C#CCl)InChI=1S/C3H2BrClO/c4-3(6)1-2-5/h3,6HInChIKey=VWQQKVOVYSRJMF-UHFFFAOYSA-N191.4Ex 191.42(BP est) 21.59(MP est) ----(BP exp) ----(MP exp) OC(Br)(C#CCl) 21.6PredN
BrC(Cl)C1=CO18867169.402C3H2BrClO2-(bromochloromethyl)oxireneN86BrC(Cl)C1=CO1InChI=1S/C3H2BrClO/c4-3(5)2-1-6-2/h1,3HInChIKey=YEGLDTKLTAGOAQ-UHFFFAOYSA-N154.8Ex 154.79(BP est) -18.06(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1=CO1 -18.1PredN
ClC(O1)=C1CBr8868169.402C3H2BrClO2-(bromomethyl)-3-chlorooxireneN86ClC(O1)=C1CBrInChI=1S/C3H2BrClO/c4-1-2-3(5)6-2/h1H2InChIKey=QVRBHKQKKCOBGZ-UHFFFAOYSA-N152.2Ex 152.24(BP est) -5.04(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1CBr -5PredN
BrC(O1)=C1CCl8869169.402C3H2BrClO2-bromo-3-(chloromethyl)oxireneN86BrC(O1)=C1CClInChI=1S/C3H2BrClO/c4-3-2(1-5)6-3/h1H2InChIKey=XKGVHETVMRDEKE-UHFFFAOYSA-N177.5Ex 177.52(BP est) 2.34(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1CCl 2.3PredN
C(=O)C(Br)=C(Cl)8870169.402C3H2BrClO2-bromo-3-chloroacrylaldehydeN86C(=O)C(Br)=C(Cl)InChI=1S/C3H2BrClO/c4-3(1-5)2-6/h1-2HInChIKey=CXHIPLDGKNKSDC-UHFFFAOYSA-N171.2Ex 171.24(BP est) -25.29(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)=C(Cl) -25.3PredN
OC(Cl)(C#CBr)8871169.402C3H2BrClO3-bromo-1-chloroprop-2-yn-1-olN86OC(Cl)(C#CBr)InChI=1S/C3H2BrClO/c4-2-1-3(5)6/h3,6HInChIKey=NINFRGXUKYEETK-UHFFFAOYSA-N204.1Ex 204.08(BP est) 27.14(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C#CBr) 27.1PredN
C(=O)C(Cl)=C(Br)8872169.402C3H2BrClO3-bromo-2-chloroacrylaldehydeN86C(=O)C(Cl)=C(Br)InChI=1S/C3H2BrClO/c4-1-3(5)2-6/h1-2HInChIKey=MAMXGOMTLZINHR-UHFFFAOYSA-N171.2Ex 171.24(BP est) -25.29(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)=C(Br) -25.3PredN
C(=O)C=C(Br)(Cl)8873169.402C3H2BrClO3-bromo-3-chloroacrylaldehydeN86C(=O)C=C(Br)(Cl)InChI=1S/C3H2BrClO/c4-3(5)1-2-6/h1-2HInChIKey=LTIFHVBOSAKZQU-UHFFFAOYSA-N171.2Ex 171.24(BP est) -25.29(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(Br)(Cl) -25.3PredN
BrC(Cl)C1CC18874169.446C4H6BrCl(bromochloromethyl)cyclopropaneN126BrC(Cl)C1CC1InChI=1S/C4H6BrCl/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=LVEUMPAEAHLXGA-UHFFFAOYSA-N141.4Ex 141.39(BP est) -38.38(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1CC1 -38.4PredN
ClC1(CC1)CBr8875169.446C4H6BrCl1-(bromomethyl)-1-chlorocyclopropaneN126ClC1(CC1)CBrInChI=1S/C4H6BrCl/c5-3-4(6)1-2-4/h1-3H2InChIKey=CJSWRUBKMFZEGP-UHFFFAOYSA-N130.8Ex 130.77(BP est) -22.03(MP est) ----(BP exp) ----(MP exp) ClC1(CC1)CBr -22PredN
BrCC1CC1Cl8876169.446C4H6BrCl1-(bromomethyl)-2-chlorocyclopropaneN126BrCC1CC1ClInChI=1S/C4H6BrCl/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=JDKHZYRZIVSPNZ-UHFFFAOYSA-N148.4Ex 148.36(BP est) -30.97(MP est) ----(BP exp) ----(MP exp) BrCC1CC1Cl -31PredN
BrC1(CC1)CCl8877169.446C4H6BrCl1-bromo-1-(chloromethyl)cyclopropaneN126BrC1(CC1)CClInChI=1S/C4H6BrCl/c5-4(3-6)1-2-4/h1-3H2InChIKey=CXSYGGSGGNRFMC-UHFFFAOYSA-N155.1Ex 155.13(BP est) -14.92(MP est) ----(BP exp) ----(MP exp) BrC1(CC1)CCl -14.9PredN
CC1CC1(Cl)Br8878169.446C4H6BrCl1-bromo-1-chloro-2-methylcyclopropaneN126CC1CC1(Cl)BrInChI=1S/C4H6BrCl/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=IKACSLGGQLZTEY-UHFFFAOYSA-N124.1Ex 124.12(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) CC1CC1(Cl)Br -26.1PredN
BrC(Cl)=C(C)C8879169.446C4H6BrCl1-bromo-1-chloro-2-methylprop-1-eneN126BrC(Cl)=C(C)CInChI=1S/C4H6BrCl/c1-3(2)4(5)6/h1-2H3InChIKey=NBDZKPSJTXNGQE-UHFFFAOYSA-N131.5Ex 131.48(BP est) -59.25(MP est) ----(BP exp) ----(MP exp) BrC(Cl)=C(C)C -59.3PredN
CCC=C(Cl)Br8880169.446C4H6BrCl1-bromo-1-chlorobut-1-eneN126CCC=C(Cl)BrInChI=1S/C4H6BrCl/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=LSBSTDOEUPUHBE-UHFFFAOYSA-N137.7Ex 137.67(BP est) -50.46(MP est) ----(BP exp) ----(MP exp) CCC=C(Cl)Br -50.5PredN
CC=CC(Cl)Br8881169.446C4H6BrCl1-bromo-1-chlorobut-2-eneN126CC=CC(Cl)BrInChI=1S/C4H6BrCl/c1-2-3-4(5)6/h2-4H,1H3InChIKey=ROSQEEYYUVVSOW-UHFFFAOYSA-N144.5Ex 144.47(BP est) -48.99(MP est) ----(BP exp) ----(MP exp) CC=CC(Cl)Br -49PredN
BrC1(Cl)CCC18882169.446C4H6BrCl1-bromo-1-chlorocyclobutaneN126BrC1(Cl)CCC1InChI=1S/C4H6BrCl/c5-4(6)2-1-3-4/h1-3H2InChIKey=XSCXKWZUJRRLIL-UHFFFAOYSA-N132.9Ex 132.86(BP est) -23.18(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CCC1 -23.2PredN
C(CCl)(C1)(C1Br)8883169.446C4H6BrCl1-bromo-2-(chloromethyl)cyclopropaneN126C(CCl)(C1)(C1Br)InChI=1S/C4H6BrCl/c5-4-1-3(4)2-6/h3-4H,1-2H2InChIKey=ZWVGHLJSROOWQH-UHFFFAOYSA-N160.3Ex 160.30(BP est) -27.48(MP est) ----(BP exp) ----(MP exp) C(CCl)(C1)(C1Br) -27.5PredN
BrC1(CC1Cl)C8884169.446C4H6BrCl1-bromo-2-chloro-1-methylcyclopropaneN126BrC1(CC1Cl)CInChI=1S/C4H6BrCl/c1-4(5)2-3(4)6/h3H,2H2,1H3InChIKey=AXSRFFJCDDPLFI-UHFFFAOYSA-N136.6Ex 136.55(BP est) -22.46(MP est) ----(BP exp) ----(MP exp) BrC1(CC1Cl)C -22.5PredN
CC1C(Cl)C1Br8885169.446C4H6BrCl1-bromo-2-chloro-3-methylcyclopropaneN126CC1C(Cl)C1BrInChI=1S/C4H6BrCl/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=MOMCLVOSBUHDQQ-UHFFFAOYSA-N141.9Ex 141.90(BP est) -34.97(MP est) ----(BP exp) ----(MP exp) CC1C(Cl)C1Br -35PredN
CCC(Cl)=CBr8886169.446C4H6BrCl1-bromo-2-chlorobut-1-eneN126CCC(Cl)=CBrInChI=1S/C4H6BrCl/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=MWNGWDXCPHAYOE-UHFFFAOYSA-N137.7Ex 137.67(BP est) -50.46(MP est) ----(BP exp) ----(MP exp) CCC(Cl)=CBr -50.5PredN
CC=C(CBr)Cl8887169.446C4H6BrCl1-bromo-2-chlorobut-2-eneN126CC=C(CBr)ClInChI=1S/C4H6BrCl/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=WIWGMXHERUKIJG-UHFFFAOYSA-N137.7Ex 137.67(BP est) -50.46(MP est) ----(BP exp) ----(MP exp) CC=C(CBr)Cl -50.5PredN
ClC1CCC1Br8888169.446C4H6BrCl1-bromo-2-chlorocyclobutaneN126ClC1CCC1BrInChI=1S/C4H6BrCl/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=GOBLGIRPQNZERZ-UHFFFAOYSA-N150.4Ex 150.38(BP est) -32.14(MP est) ----(BP exp) ----(MP exp) ClC1CCC1Br -32.1PredN
C(Br)=C(C)(CCl)8889169.446C4H6BrCl1-bromo-3-chloro-2-methylprop-1-eneN126C(Br)=C(C)(CCl)InChI=1S/C4H6BrCl/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=PIDJASCEKJREPQ-UHFFFAOYSA-N163.6Ex 163.64(BP est) -42.88(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C)(CCl) -42.9PredN
CC(C=CBr)Cl8890169.446C4H6BrCl1-bromo-3-chlorobut-1-eneN126CC(C=CBr)ClInChI=1S/C4H6BrCl/c1-4(6)2-3-5/h2-4H,1H3InChIKey=UHHVHSUMQAGKGR-UHFFFAOYSA-N144.5Ex 144.47(BP est) -48.99(MP est) ----(BP exp) ----(MP exp) CC(C=CBr)Cl -49PredN
BrCC=C(C)Cl8891169.446C4H6BrCl1-bromo-3-chlorobut-2-eneN126BrCC=C(C)ClInChI=1S/C4H6BrCl/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=FMVAGJFXZXHXHY-UHFFFAOYSA-N137.7Ex 137.67(BP est) -50.46(MP est) ----(BP exp) ----(MP exp) BrCC=C(C)Cl -50.5PredN
ClC(C1)CC1Br8892169.446C4H6BrCl1-bromo-3-chlorocyclobutaneN126ClC(C1)CC1BrInChI=1S/C4H6BrCl/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=NWKWULMAMXIPAO-UHFFFAOYSA-N150.4Ex 150.38(BP est) -32.14(MP est) ----(BP exp) ----(MP exp) ClC(C1)CC1Br -32.1PredN
C(Cl)(CC=CBr)8893169.446C4H6BrCl1-bromo-4-chlorobut-1-eneN126C(Cl)(CC=CBr)InChI=1S/C4H6BrCl/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=WOLCEETZOXGERP-UHFFFAOYSA-N169.5Ex 169.48(BP est) -34.19(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC=CBr) -34.2PredN
C(CCl)=C(CBr)8894169.446C4H6BrCl1-bromo-4-chlorobut-2-eneN126C(CCl)=C(CBr)InChI=1S/C4H6BrCl/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=KGRDKGJNOYVKPM-UHFFFAOYSA-N169.5Ex 169.48(BP est) -34.19(MP est) ----(BP exp) ----(MP exp) C(CCl)=C(CBr) -34.2PredN
ClC1(CC1Br)C8895169.446C4H6BrCl2-bromo-1-chloro-1-methylcyclopropaneN126ClC1(CC1Br)CInChI=1S/C4H6BrCl/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=KDWQIVMBQZIQEB-UHFFFAOYSA-N124.1Ex 124.12(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) ClC1(CC1Br)C -26.1PredN
CCC(Br)=CCl8896169.446C4H6BrCl2-bromo-1-chlorobut-1-eneN126CCC(Br)=CClInChI=1S/C4H6BrCl/c1-2-4(5)3-6/h3H,2H2,1H3InChIKey=RVMUPLVJXNPQRK-UHFFFAOYSA-N137.7Ex 137.67(BP est) -50.46(MP est) ----(BP exp) ----(MP exp) CCC(Br)=CCl -50.5PredN
C(C)=C(Br)(CCl)8897169.446C4H6BrCl2-bromo-1-chlorobut-2-eneN126C(C)=C(Br)(CCl)InChI=1S/C4H6BrCl/c1-2-4(5)3-6/h2H,3H2,1H3InChIKey=UWDWUOGTIQWRQT-UHFFFAOYSA-N163.6Ex 163.64(BP est) -42.88(MP est) ----(BP exp) ----(MP exp) C(C)=C(Br)(CCl) -42.9PredN
CC(C(Br)=C)Cl8899169.446C4H6BrCl2-bromo-3-chlorobut-1-eneN126CC(C(Br)=C)ClInChI=1S/C4H6BrCl/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=IEWAVLLMAOFBAL-UHFFFAOYSA-N129.7Ex 129.66(BP est) -58.64(MP est) ----(BP exp) ----(MP exp) CC(C(Br)=C)Cl -58.6PredN
ClC(C)=C(C)Br8900169.446C4H6BrCl2-bromo-3-chlorobut-2-eneN126ClC(C)=C(C)BrInChI=1S/C4H6BrCl/c1-3(5)4(2)6/h1-2H3InChIKey=RQBDCNJQWARGOU-UHFFFAOYSA-N131.5Ex 131.48(BP est) -59.25(MP est) ----(BP exp) ----(MP exp) ClC(C)=C(C)Br -59.3PredN
ClCCC(Br)=C8901169.446C4H6BrCl2-bromo-4-chlorobut-1-eneN126ClCCC(Br)=CInChI=1S/C4H6BrCl/c1-4(5)2-3-6/h1-3H2InChIKey=VRVKZPVXEQJBSE-UHFFFAOYSA-N155.4Ex 155.35(BP est) -43.64(MP est) ----(BP exp) ----(MP exp) ClCCC(Br)=C -43.6PredN
ClC=C(CBr)C8902169.446C4H6BrCl3-bromo-1-chloro-2-methylprop-1-eneN126ClC=C(CBr)CInChI=1S/C4H6BrCl/c1-4(2-5)3-6/h3H,2H2,1H3InChIKey=BBWLJJCDHDQRJI-UHFFFAOYSA-N137.7Ex 137.67(BP est) -50.46(MP est) ----(BP exp) ----(MP exp) ClC=C(CBr)C -50.5PredN
CC(C=CCl)Br8903169.446C4H6BrCl3-bromo-1-chlorobut-1-eneN126CC(C=CCl)BrInChI=1S/C4H6BrCl/c1-4(5)2-3-6/h2-4H,1H3InChIKey=JBFROCOYMZXIFP-UHFFFAOYSA-N130.2Ex 130.18(BP est) -53.17(MP est) ----(BP exp) ----(MP exp) CC(C=CCl)Br -53.2PredN
C(CCl)=C(Br)(C)8904169.446C4H6BrCl3-bromo-1-chlorobut-2-eneN126C(CCl)=C(Br)(C)InChI=1S/C4H6BrCl/c1-4(5)2-3-6/h2H,3H2,1H3InChIKey=YVMHBTRXQAGMLW-UHFFFAOYSA-N163.6Ex 163.64(BP est) -42.88(MP est) ----(BP exp) ----(MP exp) C(CCl)=C(Br)(C) -42.9PredN
C=C(CBr)CCl8905169.446C4H6BrCl3-bromo-2-(chloromethyl)prop-1-eneN126C=C(CBr)CClInChI=1S/C4H6BrCl/c1-4(2-5)3-6/h1-3H2InChIKey=PCSRVMJWQPZNEF-UHFFFAOYSA-N155.4Ex 155.35(BP est) -43.64(MP est) ----(BP exp) ----(MP exp) C=C(CBr)CCl -43.6PredN
CC(C(Cl)=C)Br8906169.446C4H6BrCl3-bromo-2-chlorobut-1-eneN126CC(C(Cl)=C)BrInChI=1S/C4H6BrCl/c1-3(5)4(2)6/h3H,2H2,1H3InChIKey=QESXSTPQENSVPW-UHFFFAOYSA-N115.0Ex 114.99(BP est) -62.92(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)=C)Br -62.9PredN
C=C(C(Cl)Br)C8907169.446C4H6BrCl3-bromo-3-chloro-2-methylprop-1-eneN126C=C(C(Cl)Br)CInChI=1S/C4H6BrCl/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=SJLXJLHXDXOONZ-UHFFFAOYSA-N129.7Ex 129.66(BP est) -58.64(MP est) ----(BP exp) ----(MP exp) C=C(C(Cl)Br)C -58.6PredN
CC(Cl)(C=C)Br8908169.446C4H6BrCl3-bromo-3-chlorobut-1-eneN126CC(Cl)(C=C)BrInChI=1S/C4H6BrCl/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=YPYAKWSAPIXWIP-UHFFFAOYSA-N114.2Ex 114.18(BP est) -47.47(MP est) ----(BP exp) ----(MP exp) CC(Cl)(C=C)Br -47.5PredN
ClCC(C=C)Br8909169.446C4H6BrCl3-bromo-4-chlorobut-1-eneN126ClCC(C=C)BrInChI=1S/C4H6BrCl/c1-2-4(5)3-6/h2,4H,1,3H2InChIKey=ULJOUTAGZYZIHO-UHFFFAOYSA-N148.1Ex 148.09(BP est) -46.28(MP est) ----(BP exp) ----(MP exp) ClCC(C=C)Br -46.3PredN
BrCCC=CCl8910169.446C4H6BrCl4-bromo-1-chlorobut-1-eneN126BrCCC=CClInChI=1S/C4H6BrCl/c5-3-1-2-4-6/h2,4H,1,3H2InChIKey=LDQYPWBVQCIYNQ-UHFFFAOYSA-N143.8Ex 143.80(BP est) -41.69(MP est) ----(BP exp) ----(MP exp) BrCCC=CCl -41.7PredN
BrCCC(Cl)=C8911169.446C4H6BrCl4-bromo-2-chlorobut-1-eneN126BrCCC(Cl)=CInChI=1S/C4H6BrCl/c1-4(6)2-3-5/h1-3H2InChIKey=DBYONURKPLKMMM-UHFFFAOYSA-N129.0Ex 128.97(BP est) -51.34(MP est) ----(BP exp) ----(MP exp) BrCCC(Cl)=C -51.3PredN
BrCC(C=C)Cl8912169.446C4H6BrCl4-bromo-3-chlorobut-1-eneN126BrCC(C=C)ClInChI=1S/C4H6BrCl/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=KNWCYBOTDFFCMA-UHFFFAOYSA-N135.9Ex 135.87(BP est) -49.84(MP est) ----(BP exp) ----(MP exp) BrCC(C=C)Cl -49.8PredN
BrC(CC=C)Cl8913169.446C4H6BrCl4-bromo-4-chlorobut-1-eneN126BrC(CC=C)ClInChI=1S/C4H6BrCl/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=MEQLEYMGNVANEL-UHFFFAOYSA-N135.9Ex 135.87(BP est) -49.84(MP est) ----(BP exp) ----(MP exp) BrC(CC=C)Cl -49.8PredN
C(I)#C(F)8916169.925C2FI1-fluoro-2-iodoethyneN44C(I)#C(F)InChI=1S/C2FI/c3-1-2-4InChIKey=QJZQOIZHJPTSHY-UHFFFAOYSA-N108.7Ex 108.73(BP est) -23.14(MP est) ----(BP exp) ----(MP exp) C(I)#C(F) -23.1PredN
O=CCI8918169.949C2H3IO2-iodoacetaldehydeN74O=CCIInChI=1S/C2H3IO/c3-1-2-4/h2H,1H2InChIKey=XQCWOAMYQRDOQY-UHFFFAOYSA-N148.0Ex 147.99(BP est) -44.02(MP est) ----(BP exp) ----(MP exp) O=CCI -44PredN
IC1CO18919169.949C2H3IO2-iodooxiraneN74IC1CO1InChI=1S/C2H3IO/c3-2-1-4-2/h2H,1H2InChIKey=DCQBRNUZXBICPR-UHFFFAOYSA-N123.2Ex 123.20(BP est) -50.01(MP est) ----(BP exp) ----(MP exp) IC1CO1 -50PredN
CCCI8920169.993C3H7I1-iodopropaneN114CCCIInChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3InChIKey=PVWOIHVRPOBWPI-UHFFFAOYSA-N102.1Ex 112.93(BP est) -69.63(MP est) 102.60(BP exp) -101.30(MP exp) CCCI -101.3ExptY(Laturnus 2001)
CC(C)I8921169.993C3H7I2-iodopropaneN114CC(C)IInChI=1S/C3H7I/c1-3(2)4/h3H,1-2H3InChIKey=FMKOJHQHASLBPH-UHFFFAOYSA-N89.3Ex 98.58(BP est) -81.32(MP est) 89.50(BP exp) -90.00(MP exp) CC(C)I -90ExptY(Kladi et al. 2004)
NC(Cl)(C=C)Br8925170.434C3H5BrClN1-bromo-1-chloroprop-2-en-1-amineN116NC(Cl)(C=C)BrInChI=1S/C3H5BrClN/c1-2-3(4,5)6/h2H,1,6H2InChIKey=BBTLFBZZZZHWHD-UHFFFAOYSA-N151.7Ex 151.74(BP est) -0.51(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C=C)Br -0.5PredN
NC(Br)(C1)(C1Cl)8926170.434C3H5BrClN1-bromo-2-chlorocyclopropan-1-amineN116NC(Br)(C1)(C1Cl)InChI=1S/C3H5BrClN/c4-3(6)1-2(3)5/h2H,1,6H2InChIKey=QFGCZLSAWMVOIN-UHFFFAOYSA-N172.7Ex 172.66(BP est) 24.07(MP est) ----(BP exp) ----(MP exp) NC(Br)(C1)(C1Cl) 24.1PredN
NC(C(Cl)=C)Br8927170.434C3H5BrClN1-bromo-2-chloroprop-2-en-1-amineN116NC(C(Cl)=C)BrInChI=1S/C3H5BrClN/c1-2(5)3(4)6/h3H,1,6H2InChIKey=LPLBOZCOXPZLKS-UHFFFAOYSA-N152.5Ex 152.50(BP est) -15.97(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)=C)Br -16PredN
NC(Br)(C=CCl)8928170.434C3H5BrClN1-bromo-3-chloroprop-2-en-1-amineN116NC(Br)(C=CCl)InChI=1S/C3H5BrClN/c4-3(6)1-2-5/h1-3H,6H2InChIKey=HPBVYWQOGQFTEP-UHFFFAOYSA-N166.7Ex 166.70(BP est) -6.51(MP est) ----(BP exp) ----(MP exp) NC(Br)(C=CCl) -6.5PredN
BrC(Cl)C1CN18929170.434C3H5BrClN2-(bromochloromethyl)aziridineN116BrC(Cl)C1CN1InChI=1S/C3H5BrClN/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=BTGPZAFBEFRBRX-UHFFFAOYSA-N176.4Ex 176.36(BP est) 18.71(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1CN1 18.7PredN
ClC1(CBr)CN18930170.434C3H5BrClN2-(bromomethyl)-2-chloroaziridineN116ClC1(CBr)CN1InChI=1S/C3H5BrClN/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=YTOMUWQYXXBTNQ-UHFFFAOYSA-N166.4Ex 166.43(BP est) 9.39(MP est) ----(BP exp) ----(MP exp) ClC1(CBr)CN1 9.4PredN
ClC1C(CBr)N18931170.434C3H5BrClN2-(bromomethyl)-3-chloroaziridineN116ClC1C(CBr)N1InChI=1S/C3H5BrClN/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=PKKGQPUXAQUGRV-UHFFFAOYSA-N182.9Ex 182.87(BP est) 25.99(MP est) ----(BP exp) ----(MP exp) ClC1C(CBr)N1 26PredN
NC(Cl)(C1)(C1Br)8932170.434C3H5BrClN2-bromo-1-chlorocyclopropan-1-amineN116NC(Cl)(C1)(C1Br)InChI=1S/C3H5BrClN/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=QPWPIVVTSYBTRF-UHFFFAOYSA-N161.0Ex 161.03(BP est) 20.68(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C1)(C1Br) 20.7PredN
NC(Cl)(C(Br)=C)8933170.434C3H5BrClN2-bromo-1-chloroprop-2-en-1-amineN116NC(Cl)(C(Br)=C)InChI=1S/C3H5BrClN/c1-2(4)3(5)6/h3H,1,6H2InChIKey=GKFWEKZXULVBMD-UHFFFAOYSA-N166.2Ex 166.22(BP est) -11.97(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Br)=C) -12PredN
BrC1(CCl)CN18934170.434C3H5BrClN2-bromo-2-(chloromethyl)aziridineN116BrC1(CCl)CN1InChI=1S/C3H5BrClN/c4-3(1-5)2-6-3/h6H,1-2H2InChIKey=OKXGQBQXMKOQTN-UHFFFAOYSA-N189.2Ex 189.20(BP est) 19.36(MP est) ----(BP exp) ----(MP exp) BrC1(CCl)CN1 19.4PredN
BrC1(Cl)C(C)N18935170.434C3H5BrClN2-bromo-2-chloro-3-methylaziridineN116BrC1(Cl)C(C)N1InChI=1S/C3H5BrClN/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=LNCRFWUHFBUCNC-UHFFFAOYSA-N160.2Ex 160.20(BP est) 5.60(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C(C)N1 5.6PredN
BrC1(Cl)NCC18936170.434C3H5BrClN2-bromo-2-chloroazetidineN116BrC1(Cl)NCC1InChI=1S/C3H5BrClN/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=VBIIRGMOGJSNSD-UHFFFAOYSA-N168.4Ex 168.39(BP est) 9.36(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)NCC1 9.4PredN
NC(C1)(C1(Br)Cl)8937170.434C3H5BrClN2-bromo-2-chlorocyclopropan-1-amineN116NC(C1)(C1(Br)Cl)InChI=1S/C3H5BrClN/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=SGBVRDOZCVTTHB-UHFFFAOYSA-N161.0Ex 161.03(BP est) 20.68(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(Br)Cl) 20.7PredN
BrC1C(CCl)N18938170.434C3H5BrClN2-bromo-3-(chloromethyl)aziridineN116BrC1C(CCl)N1InChI=1S/C3H5BrClN/c4-3-2(1-5)6-3/h2-3,6H,1H2InChIKey=HIOZAMCAIXZXPJ-UHFFFAOYSA-N194.0Ex 194.02(BP est) 29.24(MP est) ----(BP exp) ----(MP exp) BrC1C(CCl)N1 29.2PredN
ClC1C(Br)(C)N18939170.434C3H5BrClN2-bromo-3-chloro-2-methylaziridineN116ClC1C(Br)(C)N1InChI=1S/C3H5BrClN/c1-3(4)2(5)6-3/h2,6H,1H3InChIKey=AEHPHDKWPHVRAD-UHFFFAOYSA-N171.8Ex 171.84(BP est) 10.70(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(C)N1 10.7PredN
BrC1NCC1Cl8940170.434C3H5BrClN2-bromo-3-chloroazetidineN116BrC1NCC1ClInChI=1S/C3H5BrClN/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=PCTOXZFNGMWEOV-UHFFFAOYSA-N184.8Ex 184.77(BP est) 24.78(MP est) ----(BP exp) ----(MP exp) BrC1NCC1Cl 24.8PredN
NC(C1Cl)(C1Br)8941170.434C3H5BrClN2-bromo-3-chlorocyclopropan-1-amineN116NC(C1Cl)(C1Br)InChI=1S/C3H5BrClN/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=RPZJPYFDOBGSFR-UHFFFAOYSA-N177.7Ex 177.66(BP est) 11.46(MP est) ----(BP exp) ----(MP exp) NC(C1Cl)(C1Br) 11.5PredN
NC(C(Br)=CCl)8942170.434C3H5BrClN2-bromo-3-chloroprop-2-en-1-amineN116NC(C(Br)=CCl)InChI=1S/C3H5BrClN/c4-3(1-5)2-6/h1H,2,6H2InChIKey=NNCKBMXTQNSWIJ-UHFFFAOYSA-N173.7Ex 173.70(BP est) -3.94(MP est) ----(BP exp) ----(MP exp) NC(C(Br)=CCl) -3.9PredN
ClC1CC(Br)N18943170.434C3H5BrClN2-bromo-4-chloroazetidineN116ClC1CC(Br)N1InChI=1S/C3H5BrClN/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=VZENSCKDWYCAQN-UHFFFAOYSA-N184.8Ex 184.77(BP est) 24.78(MP est) ----(BP exp) ----(MP exp) ClC1CC(Br)N1 24.8PredN
NC(Cl)(C=CBr)8944170.434C3H5BrClN3-bromo-1-chloroprop-2-en-1-amineN116NC(Cl)(C=CBr)InChI=1S/C3H5BrClN/c4-2-1-3(5)6/h1-3H,6H2InChIKey=OPCMMELOPKAXKR-UHFFFAOYSA-N180.1Ex 180.05(BP est) -2.61(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C=CBr) -2.6PredN
BrC1C(Cl)(C)N18945170.434C3H5BrClN3-bromo-2-chloro-2-methylaziridineN116BrC1C(Cl)(C)N1InChI=1S/C3H5BrClN/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=PELNENCHAJYWIE-UHFFFAOYSA-N160.2Ex 160.20(BP est) 5.60(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(C)N1 5.6PredN
ClC1NCC1Br8946170.434C3H5BrClN3-bromo-2-chloroazetidineN116ClC1NCC1BrInChI=1S/C3H5BrClN/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=KLNLLTIPYHBWLJ-UHFFFAOYSA-N184.8Ex 184.77(BP est) 24.78(MP est) ----(BP exp) ----(MP exp) ClC1NCC1Br 24.8PredN
NC(C(Cl)=CBr)8947170.434C3H5BrClN3-bromo-2-chloroprop-2-en-1-amineN116NC(C(Cl)=CBr)InChI=1S/C3H5BrClN/c4-1-3(5)2-6/h1H,2,6H2InChIKey=VNUSUAWCVJVWCG-UHFFFAOYSA-N173.7Ex 173.70(BP est) -3.94(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)=CBr) -3.9PredN
BrC1(Cl)CNC18948170.434C3H5BrClN3-bromo-3-chloroazetidineN116BrC1(Cl)CNC1InChI=1S/C3H5BrClN/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=QGOSTXVYYXPGBE-UHFFFAOYSA-N168.4Ex 168.39(BP est) 9.36(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CNC1 9.4PredN
NC(C=C(Br)Cl)8949170.434C3H5BrClN3-bromo-3-chloroprop-2-en-1-amineN116NC(C=C(Br)Cl)InChI=1S/C3H5BrClN/c4-3(5)1-2-6/h1H,2,6H2InChIKey=RUAAYXWONULDRA-UHFFFAOYSA-N173.7Ex 173.70(BP est) -3.94(MP est) ----(BP exp) ----(MP exp) NC(C=C(Br)Cl) -3.9PredN
O=PC(Br)=CF8952170.905C2HBrFOP(1-bromo-2-fluorovinyl)(oxo)phosphaneN76O=PC(Br)=CFInChI=1S/C2HBrFOP/c3-2(1-4)6-5/h1HInChIKey=WSUKIKYQLCCVLS-UHFFFAOYSA-N162.3Ex 162.34(BP est) -36.01(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=CF -36PredN
O=PC(F)=CBr8953170.905C2HBrFOP(2-bromo-1-fluorovinyl)(oxo)phosphaneN76O=PC(F)=CBrInChI=1S/C2HBrFOP/c3-1-2(4)6-5/h1HInChIKey=MSEKAZBGSKPXTH-UHFFFAOYSA-N162.3Ex 162.34(BP est) -36.01(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CBr -36PredN
O=PC=C(Br)F8954170.905C2HBrFOP(2-bromo-2-fluorovinyl)(oxo)phosphaneN76O=PC=C(Br)FInChI=1S/C2HBrFOP/c3-2(4)1-6-5/h1HInChIKey=AYRNBAFPPJKKHZ-UHFFFAOYSA-N162.3Ex 162.34(BP est) -36.01(MP est) ----(BP exp) ----(MP exp) O=PC=C(Br)F -36PredN
O=P(C(Br)=C)O8955170.93C2H4BrO2P(1-bromovinyl)phosphinic acidN106O=P(C(Br)=C)OInChI=1S/C2H4BrO2P/c1-2(3)6(4)5/h6H,1H2,(H,4,5)InChIKey=OPBWMFOZOWYJRS-UHFFFAOYSA-N239.7Ex 239.65(BP est) 10.15(MP est) ----(BP exp) ----(MP exp) O=P(C(Br)=C)O 10.2PredN
O=P(C=CBr)O8956170.93C2H4BrO2P(2-bromovinyl)phosphinic acidN106O=P(C=CBr)OInChI=1S/C2H4BrO2P/c3-1-2-6(4)5/h1-2,6H,(H,4,5)InChIKey=VBQUMTIQGJPZJV-UHFFFAOYSA-N251.3Ex 251.27(BP est) 18.87(MP est) ----(BP exp) ----(MP exp) O=P(C=CBr)O 18.9PredN
O=P1(O)C(Br)C18957170.93C2H4BrO2P2-bromo-1-hydroxyphosphirane 1-oxideN106O=P1(O)C(Br)C1InChI=1S/C2H4BrO2P/c3-2-1-6(2,4)5/h2H,1H2,(H,4,5)InChIKey=ZFGPOZKPJODCHJ-UHFFFAOYSA-N245.6Ex 245.61(BP est) 22.30(MP est) ----(BP exp) ----(MP exp) O=P1(O)C(Br)C1 22.3PredN
PC(C=C)(Br)F8958170.949C3H5BrFP(1-bromo-1-fluoroallyl)phosphaneN116PC(C=C)(Br)FInChI=1S/C3H5BrFP/c1-2-3(4,5)6/h2H,1,6H2InChIKey=PXFMYSIJVSVBAG-UHFFFAOYSA-N115.2Ex 115.18(BP est) -51.79(MP est) ----(BP exp) ----(MP exp) PC(C=C)(Br)F -51.8PredN
PC(Br)C(F)=C8959170.949C3H5BrFP(1-bromo-2-fluoroallyl)phosphaneN116PC(Br)C(F)=CInChI=1S/C3H5BrFP/c1-2(5)3(4)6/h3H,1,6H2InChIKey=HTYFRFFEHJHUAH-UHFFFAOYSA-N118.1Ex 118.07(BP est) -66.64(MP est) ----(BP exp) ----(MP exp) PC(Br)C(F)=C -66.6PredN
CPC(Br)=CF8960170.949C3H5BrFP(1-bromo-2-fluorovinyl)(methyl)phosphaneN116CPC(Br)=CFInChI=1S/C3H5BrFP/c1-6-3(4)2-5/h2,6H,1H3InChIKey=IZLUFQBXQZDVMG-UHFFFAOYSA-N121.0Ex 121.01(BP est) -68.12(MP est) ----(BP exp) ----(MP exp) CPC(Br)=CF -68.1PredN
PC(Br)C=CF8961170.949C3H5BrFP(1-bromo-3-fluoroallyl)phosphaneN116PC(Br)C=CFInChI=1S/C3H5BrFP/c4-3(6)1-2-5/h1-3H,6H2InChIKey=PUWZQJJZRKLWDS-UHFFFAOYSA-N133.2Ex 133.17(BP est) -56.91(MP est) ----(BP exp) ----(MP exp) PC(Br)C=CF -56.9PredN
FCPC(Br)=C8962170.949C3H5BrFP(1-bromovinyl)(fluoromethyl)phosphaneN116FCPC(Br)=CInChI=1S/C3H5BrFP/c1-3(4)6-2-5/h6H,1-2H2InChIKey=TVOGTKIGPDIETH-UHFFFAOYSA-N112.1Ex 112.05(BP est) -69.08(MP est) ----(BP exp) ----(MP exp) FCPC(Br)=C -69.1PredN
PC(F)C(Br)=C8963170.949C3H5BrFP(2-bromo-1-fluoroallyl)phosphaneN116PC(F)C(Br)=CInChI=1S/C3H5BrFP/c1-2(4)3(5)6/h3H,1,6H2InChIKey=WKADBXIBDLOXDE-UHFFFAOYSA-N118.1Ex 118.07(BP est) -66.64(MP est) ----(BP exp) ----(MP exp) PC(F)C(Br)=C -66.6PredN
CPC(F)=CBr8964170.949C3H5BrFP(2-bromo-1-fluorovinyl)(methyl)phosphaneN116CPC(F)=CBrInChI=1S/C3H5BrFP/c1-6-3(5)2-4/h2,6H,1H3InChIKey=ZXIOJFSHGRBISP-UHFFFAOYSA-N121.0Ex 121.01(BP est) -68.12(MP est) ----(BP exp) ----(MP exp) CPC(F)=CBr -68.1PredN
CPC=C(Br)F8965170.949C3H5BrFP(2-bromo-2-fluorovinyl)(methyl)phosphaneN116CPC=C(Br)FInChI=1S/C3H5BrFP/c1-6-2-3(4)5/h2,6H,1H3InChIKey=WJTDWJKYEIWOPM-UHFFFAOYSA-N121.0Ex 121.01(BP est) -68.12(MP est) ----(BP exp) ----(MP exp) CPC=C(Br)F -68.1PredN
PCC(Br)=CF8966170.949C3H5BrFP(2-bromo-3-fluoroallyl)phosphaneN116PCC(Br)=CFInChI=1S/C3H5BrFP/c4-3(1-5)2-6/h1H,2,6H2InChIKey=YCPXFIPAXXIHNZ-UHFFFAOYSA-N140.6Ex 140.63(BP est) -54.21(MP est) ----(BP exp) ----(MP exp) PCC(Br)=CF -54.2PredN
FCPC=CBr8967170.949C3H5BrFP(2-bromovinyl)(fluoromethyl)phosphaneN116FCPC=CBrInChI=1S/C3H5BrFP/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=IVRONIQJRQXZBD-UHFFFAOYSA-N127.3Ex 127.31(BP est) -59.30(MP est) ----(BP exp) ----(MP exp) FCPC=CBr -59.3PredN
PC(F)C=CBr8968170.949C3H5BrFP(3-bromo-1-fluoroallyl)phosphaneN116PC(F)C=CBrInChI=1S/C3H5BrFP/c4-2-1-3(5)6/h1-3H,6H2InChIKey=GGOTYSGTOXXQTK-UHFFFAOYSA-N133.2Ex 133.17(BP est) -56.91(MP est) ----(BP exp) ----(MP exp) PC(F)C=CBr -56.9PredN
PCC(F)=CBr8969170.949C3H5BrFP(3-bromo-2-fluoroallyl)phosphaneN116PCC(F)=CBrInChI=1S/C3H5BrFP/c4-1-3(5)2-6/h1H,2,6H2InChIKey=NMAJMHFVWOGQSY-UHFFFAOYSA-N140.6Ex 140.63(BP est) -54.21(MP est) ----(BP exp) ----(MP exp) PCC(F)=CBr -54.2PredN
PCC=C(Br)F8970170.949C3H5BrFP(3-bromo-3-fluoroallyl)phosphaneN116PCC=C(Br)FInChI=1S/C3H5BrFP/c4-3(5)1-2-6/h1H,2,6H2InChIKey=YNBWHKKXQZTGOO-UHFFFAOYSA-N140.6Ex 140.63(BP est) -54.21(MP est) ----(BP exp) ----(MP exp) PCC=C(Br)F -54.2PredN
BrC(PC=C)F8971170.949C3H5BrFP(bromofluoromethyl)(vinyl)phosphaneN116BrC(PC=C)FInChI=1S/C3H5BrFP/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=HVKAVAAOLUKIIR-UHFFFAOYSA-N104.2Ex 104.23(BP est) -71.88(MP est) ----(BP exp) ----(MP exp) BrC(PC=C)F -71.9PredN
BrCPC(F)=C8972170.949C3H5BrFP(bromomethyl)(1-fluorovinyl)phosphaneN116BrCPC(F)=CInChI=1S/C3H5BrFP/c1-3(5)6-2-4/h6H,1-2H2InChIKey=WMNRHAWUQOBIJD-UHFFFAOYSA-N112.1Ex 112.05(BP est) -69.08(MP est) ----(BP exp) ----(MP exp) BrCPC(F)=C -69.1PredN
BrCPC=CF8973170.949C3H5BrFP(bromomethyl)(2-fluorovinyl)phosphaneN116BrCPC=CFInChI=1S/C3H5BrFP/c4-3-6-2-1-5/h1-2,6H,3H2InChIKey=IVJBUUGMFBZIHK-UHFFFAOYSA-N127.3Ex 127.31(BP est) -59.30(MP est) ----(BP exp) ----(MP exp) BrCPC=CF -59.3PredN
BrC(P1CC1)F8974170.949C3H5BrFP1-(bromofluoromethyl)phosphiraneN116BrC(P1CC1)FInChI=1S/C3H5BrFP/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=PXMFRMDSBBOOAK-UHFFFAOYSA-N115.7Ex 115.65(BP est) -55.50(MP est) ----(BP exp) ----(MP exp) BrC(P1CC1)F -55.5PredN
BrCP1C(F)C18975170.949C3H5BrFP1-(bromomethyl)-2-fluorophosphiraneN116BrCP1C(F)C1InChI=1S/C3H5BrFP/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=PZDSSMZJCMGSNY-UHFFFAOYSA-N122.9Ex 122.94(BP est) -47.99(MP est) ----(BP exp) ----(MP exp) BrCP1C(F)C1 -48PredN
FCP1C(Br)C18976170.949C3H5BrFP2-bromo-1-(fluoromethyl)phosphiraneN116FCP1C(Br)C1InChI=1S/C3H5BrFP/c4-3-1-6(3)2-5/h3H,1-2H2InChIKey=MRJXAFMCBXTCAH-UHFFFAOYSA-N122.9Ex 122.94(BP est) -47.99(MP est) ----(BP exp) ----(MP exp) FCP1C(Br)C1 -48PredN
CP1C(F)(Br)C18977170.949C3H5BrFP2-bromo-2-fluoro-1-methylphosphiraneN116CP1C(F)(Br)C1InChI=1S/C3H5BrFP/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=VMTGBFJSMUEESW-UHFFFAOYSA-N110.6Ex 110.60(BP est) -39.65(MP est) ----(BP exp) ----(MP exp) CP1C(F)(Br)C1 -39.7PredN
BrC1(F)CCP18978170.949C3H5BrFP2-bromo-2-fluorophosphetaneN116BrC1(F)CCP1InChI=1S/C3H5BrFP/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=BXMMOTDCGDLXON-UHFFFAOYSA-N111.8Ex 111.82(BP est) -40.37(MP est) ----(BP exp) ----(MP exp) BrC1(F)CCP1 -40.4PredN
CP1C(F)C1Br8979170.949C3H5BrFP2-bromo-3-fluoro-1-methylphosphiraneN116CP1C(F)C1BrInChI=1S/C3H5BrFP/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=HALLDZDUSAXHJS-UHFFFAOYSA-N116.2Ex 116.19(BP est) -52.08(MP est) ----(BP exp) ----(MP exp) CP1C(F)C1Br -52.1PredN
BrC1C(F)CP18980170.949C3H5BrFP2-bromo-3-fluorophosphetaneN116BrC1C(F)CP1InChI=1S/C3H5BrFP/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=DAYZXFVSCMLOCI-UHFFFAOYSA-N117.4Ex 117.40(BP est) -52.81(MP est) ----(BP exp) ----(MP exp) BrC1C(F)CP1 -52.8PredN
BrC1CC(F)P18981170.949C3H5BrFP2-bromo-4-fluorophosphetaneN116BrC1CC(F)P1InChI=1S/C3H5BrFP/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=HKTAKGREXVMOIB-UHFFFAOYSA-N117.4Ex 117.40(BP est) -52.81(MP est) ----(BP exp) ----(MP exp) BrC1CC(F)P1 -52.8PredN
FC1C(Br)CP18982170.949C3H5BrFP3-bromo-2-fluorophosphetaneN116FC1C(Br)CP1InChI=1S/C3H5BrFP/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=CQWHREYEZHDNRF-UHFFFAOYSA-N117.4Ex 117.40(BP est) -52.81(MP est) ----(BP exp) ----(MP exp) FC1C(Br)CP1 -52.8PredN
BrC1(F)CPC18983170.949C3H5BrFP3-bromo-3-fluorophosphetaneN116BrC1(F)CPC1InChI=1S/C3H5BrFP/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=UTIDRXIXUVZZLT-UHFFFAOYSA-N111.8Ex 111.82(BP est) -40.37(MP est) ----(BP exp) ----(MP exp) BrC1(F)CPC1 -40.4PredN
BrC(POC)C8985170.974C3H8BrOP(1-bromoethyl)(methoxy)phosphaneN146BrC(POC)CInChI=1S/C3H8BrOP/c1-3(4)6-5-2/h3,6H,1-2H3InChIKey=BPOOHTRNLAVPBA-UHFFFAOYSA-N128.0Ex 128.00(BP est) -53.24(MP est) ----(BP exp) ----(MP exp) BrC(POC)C -53.2PredN
O=P(C)C(Br)C8986170.974C3H8BrOP(1-bromoethyl)(methyl)phosphine oxideN146O=P(C)C(Br)CInChI=1S/C3H8BrOP/c1-3(4)6(2)5/h3,6H,1-2H3InChIKey=FMQHVRPURZQXIQ-UHFFFAOYSA-N166.0Ex 166.02(BP est) -35.76(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Br)C -35.8PredN
BrCCPOC8989170.974C3H8BrOP(2-bromoethyl)(methoxy)phosphaneN146BrCCPOCInChI=1S/C3H8BrOP/c1-5-6-3-2-4/h6H,2-3H2,1H3InChIKey=JXMACSXOPKQTFP-UHFFFAOYSA-N141.7Ex 141.67(BP est) -41.75(MP est) ----(BP exp) ----(MP exp) BrCCPOC -41.8PredN
O=P(C)CCBr8990170.974C3H8BrOP(2-bromoethyl)(methyl)phosphine oxideN146O=P(C)CCBrInChI=1S/C3H8BrOP/c1-6(5)3-2-4/h6H,2-3H2,1H3InChIKey=WAQLAOPRQVCJMM-UHFFFAOYSA-N178.8Ex 178.76(BP est) -24.54(MP est) ----(BP exp) ----(MP exp) O=P(C)CCBr -24.5PredN
O=P(CBr)CC8994170.974C3H8BrOP(bromomethyl)(ethyl)phosphine oxideN146O=P(CBr)CCInChI=1S/C3H8BrOP/c1-2-6(5)3-4/h6H,2-3H2,1H3InChIKey=JFKGISRFJOIMNO-UHFFFAOYSA-N178.8Ex 178.76(BP est) -24.54(MP est) ----(BP exp) ----(MP exp) O=P(CBr)CC -24.5PredN
CP(CBr)OC8995170.974C3H8BrOP(bromomethyl)(methoxy)(methyl)phosphaneN146CP(CBr)OCInChI=1S/C3H8BrOP/c1-5-6(2)3-4/h3H2,1-2H3InChIKey=LNHQZKWFJGSXKL-UHFFFAOYSA-N142.6Ex 142.57(BP est) -42.17(MP est) ----(BP exp) ----(MP exp) CP(CBr)OC -42.2PredN
O=P(CBr)(C)C8996170.974C3H8BrOP(bromomethyl)dimethylphosphine oxideN146O=P(CBr)(C)CInChI=1S/C3H8BrOP/c1-6(2,5)3-4/h3H2,1-2H3InChIKey=LRKANDQWBAVWMW-UHFFFAOYSA-N176.8Ex 176.83(BP est) -33.29(MP est) ----(BP exp) ----(MP exp) O=P(CBr)(C)C -33.3PredN
NC(C)I8997170.981C2H6IN1-iodoethan-1-amineN104NC(C)IInChI=1S/C2H6IN/c1-2(3)4/h2H,4H2,1H3InChIKey=IJBGKWXHHMVNFU-UHFFFAOYSA-N137.1Ex 137.11(BP est) -34.07(MP est) ----(BP exp) ----(MP exp) NC(C)I -34.1PredN
CNCI8998170.981C2H6IN1-iodo-N-methylmethanamineN104CNCIInChI=1S/C2H6IN/c1-4-2-3/h4H,2H2,1H3InChIKey=DHHMXXSDCZCFEC-UHFFFAOYSA-N133.1Ex 133.05(BP est) -43.06(MP est) ----(BP exp) ----(MP exp) CNCI -43.1PredN
NCCI8999170.981C2H6IN2-iodoethan-1-amineN104NCCIInChI=1S/C2H6IN/c3-1-2-4/h1-2,4H2InChIKey=DIOZLZOUTWUWIQ-UHFFFAOYSA-N150.6Ex 150.56(BP est) -22.64(MP est) ----(BP exp) ----(MP exp) NCCI -22.6PredN
CSC(Br)=C(F)9000171.027C3H4BrFS(1-bromo-2-fluorovinyl)(methyl)sulfaneN106CSC(Br)=C(F)InChI=1S/C3H4BrFS/c1-6-3(4)2-5/h2H,1H3InChIKey=ZELIWDFRPHWSJW-UHFFFAOYSA-N148.1Ex 148.06(BP est) -50.53(MP est) ----(BP exp) ----(MP exp) CSC(Br)=C(F) -50.5PredN
C(F)SC(Br)=C9001171.027C3H4BrFS(1-bromovinyl)(fluoromethyl)sulfaneN106C(F)SC(Br)=CInChI=1S/C3H4BrFS/c1-3(4)6-2-5/h1-2H2InChIKey=UIJPSGZYPUOLLQ-UHFFFAOYSA-N139.5Ex 139.51(BP est) -51.36(MP est) ----(BP exp) ----(MP exp) C(F)SC(Br)=C -51.4PredN
CSC(F)=C(Br)9002171.027C3H4BrFS(2-bromo-1-fluorovinyl)(methyl)sulfaneN106CSC(F)=C(Br)InChI=1S/C3H4BrFS/c1-6-3(5)2-4/h2H,1H3InChIKey=FXRKYNVVPPUNBB-UHFFFAOYSA-N148.1Ex 148.06(BP est) -50.53(MP est) ----(BP exp) ----(MP exp) CSC(F)=C(Br) -50.5PredN
CSC=C(Br)(F)9003171.027C3H4BrFS(2-bromo-2-fluorovinyl)(methyl)sulfaneN106CSC=C(Br)(F)InChI=1S/C3H4BrFS/c1-6-2-3(4)5/h2H,1H3InChIKey=VKSBCWWEYOTQNA-UHFFFAOYSA-N148.1Ex 148.06(BP est) -50.53(MP est) ----(BP exp) ----(MP exp) CSC=C(Br)(F) -50.5PredN
C(F)SC=C(Br)9004171.027C3H4BrFS(2-bromovinyl)(fluoromethyl)sulfaneN106C(F)SC=C(Br)InChI=1S/C3H4BrFS/c4-1-2-6-3-5/h1-2H,3H2InChIKey=ROBMCFFFTVQXCP-UHFFFAOYSA-N154.1Ex 154.06(BP est) -41.79(MP est) ----(BP exp) ----(MP exp) C(F)SC=C(Br) -41.8PredN
C(Br)(F)SC=C9005171.027C3H4BrFS(bromofluoromethyl)(vinyl)sulfaneN106C(Br)(F)SC=CInChI=1S/C3H4BrFS/c1-2-6-3(4)5/h2-3H,1H2InChIKey=IMFSPAYWCPQCFY-UHFFFAOYSA-N132.0Ex 132.04(BP est) -54.06(MP est) ----(BP exp) ----(MP exp) C(Br)(F)SC=C -54.1PredN
C(Br)SC(F)=C9006171.027C3H4BrFS(bromomethyl)(1-fluorovinyl)sulfaneN106C(Br)SC(F)=CInChI=1S/C3H4BrFS/c1-3(5)6-2-4/h1-2H2InChIKey=OMDYKXYQGFOOSL-UHFFFAOYSA-N139.5Ex 139.51(BP est) -51.36(MP est) ----(BP exp) ----(MP exp) C(Br)SC(F)=C -51.4PredN
C(Br)SC=C(F)9007171.027C3H4BrFS(bromomethyl)(2-fluorovinyl)sulfaneN106C(Br)SC=C(F)InChI=1S/C3H4BrFS/c4-3-6-2-1-5/h1-2H,3H2InChIKey=MRBAGVNZEBUSNB-UHFFFAOYSA-N154.1Ex 154.06(BP est) -41.79(MP est) ----(BP exp) ----(MP exp) C(Br)SC=C(F) -41.8PredN
SC(Br)(F)(C=C)9008171.027C3H4BrFS1-bromo-1-fluoroprop-2-ene-1-thiolN106SC(Br)(F)(C=C)InChI=1S/C3H4BrFS/c1-2-3(4,5)6/h2,6H,1H2InChIKey=XELCSSYFURGHIQ-UHFFFAOYSA-N136.7Ex 136.66(BP est) -42.97(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(C=C) -43PredN
SC(Br)(C1)(C1F)9009171.027C3H4BrFS1-bromo-2-fluorocyclopropane-1-thiolN106SC(Br)(C1)(C1F)InChI=1S/C3H4BrFS/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=WJRUKNQXSCWVGF-UHFFFAOYSA-N146.2Ex 146.22(BP est) -21.71(MP est) ----(BP exp) ----(MP exp) SC(Br)(C1)(C1F) -21.7PredN
SC(Br)(C(F)=C)9010171.027C3H4BrFS1-bromo-2-fluoroprop-2-ene-1-thiolN106SC(Br)(C(F)=C)InChI=1S/C3H4BrFS/c1-2(5)3(4)6/h3,6H,1H2InChIKey=FBNWMZKOUCJBQU-UHFFFAOYSA-N139.5Ex 139.45(BP est) -57.85(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(F)=C) -57.9PredN
SC(Br)(C=CF)9011171.027C3H4BrFS1-bromo-3-fluoroprop-2-ene-1-thiolN106SC(Br)(C=CF)InChI=1S/C3H4BrFS/c4-3(6)1-2-5/h1-3,6HInChIKey=SOBPOOBIWFDKEL-UHFFFAOYSA-N154.0Ex 154.00(BP est) -48.28(MP est) ----(BP exp) ----(MP exp) SC(Br)(C=CF) -48.3PredN
BrC(F)C1CS19012171.027C3H4BrFS2-(bromofluoromethyl)thiiraneN106BrC(F)C1CS1InChI=1S/C3H4BrFS/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=ZYQQYGIXRZCPCI-UHFFFAOYSA-N135.1Ex 135.13(BP est) -21.78(MP est) ----(BP exp) ----(MP exp) BrC(F)C1CS1 -21.8PredN
FC1(CBr)CS19013171.027C3H4BrFS2-(bromomethyl)-2-fluorothiiraneN106FC1(CBr)CS1InChI=1S/C3H4BrFS/c4-1-3(5)2-6-3/h1-2H2InChIKey=IBJQRWMKHOPHGM-UHFFFAOYSA-N136.8Ex 136.83(BP est) -1.84(MP est) ----(BP exp) ----(MP exp) FC1(CBr)CS1 -1.8PredN
FC1C(CBr)S19014171.027C3H4BrFS2-(bromomethyl)-3-fluorothiiraneN106FC1C(CBr)S1InChI=1S/C3H4BrFS/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=AUATVSHBSTZCKZ-UHFFFAOYSA-N142.2Ex 142.18(BP est) -14.35(MP est) ----(BP exp) ----(MP exp) FC1C(CBr)S1 -14.4PredN
SC(F)(C1)(C1Br)9015171.027C3H4BrFS2-bromo-1-fluorocyclopropane-1-thiolN106SC(F)(C1)(C1Br)InChI=1S/C3H4BrFS/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=AESJJGTYWJGRPZ-UHFFFAOYSA-N146.2Ex 146.22(BP est) -21.71(MP est) ----(BP exp) ----(MP exp) SC(F)(C1)(C1Br) -21.7PredN
SC(F)(C(Br)=C)9016171.027C3H4BrFS2-bromo-1-fluoroprop-2-ene-1-thiolN106SC(F)(C(Br)=C)InChI=1S/C3H4BrFS/c1-2(4)3(5)6/h3,6H,1H2InChIKey=AYJQGEHWCOGGQF-UHFFFAOYSA-N139.5Ex 139.45(BP est) -57.85(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Br)=C) -57.9PredN
BrC1(CF)CS19017171.027C3H4BrFS2-bromo-2-(fluoromethyl)thiiraneN106BrC1(CF)CS1InChI=1S/C3H4BrFS/c4-3(1-5)2-6-3/h1-2H2InChIKey=ACBUPZGZHQVKKI-UHFFFAOYSA-N136.8Ex 136.83(BP est) -1.84(MP est) ----(BP exp) ----(MP exp) BrC1(CF)CS1 -1.8PredN
BrC1(F)C(C)S19018171.027C3H4BrFS2-bromo-2-fluoro-3-methylthiiraneN106BrC1(F)C(C)S1InChI=1S/C3H4BrFS/c1-2-3(4,5)6-2/h2H,1H3InChIKey=ZLTANEFYQIMPSR-UHFFFAOYSA-N130.2Ex 130.24(BP est) -5.88(MP est) ----(BP exp) ----(MP exp) BrC1(F)C(C)S1 -5.9PredN
SC(C1)(C1(Br)F)9019171.027C3H4BrFS2-bromo-2-fluorocyclopropane-1-thiolN106SC(C1)(C1(Br)F)InChI=1S/C3H4BrFS/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=ZEJYZLWZWQMDDD-UHFFFAOYSA-N146.2Ex 146.22(BP est) -21.71(MP est) ----(BP exp) ----(MP exp) SC(C1)(C1(Br)F) -21.7PredN
BrC1(F)SCC19020171.027C3H4BrFS2-bromo-2-fluorothietaneN106BrC1(F)SCC1InChI=1S/C3H4BrFS/c4-3(5)1-2-6-3/h1-2H2InChIKey=QBRUBTLUAGDGOG-UHFFFAOYSA-N138.9Ex 138.90(BP est) -2.99(MP est) ----(BP exp) ----(MP exp) BrC1(F)SCC1 -3PredN
BrC1C(CF)S19021171.027C3H4BrFS2-bromo-3-(fluoromethyl)thiiraneN106BrC1C(CF)S1InChI=1S/C3H4BrFS/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=PWEXUXBIGJDVIM-UHFFFAOYSA-N142.2Ex 142.18(BP est) -14.35(MP est) ----(BP exp) ----(MP exp) BrC1C(CF)S1 -14.4PredN
FC1C(Br)(C)S19022171.027C3H4BrFS2-bromo-3-fluoro-2-methylthiiraneN106FC1C(Br)(C)S1InChI=1S/C3H4BrFS/c1-3(4)2(5)6-3/h2H,1H3InChIKey=OJHNAQRJUYREFL-UHFFFAOYSA-N130.2Ex 130.24(BP est) -5.88(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(C)S1 -5.9PredN
SC(C1Br)(C1F)9023171.027C3H4BrFS2-bromo-3-fluorocyclopropane-1-thiolN106SC(C1Br)(C1F)InChI=1S/C3H4BrFS/c4-1-2(5)3(1)6/h1-3,6HInChIKey=NJYUNJPXZAIESH-UHFFFAOYSA-N151.5Ex 151.48(BP est) -34.25(MP est) ----(BP exp) ----(MP exp) SC(C1Br)(C1F) -34.3PredN
SC(C(Br)=CF)9024171.027C3H4BrFS2-bromo-3-fluoroprop-2-ene-1-thiolN106SC(C(Br)=CF)InChI=1S/C3H4BrFS/c4-3(1-5)2-6/h1,6H,2H2InChIKey=XHTXSYXTFUSIFW-UHFFFAOYSA-N161.2Ex 161.18(BP est) -45.67(MP est) ----(BP exp) ----(MP exp) SC(C(Br)=CF) -45.7PredN
BrC1SCC1F9025171.027C3H4BrFS2-bromo-3-fluorothietaneN106BrC1SCC1FInChI=1S/C3H4BrFS/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=MEKPBGMGDFCQCG-UHFFFAOYSA-N144.2Ex 144.23(BP est) -15.51(MP est) ----(BP exp) ----(MP exp) BrC1SCC1F -15.5PredN
BrC1CC(F)S19026171.027C3H4BrFS2-bromo-4-fluorothietaneN106BrC1CC(F)S1InChI=1S/C3H4BrFS/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=WHBUNJNQCNGHRF-UHFFFAOYSA-N144.2Ex 144.23(BP est) -15.51(MP est) ----(BP exp) ----(MP exp) BrC1CC(F)S1 -15.5PredN
SC(F)(C=CBr)9027171.027C3H4BrFS3-bromo-1-fluoroprop-2-ene-1-thiolN106SC(F)(C=CBr)InChI=1S/C3H4BrFS/c4-2-1-3(5)6/h1-3,6HInChIKey=QRQIIMPSQGOPFL-UHFFFAOYSA-N154.0Ex 154.00(BP est) -48.28(MP est) ----(BP exp) ----(MP exp) SC(F)(C=CBr) -48.3PredN
BrC1C(F)(C)S19028171.027C3H4BrFS3-bromo-2-fluoro-2-methylthiiraneN106BrC1C(F)(C)S1InChI=1S/C3H4BrFS/c1-3(5)2(4)6-3/h2H,1H3InChIKey=DYFVUFVPOOQAAK-UHFFFAOYSA-N130.2Ex 130.24(BP est) -5.88(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(C)S1 -5.9PredN
SC(C(F)=CBr)9029171.027C3H4BrFS3-bromo-2-fluoroprop-2-ene-1-thiolN106SC(C(F)=CBr)InChI=1S/C3H4BrFS/c4-1-3(5)2-6/h1,6H,2H2InChIKey=HJASLJGWCYAVBX-UHFFFAOYSA-N161.2Ex 161.18(BP est) -45.67(MP est) ----(BP exp) ----(MP exp) SC(C(F)=CBr) -45.7PredN
FC1SCC1Br9030171.027C3H4BrFS3-bromo-2-fluorothietaneN106FC1SCC1BrInChI=1S/C3H4BrFS/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=WAWVIHSCQVBSBV-UHFFFAOYSA-N144.2Ex 144.23(BP est) -15.51(MP est) ----(BP exp) ----(MP exp) FC1SCC1Br -15.5PredN
SC(C=C(Br)F)9031171.027C3H4BrFS3-bromo-3-fluoroprop-2-ene-1-thiolN106SC(C=C(Br)F)InChI=1S/C3H4BrFS/c4-3(5)1-2-6/h1,6H,2H2InChIKey=YTPCTAJFVQCJRG-UHFFFAOYSA-N161.2Ex 161.18(BP est) -45.67(MP est) ----(BP exp) ----(MP exp) SC(C=C(Br)F) -45.7PredN
BrC1(F)CSC19032171.027C3H4BrFS3-bromo-3-fluorothietaneN106BrC1(F)CSC1InChI=1S/C3H4BrFS/c4-3(5)1-6-2-3/h1-2H2InChIKey=FIGVVRXBRGJPBY-UHFFFAOYSA-N138.9Ex 138.90(BP est) -2.99(MP est) ----(BP exp) ----(MP exp) BrC1(F)CSC1 -3PredN
F[Si]1(O)CC1Br9034171.04C2H4BrFOSi2-bromo-1-fluorosiliran-1-olN106F[Si]1(O)CC1BrInChI=1S/C2H4BrFOSi/c3-2-1-6(2,4)5/h2,5H,1H2InChIKey=RPBXBTOBKMJADP-UHFFFAOYSA-N149.2Ex 149.18(BP est) 22.05(MP est) ----(BP exp) ----(MP exp) F[Si]1(O)CC1Br 22.1PredN
F[Si](C)(CBr)C9035171.084C3H8BrFSi(bromomethyl)fluorodimethylsilaneN146F[Si](C)(CBr)CInChI=1S/C3H8BrFSi/c1-6(2,5)3-4/h3H2,1-2H3InChIKey=XWZKRGDUUWNWCJ-UHFFFAOYSA-N79.4Ex 79.43(BP est) -74.31(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CBr)C -74.3PredN
ClC(C1F)=C1Br9037171.393C3HBrClF1-bromo-2-chloro-3-fluorocycloprop-1-eneN76ClC(C1F)=C1BrInChI=1S/C3HBrClF/c4-1-2(5)3(1)6/h3HInChIKey=PCGSUXZSCICOAT-UHFFFAOYSA-N119.2Ex 119.15(BP est) -29.81(MP est) ----(BP exp) ----(MP exp) ClC(C1F)=C1Br -29.8PredN
BrC(C1Cl)=C1F9038171.393C3HBrClF1-bromo-3-chloro-2-fluorocycloprop-1-eneN76BrC(C1Cl)=C1FInChI=1S/C3HBrClF/c4-1-2(5)3(1)6/h2HInChIKey=QURDGWLFUFHGSH-UHFFFAOYSA-N133.7Ex 133.72(BP est) -25.56(MP est) ----(BP exp) ----(MP exp) BrC(C1Cl)=C1F -25.6PredN
BrC1=CC1(F)Cl9039171.393C3HBrClF1-bromo-3-chloro-3-fluorocycloprop-1-eneN76BrC1=CC1(F)ClInChI=1S/C3HBrClF/c4-2-1-3(2,5)6/h1HInChIKey=ZCCWFFPQNDFNPR-UHFFFAOYSA-N110.9Ex 110.87(BP est) -26.54(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(F)Cl -26.5PredN
C(Cl)(F)(C#CBr)9040171.393C3HBrClF1-bromo-3-chloro-3-fluoroprop-1-yneN76C(Cl)(F)(C#CBr)InChI=1S/C3HBrClF/c4-2-1-3(5)6/h3HInChIKey=CIHKMSQXGPWRAB-UHFFFAOYSA-N133.5Ex 133.53(BP est) -1.94(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C#CBr) -1.9PredN
ClC(C1Br)=C1F9041171.393C3HBrClF3-bromo-1-chloro-2-fluorocycloprop-1-eneN76ClC(C1Br)=C1FInChI=1S/C3HBrClF/c4-1-2(5)3(1)6/h1HInChIKey=OHFANPHCYQWFQS-UHFFFAOYSA-N119.2Ex 119.15(BP est) -29.81(MP est) ----(BP exp) ----(MP exp) ClC(C1Br)=C1F -29.8PredN
ClC1=CC1(F)Br9042171.393C3HBrClF3-bromo-1-chloro-3-fluorocycloprop-1-eneN76ClC1=CC1(F)BrInChI=1S/C3HBrClF/c4-3(6)1-2(3)5/h1HInChIKey=CPUAODRJTQKLCW-UHFFFAOYSA-N108.8Ex 108.77(BP est) -27.15(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(F)Br -27.2PredN
C(Br)(F)(C#CCl)9043171.393C3HBrClF3-bromo-1-chloro-3-fluoroprop-1-yneN76C(Br)(F)(C#CCl)InChI=1S/C3HBrClF/c4-3(6)1-2-5/h3HInChIKey=HJFHUGREIBGDFF-UHFFFAOYSA-N119.0Ex 118.96(BP est) -6.19(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C#CCl) -6.2PredN
FC1=CC1(Cl)Br9044171.393C3HBrClF3-bromo-3-chloro-1-fluorocycloprop-1-eneN76FC1=CC1(Cl)BrInChI=1S/C3HBrClF/c4-3(5)1-2(3)6/h1HInChIKey=MUKVJIUBGIJQID-UHFFFAOYSA-N110.9Ex 110.87(BP est) -26.54(MP est) ----(BP exp) ----(MP exp) FC1=CC1(Cl)Br -26.5PredN
C(Br)(Cl)(C#CF)9045171.393C3HBrClF3-bromo-3-chloro-1-fluoroprop-1-yneN76C(Br)(Cl)(C#CF)InChI=1S/C3HBrClF/c4-3(5)1-2-6/h3HInChIKey=UBKGMBWDQKOLNE-UHFFFAOYSA-N133.5Ex 133.53(BP est) -1.94(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C#CF) -1.9PredN
C(Br)(Cl)(F)(C#C)9046171.393C3HBrClF3-bromo-3-chloro-3-fluoroprop-1-yneN76C(Br)(Cl)(F)(C#C)InChI=1S/C3HBrClF/c1-2-3(4,5)6/h1HInChIKey=CXSMLBZEOSDFBU-UHFFFAOYSA-N102.9Ex 102.89(BP est) -31.74(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(F)(C#C) -31.7PredN
BrC(OC=C)Cl9047171.418C3H4BrClO(bromochloromethoxy)etheneN106BrC(OC=C)ClInChI=1S/C3H4BrClO/c1-2-6-3(4)5/h2-3H,1H2InChIKey=UHTHPUZNSIHHRN-UHFFFAOYSA-N136.8Ex 136.75(BP est) -44.11(MP est) ----(BP exp) ----(MP exp) BrC(OC=C)Cl -44.1PredN
BrCOC(Cl)=C9048171.418C3H4BrClO1-(bromomethoxy)-1-chloroetheneN106BrCOC(Cl)=CInChI=1S/C3H4BrClO/c1-3(5)6-2-4/h1-2H2InChIKey=YLYLBMPQQSEOFR-UHFFFAOYSA-N129.9Ex 129.86(BP est) -45.60(MP est) ----(BP exp) ----(MP exp) BrCOC(Cl)=C -45.6PredN
BrCOC=CCl9049171.418C3H4BrClO1-(bromomethoxy)-2-chloroetheneN106BrCOC=CClInChI=1S/C3H4BrClO/c4-3-6-2-1-5/h1-2H,3H2InChIKey=ILHCSZZSNOLHED-UHFFFAOYSA-N144.7Ex 144.66(BP est) -35.96(MP est) ----(BP exp) ----(MP exp) BrCOC=CCl -36PredN
ClCOC(Br)=C9050171.418C3H4BrClO1-bromo-1-(chloromethoxy)etheneN106ClCOC(Br)=CInChI=1S/C3H4BrClO/c1-3(4)6-2-5/h1-2H2InChIKey=DFVBDHYHNSSNGE-UHFFFAOYSA-N156.2Ex 156.19(BP est) -37.91(MP est) ----(BP exp) ----(MP exp) ClCOC(Br)=C -37.9PredN
COC=C(Cl)Br9051171.418C3H4BrClO1-bromo-1-chloro-2-methoxyetheneN106COC=C(Cl)BrInChI=1S/C3H4BrClO/c1-6-2-3(4)5/h2H,1H3InChIKey=ITIINTCZYQAXSD-UHFFFAOYSA-N138.6Ex 138.55(BP est) -44.72(MP est) ----(BP exp) ----(MP exp) COC=C(Cl)Br -44.7PredN
OC(Cl)(C=C)Br9052171.418C3H4BrClO1-bromo-1-chloroprop-2-en-1-olN106OC(Cl)(C=C)BrInChI=1S/C3H4BrClO/c1-2-3(4,5)6/h2,6H,1H2InChIKey=PHUKQKKVHQBKLI-UHFFFAOYSA-N158.4Ex 158.36(BP est) -9.79(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C=C)Br -9.8PredN
CC(C(Cl)Br)=O9053171.418C3H4BrClO1-bromo-1-chloropropan-2-oneN106CC(C(Cl)Br)=OInChI=1S/C3H4BrClO/c1-2(6)3(4)5/h3H,1H3InChIKey=GUMGYULJBWUBGM-UHFFFAOYSA-N158.7Ex 158.66(BP est) -22.98(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)Br)=O -23PredN
C(Cl)OC=C(Br)9054171.418C3H4BrClO1-bromo-2-(chloromethoxy)etheneN106C(Cl)OC=C(Br)InChI=1S/C3H4BrClO/c4-1-2-6-3-5/h1-2H,3H2InChIKey=ZLLRSCMUCLYRMN-UHFFFAOYSA-N170.3Ex 170.30(BP est) -28.47(MP est) ----(BP exp) ----(MP exp) C(Cl)OC=C(Br) -28.5PredN
COC(Br)=CCl9055171.418C3H4BrClO1-bromo-2-chloro-1-methoxyetheneN106COC(Br)=CClInChI=1S/C3H4BrClO/c1-6-3(4)2-5/h2H,1H3InChIKey=JIYPSMWTMSPUKT-UHFFFAOYSA-N138.6Ex 138.55(BP est) -44.72(MP est) ----(BP exp) ----(MP exp) COC(Br)=CCl -44.7PredN
OC(Br)(C1)(C1Cl)9056171.418C3H4BrClO1-bromo-2-chlorocyclopropan-1-olN106OC(Br)(C1)(C1Cl)InChI=1S/C3H4BrClO/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=KAYALGXDWILIPX-UHFFFAOYSA-N179.0Ex 179.02(BP est) 14.71(MP est) ----(BP exp) ----(MP exp) OC(Br)(C1)(C1Cl) 14.7PredN
OC(Br)(C(Cl)=C)9057171.418C3H4BrClO1-bromo-2-chloroprop-2-en-1-olN106OC(Br)(C(Cl)=C)InChI=1S/C3H4BrClO/c1-2(5)3(4)6/h3,6H,1H2InChIKey=WTDPIEKJTRGVJJ-UHFFFAOYSA-N169.1Ex 169.14(BP est) -22.33(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(Cl)=C) -22.3PredN
OC(Br)(C=CCl)9058171.418C3H4BrClO1-bromo-3-chloroprop-2-en-1-olN106OC(Br)(C=CCl)InChI=1S/C3H4BrClO/c4-3(6)1-2-5/h1-3,6HInChIKey=RRZWPBASDWXLFR-UHFFFAOYSA-N182.9Ex 182.89(BP est) -13.00(MP est) ----(BP exp) ----(MP exp) OC(Br)(C=CCl) -13PredN
C(Cl)C(=O)C(Br)9059171.418C3H4BrClO1-bromo-3-chloropropan-2-oneN106C(Cl)C(=O)C(Br)InChI=1S/C3H4BrClO/c4-1-3(6)2-5/h1-2H2InChIKey=QMUUMVLJNYZYSS-UHFFFAOYSA-N183.0Ex 183.00(BP est) -8.37(MP est) ----(BP exp) ----(MP exp) C(Cl)C(=O)C(Br) -8.4PredY(Kladi et al. 2004)
BrC(Cl)C1CO19060171.418C3H4BrClO2-(bromochloromethyl)oxiraneN106BrC(Cl)C1CO1InChI=1S/C3H4BrClO/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=SDMVQGIABDRGAF-UHFFFAOYSA-N147.4Ex 147.41(BP est) -28.98(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1CO1 -29PredN
ClC1(CBr)CO19061171.418C3H4BrClO2-(bromomethyl)-2-chlorooxiraneN106ClC1(CBr)CO1InChI=1S/C3H4BrClO/c4-1-3(5)2-6-3/h1-2H2InChIKey=DBENCAPJEUAPIP-UHFFFAOYSA-N136.9Ex 136.91(BP est) -12.59(MP est) ----(BP exp) ----(MP exp) ClC1(CBr)CO1 -12.6PredN
ClC1C(CBr)O19062171.418C3H4BrClO2-(bromomethyl)-3-chlorooxiraneN106ClC1C(CBr)O1InChI=1S/C3H4BrClO/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=CYVGBDSVULTHJK-UHFFFAOYSA-N154.3Ex 154.30(BP est) -21.58(MP est) ----(BP exp) ----(MP exp) ClC1C(CBr)O1 -21.6PredN
COC(Cl)=CBr9063171.418C3H4BrClO2-bromo-1-chloro-1-methoxyetheneN106COC(Cl)=CBrInChI=1S/C3H4BrClO/c1-6-3(5)2-4/h2H,1H3InChIKey=LRYBIQLZLKXKCI-UHFFFAOYSA-N138.6Ex 138.55(BP est) -44.72(MP est) ----(BP exp) ----(MP exp) COC(Cl)=CBr -44.7PredN
OC(Cl)(C1)(C1Br)9064171.418C3H4BrClO2-bromo-1-chlorocyclopropan-1-olN106OC(Cl)(C1)(C1Br)InChI=1S/C3H4BrClO/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=SYGONZPRUQWNKH-UHFFFAOYSA-N167.5Ex 167.54(BP est) 11.36(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C1)(C1Br) 11.4PredN
OC(Cl)(C(Br)=C)9065171.418C3H4BrClO2-bromo-1-chloroprop-2-en-1-olN106OC(Cl)(C(Br)=C)InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h3,6H,1H2InChIKey=DWMHHCBRGDFSAC-UHFFFAOYSA-N182.4Ex 182.42(BP est) -18.46(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(Br)=C) -18.5PredN
BrC1(CCl)CO19066171.418C3H4BrClO2-bromo-2-(chloromethyl)oxiraneN106BrC1(CCl)CO1InChI=1S/C3H4BrClO/c4-3(1-5)2-6-3/h1-2H2InChIKey=GSRXMEDVRZQOQP-UHFFFAOYSA-N161.0Ex 161.00(BP est) -5.56(MP est) ----(BP exp) ----(MP exp) BrC1(CCl)CO1 -5.6PredN
BrC1(Cl)C(C)O19067171.418C3H4BrClO2-bromo-2-chloro-3-methyloxiraneN106BrC1(Cl)C(C)O1InChI=1S/C3H4BrClO/c1-2-3(4,5)6-2/h2H,1H3InChIKey=HRMVYPFJNSIHCW-UHFFFAOYSA-N130.3Ex 130.32(BP est) -16.63(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C(C)O1 -16.6PredN
OC(C1)(C1(Br)Cl)9068171.418C3H4BrClO2-bromo-2-chlorocyclopropan-1-olN106OC(C1)(C1(Br)Cl)InChI=1S/C3H4BrClO/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=MFVFLNZNEGXEPM-UHFFFAOYSA-N177.4Ex 177.41(BP est) 14.24(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1(Br)Cl) 14.2PredN
BrC1(Cl)OCC19069171.418C3H4BrClO2-bromo-2-chlorooxetaneN106BrC1(Cl)OCC1InChI=1S/C3H4BrClO/c4-3(5)1-2-6-3/h1-2H2InChIKey=UGLCSSFLSGVOCX-UHFFFAOYSA-N139.0Ex 138.97(BP est) -13.75(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)OCC1 -13.8PredN
O=CC(Cl)(C)Br9070171.418C3H4BrClO2-bromo-2-chloropropanalN106O=CC(Cl)(C)BrInChI=1S/C3H4BrClO/c1-3(4,5)2-6/h2H,1H3InChIKey=OFOGZORPIWFXKU-UHFFFAOYSA-N150.8Ex 150.82(BP est) -20.52(MP est) ----(BP exp) ----(MP exp) O=CC(Cl)(C)Br -20.5PredN
BrC1C(CCl)O19071171.418C3H4BrClO2-bromo-3-(chloromethyl)oxiraneN106BrC1C(CCl)O1InChI=1S/C3H4BrClO/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=XVSSRVMWNDVROI-UHFFFAOYSA-N166.1Ex 166.11(BP est) -18.13(MP est) ----(BP exp) ----(MP exp) BrC1C(CCl)O1 -18.1PredN
ClC1C(Br)(C)O19072171.418C3H4BrClO2-bromo-3-chloro-2-methyloxiraneN106ClC1C(Br)(C)O1InChI=1S/C3H4BrClO/c1-3(4)2(5)6-3/h2H,1H3InChIKey=GKBZPMQQZSQHQS-UHFFFAOYSA-N142.6Ex 142.62(BP est) -13.04(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(C)O1 -13PredN
OC(C1Cl)(C1Br)9073171.418C3H4BrClO2-bromo-3-chlorocyclopropan-1-olN106OC(C1Cl)(C1Br)InChI=1S/C3H4BrClO/c4-1-2(5)3(1)6/h1-3,6HInChIKey=DTUNEGIBSONHLL-UHFFFAOYSA-N193.5Ex 193.48(BP est) 4.86(MP est) ----(BP exp) ----(MP exp) OC(C1Cl)(C1Br) 4.9PredN
BrC1OCC1Cl9074171.418C3H4BrClO2-bromo-3-chlorooxetaneN106BrC1OCC1ClInChI=1S/C3H4BrClO/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=BGPHGWZUERAJLL-UHFFFAOYSA-N156.3Ex 156.30(BP est) -22.76(MP est) ----(BP exp) ----(MP exp) BrC1OCC1Cl -22.8PredN
OC(C(Br)=CCl)9075171.418C3H4BrClO2-bromo-3-chloroprop-2-en-1-olN106OC(C(Br)=CCl)InChI=1S/C3H4BrClO/c4-3(1-5)2-6/h1,6H,2H2InChIKey=GGERBFQLWZWJMY-UHFFFAOYSA-N196.2Ex 196.20(BP est) -8.59(MP est) ----(BP exp) ----(MP exp) OC(C(Br)=CCl) -8.6PredN
C(=O)C(Br)(CCl)9076171.418C3H4BrClO2-bromo-3-chloropropanalN106C(=O)C(Br)(CCl)InChI=1S/C3H4BrClO/c4-3(1-5)2-6/h2-3H,1H2InChIKey=NORZIIJHTFHSOL-UHFFFAOYSA-N182.6Ex 182.57(BP est) -19.97(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(CCl) -20PredN
ClC1CC(Br)O19077171.418C3H4BrClO2-bromo-4-chlorooxetaneN106ClC1CC(Br)O1InChI=1S/C3H4BrClO/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=AWYIKDYVSCURRS-UHFFFAOYSA-N156.3Ex 156.30(BP est) -22.76(MP est) ----(BP exp) ----(MP exp) ClC1CC(Br)O1 -22.8PredN
OC(Cl)(C=CBr)9078171.418C3H4BrClO3-bromo-1-chloroprop-2-en-1-olN106OC(Cl)(C=CBr)InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-3,6HInChIKey=GZDLWWXSVGUPKN-UHFFFAOYSA-N195.8Ex 195.80(BP est) -9.23(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C=CBr) -9.2PredN
BrC1C(Cl)(C)O19079171.418C3H4BrClO3-bromo-2-chloro-2-methyloxiraneN106BrC1C(Cl)(C)O1InChI=1S/C3H4BrClO/c1-3(5)2(4)6-3/h2H,1H3InChIKey=CJVCAZKADWDYCU-UHFFFAOYSA-N130.3Ex 130.32(BP est) -16.63(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(C)O1 -16.6PredN
ClC1OCC1Br9080171.418C3H4BrClO3-bromo-2-chlorooxetaneN106ClC1OCC1BrInChI=1S/C3H4BrClO/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=KPKJRNAWMSUAOS-UHFFFAOYSA-N156.3Ex 156.30(BP est) -22.76(MP est) ----(BP exp) ----(MP exp) ClC1OCC1Br -22.8PredN
OC(C(Cl)=CBr)9081171.418C3H4BrClO3-bromo-2-chloroprop-2-en-1-olN106OC(C(Cl)=CBr)InChI=1S/C3H4BrClO/c4-1-3(5)2-6/h1,6H,2H2InChIKey=RQVMNKCCDLOXAR-UHFFFAOYSA-N196.2Ex 196.20(BP est) -8.59(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)=CBr) -8.6PredN
C(=O)C(Cl)(CBr)9082171.418C3H4BrClO3-bromo-2-chloropropanalN106C(=O)C(Cl)(CBr)InChI=1S/C3H4BrClO/c4-1-3(5)2-6/h2-3H,1H2InChIKey=DOMUHNDTAJNYES-UHFFFAOYSA-N171.1Ex 171.14(BP est) -23.30(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(CBr) -23.3PredN
BrC1(Cl)COC19083171.418C3H4BrClO3-bromo-3-chlorooxetaneN106BrC1(Cl)COC1InChI=1S/C3H4BrClO/c4-3(5)1-6-2-3/h1-2H2InChIKey=RWCYFZLLOVTJDX-UHFFFAOYSA-N139.0Ex 138.97(BP est) -13.75(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)COC1 -13.8PredN
OC(C=C(Br)Cl)9084171.418C3H4BrClO3-bromo-3-chloroprop-2-en-1-olN106OC(C=C(Br)Cl)InChI=1S/C3H4BrClO/c4-3(5)1-2-6/h1,6H,2H2InChIKey=WBNCPBOAJXBTRH-UHFFFAOYSA-N196.2Ex 196.20(BP est) -8.59(MP est) ----(BP exp) ----(MP exp) OC(C=C(Br)Cl) -8.6PredN
C(=O)C(C(Br)Cl)9085171.418C3H4BrClO3-bromo-3-chloropropanalN106C(=O)C(C(Br)Cl)InChI=1S/C3H4BrClO/c4-3(5)1-2-6/h2-3H,1H2InChIKey=JFLASFQPBGNCEF-UHFFFAOYSA-N171.1Ex 171.14(BP est) -23.30(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(Br)Cl) -23.3PredN
ClC(S1)=C1Br9086171.436C2BrClS2-bromo-3-chlorothiireneN55ClC(S1)=C1BrInChI=1S/C2BrClS/c3-1-2(4)5-1InChIKey=TUWXMQYPGSTKCP-UHFFFAOYSA-N162.8Ex 162.84(BP est) 17.86(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1Br 17.9PredN
CC(C(Cl)Br)C9087171.462C4H8BrCl1-bromo-1-chloro-2-methylpropaneN146CC(C(Cl)Br)CInChI=1S/C4H8BrCl/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=FOCDNGFPPIOJTN-UHFFFAOYSA-N123.8Ex 123.79(BP est) -59.99(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)Br)C -60PredN
CCCC(Cl)Br9088171.462C4H8BrCl1-bromo-1-chlorobutaneN146CCCC(Cl)BrInChI=1S/C4H8BrCl/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=DQHKCMPDSGCTHI-UHFFFAOYSA-N137.6Ex 137.56(BP est) -48.47(MP est) ----(BP exp) ----(MP exp) CCCC(Cl)Br -48.5PredN
ClC(C)(CBr)C9089171.462C4H8BrCl1-bromo-2-chloro-2-methylpropaneN146ClC(C)(CBr)CInChI=1S/C4H8BrCl/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=IIVVWOUHWDRSBE-UHFFFAOYSA-N115.9Ex 115.93(BP est) -46.07(MP est) ----(BP exp) ----(MP exp) ClC(C)(CBr)C -46.1PredN
CCC(CBr)Cl9090171.462C4H8BrCl1-bromo-2-chlorobutaneN146CCC(CBr)ClInChI=1S/C4H8BrCl/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=VHMXKTNRBDTDRA-UHFFFAOYSA-N137.6Ex 137.56(BP est) -48.47(MP est) ----(BP exp) ----(MP exp) CCC(CBr)Cl -48.5PredN
CC(CBr)CCl9091171.462C4H8BrCl1-bromo-3-chloro-2-methylpropaneN146CC(CBr)CClInChI=1S/C4H8BrCl/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=ZKDOQFPDSUOLGF-UHFFFAOYSA-N154.0Ex 149.74(BP est) -44.91(MP est) 155.00(BP exp) ----(MP exp) CC(CBr)CCl -44.9PredN
CC(CCBr)Cl9092171.462C4H8BrCl1-bromo-3-chlorobutaneN146CC(CCBr)ClInChI=1S/C4H8BrCl/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=ZHTDTJPDPPKLTG-UHFFFAOYSA-N137.6Ex 137.56(BP est) -48.47(MP est) ----(BP exp) ----(MP exp) CC(CCBr)Cl -48.5PredN
C(Cl)(CCCBr)9093171.462C4H8BrCl1-bromo-4-chlorobutaneN146C(Cl)(CCCBr)InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2InChIKey=NIDSRGCVYOEDFW-UHFFFAOYSA-N175.0Ex 162.89(BP est) -33.58(MP est) 175.00(BP exp) ----(MP exp) C(Cl)(CCCBr) -33.6PredN
BrC(C)(CCl)C9094171.462C4H8BrCl2-bromo-1-chloro-2-methylpropaneN146BrC(C)(CCl)CInChI=1S/C4H8BrCl/c1-4(2,5)3-6/h3H2,1-2H3InChIKey=YEZMNTBSGDUYBT-UHFFFAOYSA-N127.5Ex 140.92(BP est) -38.78(MP est) ----(BP exp) ----(MP exp) BrC(C)(CCl)C -38.8PredN
CCC(CCl)Br9095171.462C4H8BrCl2-bromo-1-chlorobutaneN146CCC(CCl)BrInChI=1S/C4H8BrCl/c1-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=JWKNNMRRWYSENP-UHFFFAOYSA-N146.5Ex 149.74(BP est) -44.91(MP est) ----(BP exp) ----(MP exp) CCC(CCl)Br -44.9PredN
CCC(Cl)(C)Br9096171.462C4H8BrCl2-bromo-2-chlorobutaneN146CCC(Cl)(C)BrInChI=1S/C4H8BrCl/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=MEOSRBYYBQJAQM-UHFFFAOYSA-N115.9Ex 115.93(BP est) -46.07(MP est) ----(BP exp) ----(MP exp) CCC(Cl)(C)Br -46.1PredN
CC(C(C)Br)Cl9097171.462C4H8BrCl2-bromo-3-chlorobutaneN146CC(C(C)Br)ClInChI=1S/C4H8BrCl/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=JYFXSQSXTXFTEV-UHFFFAOYSA-N123.8Ex 123.79(BP est) -59.99(MP est) ----(BP exp) ----(MP exp) CC(C(C)Br)Cl -60PredN
CC(CCCl)Br9098171.462C4H8BrCl3-bromo-1-chlorobutaneN146CC(CCCl)BrInChI=1S/C4H8BrCl/c1-4(5)2-3-6/h4H,2-3H2,1H3InChIKey=RNHALYZIVRYWJY-UHFFFAOYSA-N149.7Ex 149.74(BP est) -44.91(MP est) ----(BP exp) ----(MP exp) CC(CCCl)Br -44.9PredN
C=C(F)(I)9102171.941C2H2FI1-fluoro-1-iodoetheneN64C=C(F)(I)InChI=1S/C2H2FI/c1-2(3)4/h1H2InChIKey=ORIAQZIAPUBYGV-UHFFFAOYSA-N82.8Ex 82.81(BP est) -91.62(MP est) ----(BP exp) ----(MP exp) C=C(F)(I) -91.6PredN
C(I)=C(F)9103171.941C2H2FI1-fluoro-2-iodoetheneN64C(I)=C(F)InChI=1S/C2H2FI/c3-1-2-4/h1-2HInChIKey=UBWJYLSNGVHRSE-UHFFFAOYSA-N98.8Ex 98.79(BP est) -81.64(MP est) ----(BP exp) ----(MP exp) C(I)=C(F) -81.6PredN
OC(C)I9104171.965C2H5IO1-iodoethan-1-olN94OC(C)IInChI=1S/C2H5IO/c1-2(3)4/h2,4H,1H3InChIKey=HZHWUOHAMYTSLL-UHFFFAOYSA-N154.2Ex 154.24(BP est) -40.29(MP est) ----(BP exp) ----(MP exp) OC(C)I -40.3PredN
OC(CI)9105171.965C2H5IO2-iodoethan-1-olN94OC(CI)InChI=1S/C2H5IO/c3-1-2-4/h4H,1-2H2InChIKey=QSECPQCFCWVBKM-UHFFFAOYSA-N174.1Ex 174.12(BP est) -26.99(MP est) ----(BP exp) ----(MP exp) OC(CI) -27PredY(Gribble 2003)
NNC(I)9107171.969CH5IN2(iodomethyl)hydrazineN94NNC(I)InChI=1S/CH5IN2/c2-1-4-3/h4H,1,3H2InChIKey=XXVKZZHSYSTXSQ-UHFFFAOYSA-N169.4Ex 169.39(BP est) 3.55(MP est) ----(BP exp) ----(MP exp) NNC(I) 3.6PredN
BrC(C(N)=O)Cl9108172.406C2H3BrClNO2-bromo-2-chloroacetamideN96BrC(C(N)=O)ClInChI=1S/C2H3BrClNO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=GKRKWDWETUTQOT-UHFFFAOYSA-N266.9Ex 266.91(BP est) 68.88(MP est) ----(BP exp) ----(MP exp) BrC(C(N)=O)Cl 68.9PredY(Kladi et al. 2004)
BrC1(Cl)N(O)C19109172.406C2H3BrClNO2-bromo-2-chloroaziridin-1-olN96BrC1(Cl)N(O)C1InChI=1S/C2H3BrClNO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=SKYJWNZQCMDESH-UHFFFAOYSA-N262.3Ex 262.26(BP est) 64.20(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)N(O)C1 64.2PredN
BrC1(Cl)NOC19110172.406C2H3BrClNO3-bromo-3-chloro-1,2-oxazetidineN96BrC1(Cl)NOC1InChI=1S/C2H3BrClNO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=GPDJODYZYAZUGY-UHFFFAOYSA-N174.1Ex 174.10(BP est) 15.69(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)NOC1 15.7PredN
BrC1NOC1Cl9111172.406C2H3BrClNO3-bromo-4-chloro-1,2-oxazetidineN96BrC1NOC1ClInChI=1S/C2H3BrClNO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=UKFVVGCCJOPSEW-UHFFFAOYSA-N190.3Ex 190.29(BP est) 21.85(MP est) ----(BP exp) ----(MP exp) BrC1NOC1Cl 21.9PredN
ClC1NOC1Br9112172.406C2H3BrClNO4-bromo-3-chloro-1,2-oxazetidineN96ClC1NOC1BrInChI=1S/C2H3BrClNO/c3-1-2(4)5-6-1/h1-2,5HInChIKey=RAIQRXXRNXGPJY-UHFFFAOYSA-N190.3Ex 190.29(BP est) 21.85(MP est) ----(BP exp) ----(MP exp) ClC1NOC1Br 21.9PredN
BrC1(Cl)CNO19113172.406C2H3BrClNO4-bromo-4-chloro-1,2-oxazetidineN96BrC1(Cl)CNO1InChI=1S/C2H3BrClNO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=CFSVQYASCRXQQZ-UHFFFAOYSA-N174.1Ex 174.10(BP est) 15.69(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CNO1 15.7PredN
NOC(Br)=CCl9114172.406C2H3BrClNOO-(1-bromo-2-chlorovinyl)hydroxylamineN96NOC(Br)=CClInChI=1S/C2H3BrClNO/c3-2(1-4)6-5/h1H,5H2InChIKey=QYOYAGWJMYDSRC-UHFFFAOYSA-N174.5Ex 174.52(BP est) 1.78(MP est) ----(BP exp) ----(MP exp) NOC(Br)=CCl 1.8PredN
NOC(Cl)=CBr9115172.406C2H3BrClNOO-(2-bromo-1-chlorovinyl)hydroxylamineN96NOC(Cl)=CBrInChI=1S/C2H3BrClNO/c3-1-2(4)6-5/h1H,5H2InChIKey=TXDLUVPLSITXLU-UHFFFAOYSA-N174.5Ex 174.52(BP est) 1.78(MP est) ----(BP exp) ----(MP exp) NOC(Cl)=CBr 1.8PredN
NOC=C(Cl)Br9116172.406C2H3BrClNOO-(2-bromo-2-chlorovinyl)hydroxylamineN96NOC=C(Cl)BrInChI=1S/C2H3BrClNO/c3-2(4)1-6-5/h1H,5H2InChIKey=OQCOEHKCZOMFMQ-UHFFFAOYSA-N174.5Ex 174.52(BP est) 1.78(MP est) ----(BP exp) ----(MP exp) NOC=C(Cl)Br 1.8PredN
CN(C(Cl)Br)C9117172.45C3H7BrClN1-bromo-1-chloro-N,N-dimethylmethanamineN136CN(C(Cl)Br)CInChI=1S/C3H7BrClN/c1-6(2)3(4)5/h3H,1-2H3InChIKey=QFUNAAOHPIKWRS-UHFFFAOYSA-N136.9Ex 136.93(BP est) -38.06(MP est) ----(BP exp) ----(MP exp) CN(C(Cl)Br)C -38.1PredN
CNC(Cl)(C)Br9118172.45C3H7BrClN1-bromo-1-chloro-N-methylethan-1-amineN136CNC(Cl)(C)BrInChI=1S/C3H7BrClN/c1-3(4,5)6-2/h6H,1-2H3InChIKey=BYTPKVPAILVLCK-UHFFFAOYSA-N136.0Ex 135.95(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(C)Br -19.5PredN
NC(Cl)(CC)Br9119172.45C3H7BrClN1-bromo-1-chloropropan-1-amineN136NC(Cl)(CC)BrInChI=1S/C3H7BrClN/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=HHBLWBRFJULGIF-UHFFFAOYSA-N153.4Ex 153.38(BP est) 0.85(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CC)Br 0.9PredN
NC(C)(C(Br)Cl)9120172.45C3H7BrClN1-bromo-1-chloropropan-2-amineN136NC(C)(C(Br)Cl)InChI=1S/C3H7BrClN/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=XEFLHNKXKGPDDX-UHFFFAOYSA-N160.7Ex 160.73(BP est) -13.21(MP est) ----(BP exp) ----(MP exp) NC(C)(C(Br)Cl) -13.2PredN
CNC(Br)(CCl)9121172.45C3H7BrClN1-bromo-2-chloro-N-methylethan-1-amineN136CNC(Br)(CCl)InChI=1S/C3H7BrClN/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=JWTOQDMNVBGAOK-UHFFFAOYSA-N168.6Ex 168.60(BP est) -18.71(MP est) ----(BP exp) ----(MP exp) CNC(Br)(CCl) -18.7PredN
NC(Br)(C(Cl)C)9122172.45C3H7BrClN1-bromo-2-chloropropan-1-amineN136NC(Br)(C(Cl)C)InChI=1S/C3H7BrClN/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=IRABEMYUZIFMBR-UHFFFAOYSA-N160.7Ex 160.73(BP est) -13.21(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Cl)C) -13.2PredN
NC(C)(CBr)Cl9123172.45C3H7BrClN1-bromo-2-chloropropan-2-amineN136NC(C)(CBr)ClInChI=1S/C3H7BrClN/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=CZASKMWQTIXGLW-UHFFFAOYSA-N153.4Ex 153.38(BP est) 0.85(MP est) ----(BP exp) ----(MP exp) NC(C)(CBr)Cl 0.9PredN
NC(Br)(CCCl)9124172.45C3H7BrClN1-bromo-3-chloropropan-1-amineN136NC(Br)(CCCl)InChI=1S/C3H7BrClN/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=VGPGVVSFZKJAFT-UHFFFAOYSA-N185.0Ex 184.97(BP est) 1.37(MP est) ----(BP exp) ----(MP exp) NC(Br)(CCCl) 1.4PredN
NC(CCl)(CBr)9125172.45C3H7BrClN1-bromo-3-chloropropan-2-amineN136NC(CCl)(CBr)InChI=1S/C3H7BrClN/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=CWKXKSWQRYECJD-UHFFFAOYSA-N185.0Ex 184.97(BP est) 1.37(MP est) ----(BP exp) ----(MP exp) NC(CCl)(CBr) 1.4PredN
C(Cl)NC(Br)(C)9126172.45C3H7BrClN1-bromo-N-(chloromethyl)ethan-1-amineN136C(Cl)NC(Br)(C)InChI=1S/C3H7BrClN/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=IECCWRVTOUAIPX-UHFFFAOYSA-N168.6Ex 168.60(BP est) -18.71(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Br)(C) -18.7PredN
CN(C(Cl))C(Br)9127172.45C3H7BrClN1-bromo-N-(chloromethyl)-N-methylmethanamineN136CN(C(Cl))C(Br)InChI=1S/C3H7BrClN/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=OUWOMSWGGSEFFZ-UHFFFAOYSA-N162.3Ex 162.28(BP est) -23.15(MP est) ----(BP exp) ----(MP exp) CN(C(Cl))C(Br) -23.2PredN
CNC(CBr)Cl9128172.45C3H7BrClN2-bromo-1-chloro-N-methylethan-1-amineN136CNC(CBr)ClInChI=1S/C3H7BrClN/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=BTTYYJYWVVQANY-UHFFFAOYSA-N156.8Ex 156.84(BP est) -22.15(MP est) ----(BP exp) ----(MP exp) CNC(CBr)Cl -22.2PredN
NC(Cl)(C(Br)C)9129172.45C3H7BrClN2-bromo-1-chloropropan-1-amineN136NC(Cl)(C(Br)C)InChI=1S/C3H7BrClN/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=VOAKAXYVSMPSFL-UHFFFAOYSA-N160.7Ex 160.73(BP est) -13.21(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Br)C) -13.2PredN
NC(Br)(C)(CCl)9130172.45C3H7BrClN2-bromo-1-chloropropan-2-amineN136NC(Br)(C)(CCl)InChI=1S/C3H7BrClN/c1-3(4,6)2-5/h2,6H2,1H3InChIKey=WRIQRSDCZKJRFC-UHFFFAOYSA-N176.7Ex 176.74(BP est) 7.67(MP est) ----(BP exp) ----(MP exp) NC(Br)(C)(CCl) 7.7PredN
CNCC(Cl)Br9131172.45C3H7BrClN2-bromo-2-chloro-N-methylethan-1-amineN136CNCC(Cl)BrInChI=1S/C3H7BrClN/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=OMNIPFGBWPCLLP-UHFFFAOYSA-N156.8Ex 156.84(BP est) -22.15(MP est) ----(BP exp) ----(MP exp) CNCC(Cl)Br -22.2PredN
NCC(Cl)(C)Br9132172.45C3H7BrClN2-bromo-2-chloropropan-1-amineN136NCC(Cl)(C)BrInChI=1S/C3H7BrClN/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=ZUEOCYICVWGQEC-UHFFFAOYSA-N153.4Ex 153.38(BP est) 0.85(MP est) ----(BP exp) ----(MP exp) NCC(Cl)(C)Br 0.9PredN
NC(C(Br)CCl)9133172.45C3H7BrClN2-bromo-3-chloropropan-1-amineN136NC(C(Br)CCl)InChI=1S/C3H7BrClN/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=JOYONMXXCOROHI-UHFFFAOYSA-N185.0Ex 184.97(BP est) 1.37(MP est) ----(BP exp) ----(MP exp) NC(C(Br)CCl) 1.4PredN
C(Cl)NC(CBr)9134172.45C3H7BrClN2-bromo-N-(chloromethyl)ethan-1-amineN136C(Cl)NC(CBr)InChI=1S/C3H7BrClN/c4-1-2-6-3-5/h6H,1-3H2InChIKey=HMWOZWAZNAKRTJ-UHFFFAOYSA-N181.3Ex 181.27(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(CBr) -7.5PredN
NC(Cl)(CCBr)9135172.45C3H7BrClN3-bromo-1-chloropropan-1-amineN136NC(Cl)(CCBr)InChI=1S/C3H7BrClN/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=DUSMCDOTYNXSLD-UHFFFAOYSA-N173.6Ex 173.60(BP est) -1.95(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CCBr) -2PredN
NC(C(Cl)CBr)9136172.45C3H7BrClN3-bromo-2-chloropropan-1-amineN136NC(C(Cl)CBr)InChI=1S/C3H7BrClN/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=HEULNHUWPCKNKS-UHFFFAOYSA-N173.6Ex 173.60(BP est) -1.95(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)CBr) -2PredN
NC(CC(Br)Cl)9137172.45C3H7BrClN3-bromo-3-chloropropan-1-amineN136NC(CC(Br)Cl)InChI=1S/C3H7BrClN/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=MINNAGDFCQQJGG-UHFFFAOYSA-N173.6Ex 173.60(BP est) -1.95(MP est) ----(BP exp) ----(MP exp) NC(CC(Br)Cl) -2PredN
BrC(NCC)Cl9138172.45C3H7BrClNN-(bromochloromethyl)ethanamineN136BrC(NCC)ClInChI=1S/C3H7BrClN/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=HBCUCAKVYYIYPI-UHFFFAOYSA-N156.8Ex 156.84(BP est) -22.15(MP est) ----(BP exp) ----(MP exp) BrC(NCC)Cl -22.2PredN
BrCNC(C)Cl9139172.45C3H7BrClNN-(bromomethyl)-1-chloroethan-1-amineN136BrCNC(C)ClInChI=1S/C3H7BrClN/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=WQDBBEKCDDTPJQ-UHFFFAOYSA-N156.8Ex 156.84(BP est) -22.15(MP est) ----(BP exp) ----(MP exp) BrCNC(C)Cl -22.2PredN
C(Br)NC(CCl)9140172.45C3H7BrClNN-(bromomethyl)-2-chloroethan-1-amineN136C(Br)NC(CCl)InChI=1S/C3H7BrClN/c4-3-6-2-1-5/h6H,1-3H2InChIKey=NGOPTGJANDGAHV-UHFFFAOYSA-N181.3Ex 181.27(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) C(Br)NC(CCl) -7.5PredN
O=PC(C)(Br)F9142172.921C2H3BrFOP(1-bromo-1-fluoroethyl)(oxo)phosphaneN96O=PC(C)(Br)FInChI=1S/C2H3BrFOP/c1-2(3,4)6-5/h1H3InChIKey=MJCSWDFYINBDPW-UHFFFAOYSA-N139.6Ex 139.56(BP est) -31.93(MP est) ----(BP exp) ----(MP exp) O=PC(C)(Br)F -31.9PredN
O=PC(Br)CF9143172.921C2H3BrFOP(1-bromo-2-fluoroethyl)(oxo)phosphaneN96O=PC(Br)CFInChI=1S/C2H3BrFOP/c3-2(1-4)6-5/h2H,1H2InChIKey=MTNMCWVAHXWLHW-UHFFFAOYSA-N148.4Ex 148.40(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CF -38.1PredN
O=PC(F)CBr9145172.921C2H3BrFOP(2-bromo-1-fluoroethyl)(oxo)phosphaneN96O=PC(F)CBrInChI=1S/C2H3BrFOP/c3-1-2(4)6-5/h2H,1H2InChIKey=XKGUMXDXEUOODK-UHFFFAOYSA-N148.4Ex 148.40(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) O=PC(F)CBr -38.1PredN
O=PCC(Br)F9147172.921C2H3BrFOP(2-bromo-2-fluoroethyl)(oxo)phosphaneN96O=PCC(Br)FInChI=1S/C2H3BrFOP/c3-2(4)1-6-5/h2H,1H2InChIKey=PCYDYTSSGMDQRJ-UHFFFAOYSA-N148.4Ex 148.40(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) O=PCC(Br)F -38.1PredN
O=P1C(F)(Br)C19150172.921C2H3BrFOP2-bromo-2-fluorophosphirane 1-oxideN96O=P1C(F)(Br)C1InChI=1S/C2H3BrFOP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=ITNZANCYVVWCRN-UHFFFAOYSA-N149.8Ex 149.75(BP est) -15.67(MP est) ----(BP exp) ----(MP exp) O=P1C(F)(Br)C1 -15.7PredN
O=P1C(F)C1Br9152172.921C2H3BrFOP2-bromo-3-fluorophosphirane 1-oxideN96O=P1C(F)C1BrInChI=1S/C2H3BrFOP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=ICIHWGNRWUOQBD-UHFFFAOYSA-N155.0Ex 154.98(BP est) -28.21(MP est) ----(BP exp) ----(MP exp) O=P1C(F)C1Br -28.2PredN
O=P(C(Br)C)O9153172.946C2H6BrO2P(1-bromoethyl)phosphinic acidN126O=P(C(Br)C)OInChI=1S/C2H6BrO2P/c1-2(3)6(4)5/h2,6H,1H3,(H,4,5)InChIKey=CTYINTKYFVMGFJ-UHFFFAOYSA-N235.0Ex 235.02(BP est) 9.16(MP est) ----(BP exp) ----(MP exp) O=P(C(Br)C)O 9.2PredN
O=P(CCBr)O9154172.946C2H6BrO2P(2-bromoethyl)phosphinic acidN126O=P(CCBr)OInChI=1S/C2H6BrO2P/c3-1-2-6(4)5/h6H,1-2H2,(H,4,5)InChIKey=KNDCZSYIQYBMKU-UHFFFAOYSA-N245.9Ex 245.86(BP est) 19.83(MP est) ----(BP exp) ----(MP exp) O=P(CCBr)O 19.8PredN
O=P(O)(C)CBr9155172.946C2H6BrO2P(bromomethyl)(methyl)phosphinic acidN126O=P(O)(C)CBrInChI=1S/C2H6BrO2P/c1-6(4,5)2-3/h2H2,1H3,(H,4,5)InChIKey=AXPKZXNFSOGCSX-UHFFFAOYSA-N244.2Ex 244.22(BP est) 11.16(MP est) ----(BP exp) ----(MP exp) O=P(O)(C)CBr 11.2PredN
O=P(CBr)OC9156172.946C2H6BrO2Pmethyl (bromomethyl)phosphinateN126O=P(CBr)OCInChI=1S/C2H6BrO2P/c1-5-6(4)2-3/h6H,2H2,1H3InChIKey=DKAQUOOBORGRAA-UHFFFAOYSA-N179.6Ex 179.57(BP est) -18.82(MP est) ----(BP exp) ----(MP exp) O=P(CBr)OC -18.8PredN
NOCI9158172.953CH4INOO-(iodomethyl)hydroxylamineN84NOCIInChI=1S/CH4INO/c2-1-4-3/h1,3H2InChIKey=AEGUDWNTCZIVBD-UHFFFAOYSA-N151.4Ex 151.42(BP est) -16.91(MP est) ----(BP exp) ----(MP exp) NOCI -16.9PredN
CPC(C)(Br)F9159172.965C3H7BrFP(1-bromo-1-fluoroethyl)(methyl)phosphaneN136CPC(C)(Br)FInChI=1S/C3H7BrFP/c1-3(4,5)6-2/h6H,1-2H3InChIKey=XZGXZIURZOYCIQ-UHFFFAOYSA-N96.5Ex 96.51(BP est) -64.55(MP est) ----(BP exp) ----(MP exp) CPC(C)(Br)F -64.6PredN
PC(CC)(Br)F9160172.965C3H7BrFP(1-bromo-1-fluoropropyl)phosphaneN136PC(CC)(Br)FInChI=1S/C3H7BrFP/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=OBBLYMIQLZOSDA-UHFFFAOYSA-N116.9Ex 116.93(BP est) -50.40(MP est) ----(BP exp) ----(MP exp) PC(CC)(Br)F -50.4PredN
CPC(Br)CF9161172.965C3H7BrFP(1-bromo-2-fluoroethyl)(methyl)phosphaneN136CPC(Br)CFInChI=1S/C3H7BrFP/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=HXVHNYKRXVDQIR-UHFFFAOYSA-N106.0Ex 106.01(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) CPC(Br)CF -70.5PredN
PC(Br)C(F)C9162172.965C3H7BrFP(1-bromo-2-fluoropropyl)phosphaneN136PC(Br)C(F)CInChI=1S/C3H7BrFP/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=OTVJIEBRXZTKQN-UHFFFAOYSA-N112.1Ex 112.08(BP est) -68.02(MP est) ----(BP exp) ----(MP exp) PC(Br)C(F)C -68PredN
PC(Br)CCF9163172.965C3H7BrFP(1-bromo-3-fluoropropyl)phosphaneN136PC(Br)CCFInChI=1S/C3H7BrFP/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=MKRVDLUNBUDFFS-UHFFFAOYSA-N126.1Ex 126.12(BP est) -56.42(MP est) ----(BP exp) ----(MP exp) PC(Br)CCF -56.4PredN
FCPC(Br)C9164172.965C3H7BrFP(1-bromoethyl)(fluoromethyl)phosphaneN136FCPC(Br)CInChI=1S/C3H7BrFP/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=FXNGYLHOAMLXDK-UHFFFAOYSA-N106.0Ex 106.01(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) FCPC(Br)C -70.5PredN
CPC(F)CBr9165172.965C3H7BrFP(2-bromo-1-fluoroethyl)(methyl)phosphaneN136CPC(F)CBrInChI=1S/C3H7BrFP/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=LMQXMASZEKQQJD-UHFFFAOYSA-N106.0Ex 106.01(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) CPC(F)CBr -70.5PredN
PC(F)C(Br)C9166172.965C3H7BrFP(2-bromo-1-fluoropropyl)phosphaneN136PC(F)C(Br)CInChI=1S/C3H7BrFP/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=IWKFIHMYIUDPAK-UHFFFAOYSA-N112.1Ex 112.08(BP est) -68.02(MP est) ----(BP exp) ----(MP exp) PC(F)C(Br)C -68PredN
CPCC(Br)F9167172.965C3H7BrFP(2-bromo-2-fluoroethyl)(methyl)phosphaneN136CPCC(Br)FInChI=1S/C3H7BrFP/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=CUHAWSAPMUTQFX-UHFFFAOYSA-N106.0Ex 106.01(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) CPCC(Br)F -70.5PredN
PCC(C)(Br)F9168172.965C3H7BrFP(2-bromo-2-fluoropropyl)phosphaneN136PCC(C)(Br)FInChI=1S/C3H7BrFP/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=FBDCNTRVYHKYRX-UHFFFAOYSA-N116.9Ex 116.93(BP est) -50.40(MP est) ----(BP exp) ----(MP exp) PCC(C)(Br)F -50.4PredN
PCC(Br)CF9169172.965C3H7BrFP(2-bromo-3-fluoropropyl)phosphaneN136PCC(Br)CFInChI=1S/C3H7BrFP/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=PJVQTIDDMCOTAT-UHFFFAOYSA-N126.1Ex 126.12(BP est) -56.42(MP est) ----(BP exp) ----(MP exp) PCC(Br)CF -56.4PredN
FCPCCBr9170172.965C3H7BrFP(2-bromoethyl)(fluoromethyl)phosphaneN136FCPCCBrInChI=1S/C3H7BrFP/c4-1-2-6-3-5/h6H,1-3H2InChIKey=MHNCDLVHKYRDGW-UHFFFAOYSA-N120.2Ex 120.19(BP est) -58.84(MP est) ----(BP exp) ----(MP exp) FCPCCBr -58.8PredN
PC(F)CCBr9171172.965C3H7BrFP(3-bromo-1-fluoropropyl)phosphaneN136PC(F)CCBrInChI=1S/C3H7BrFP/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=JRLPJCVRKSWCOV-UHFFFAOYSA-N126.1Ex 126.12(BP est) -56.42(MP est) ----(BP exp) ----(MP exp) PC(F)CCBr -56.4PredN
PCC(F)CBr9172172.965C3H7BrFP(3-bromo-2-fluoropropyl)phosphaneN136PCC(F)CBrInChI=1S/C3H7BrFP/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=RRSMLDARTRWNAI-UHFFFAOYSA-N126.1Ex 126.12(BP est) -56.42(MP est) ----(BP exp) ----(MP exp) PCC(F)CBr -56.4PredN
PCCC(Br)F9173172.965C3H7BrFP(3-bromo-3-fluoropropyl)phosphaneN136PCCC(Br)FInChI=1S/C3H7BrFP/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=UIYBCZUMCMDCPI-UHFFFAOYSA-N126.1Ex 126.12(BP est) -56.42(MP est) ----(BP exp) ----(MP exp) PCCC(Br)F -56.4PredN
BrC(PCC)F9174172.965C3H7BrFP(bromofluoromethyl)(ethyl)phosphaneN136BrC(PCC)FInChI=1S/C3H7BrFP/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=ZLLXJIQFYWGSFA-UHFFFAOYSA-N106.0Ex 106.01(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) BrC(PCC)F -70.5PredN
CP(C)C(Br)F9175172.965C3H7BrFP(bromofluoromethyl)dimethylphosphaneN136CP(C)C(Br)FInChI=1S/C3H7BrFP/c1-6(2)3(4)5/h3H,1-2H3InChIKey=ZNNIEEZNVOQMSJ-UHFFFAOYSA-N107.0Ex 106.96(BP est) -70.89(MP est) ----(BP exp) ----(MP exp) CP(C)C(Br)F -70.9PredN
BrCPC(F)C9176172.965C3H7BrFP(bromomethyl)(1-fluoroethyl)phosphaneN136BrCPC(F)CInChI=1S/C3H7BrFP/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=AXKQSQATXRNHAU-UHFFFAOYSA-N106.0Ex 106.01(BP est) -70.48(MP est) ----(BP exp) ----(MP exp) BrCPC(F)C -70.5PredN
BrCPCCF9177172.965C3H7BrFP(bromomethyl)(2-fluoroethyl)phosphaneN136BrCPCCFInChI=1S/C3H7BrFP/c4-3-6-2-1-5/h6H,1-3H2InChIKey=AOUINELQNYJGJX-UHFFFAOYSA-N120.2Ex 120.19(BP est) -58.84(MP est) ----(BP exp) ----(MP exp) BrCPCCF -58.8PredN
CP(CBr)CF9178172.965C3H7BrFP(bromomethyl)(fluoromethyl)(methyl)phosphaneN136CP(CBr)CFInChI=1S/C3H7BrFP/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=JFGMBOLXSZLLLJ-UHFFFAOYSA-N121.1Ex 121.12(BP est) -59.25(MP est) ----(BP exp) ----(MP exp) CP(CBr)CF -59.3PredN
F[Si]1(CC1Br)F9179173.032C2H3BrF2Si2-bromo-1,1-difluorosiliraneN96F[Si]1(CC1Br)FInChI=1S/C2H3BrF2Si/c3-2-1-6(2,4)5/h2H,1H2InChIKey=PKINEGGIRAPWHG-UHFFFAOYSA-N43.7Ex 43.66(BP est) -38.87(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1Br)F -38.9PredN
CSC(Br)(F)(C)9180173.043C3H6BrFS(1-bromo-1-fluoroethyl)(methyl)sulfaneN126CSC(Br)(F)(C)InChI=1S/C3H6BrFS/c1-3(4,5)6-2/h1-2H3InChIKey=JNSXLGYXXBOHNE-UHFFFAOYSA-N124.7Ex 124.67(BP est) -46.62(MP est) ----(BP exp) ----(MP exp) CSC(Br)(F)(C) -46.6PredN
CSC(Br)(CF)9181173.043C3H6BrFS(1-bromo-2-fluoroethyl)(methyl)sulfaneN126CSC(Br)(CF)InChI=1S/C3H6BrFS/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=SSFDSEVBVIGDJZ-UHFFFAOYSA-N133.8Ex 133.75(BP est) -52.68(MP est) ----(BP exp) ----(MP exp) CSC(Br)(CF) -52.7PredN
C(F)SC(Br)(C)9182173.043C3H6BrFS(1-bromoethyl)(fluoromethyl)sulfaneN126C(F)SC(Br)(C)InChI=1S/C3H6BrFS/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=MYLITPSYMQNSOI-UHFFFAOYSA-N133.8Ex 133.75(BP est) -52.68(MP est) ----(BP exp) ----(MP exp) C(F)SC(Br)(C) -52.7PredN
CSC(F)(CBr)9183173.043C3H6BrFS(2-bromo-1-fluoroethyl)(methyl)sulfaneN126CSC(F)(CBr)InChI=1S/C3H6BrFS/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=ZODVUAGIKFNRRL-UHFFFAOYSA-N133.8Ex 133.75(BP est) -52.68(MP est) ----(BP exp) ----(MP exp) CSC(F)(CBr) -52.7PredN
CSC(C(Br)F)9184173.043C3H6BrFS(2-bromo-2-fluoroethyl)(methyl)sulfaneN126CSC(C(Br)F)InChI=1S/C3H6BrFS/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=GURZRKKXNVSKAR-UHFFFAOYSA-N133.8Ex 133.75(BP est) -52.68(MP est) ----(BP exp) ----(MP exp) CSC(C(Br)F) -52.7PredN
C(F)SC(CBr)9185173.043C3H6BrFS(2-bromoethyl)(fluoromethyl)sulfaneN126C(F)SC(CBr)InChI=1S/C3H6BrFS/c4-1-2-6-3-5/h1-3H2InChIKey=RWZOGEPWVNBNRU-UHFFFAOYSA-N147.3Ex 147.28(BP est) -41.23(MP est) ----(BP exp) ----(MP exp) C(F)SC(CBr) -41.2PredN
C(Br)(F)SC(C)9186173.043C3H6BrFS(bromofluoromethyl)(ethyl)sulfaneN126C(Br)(F)SC(C)InChI=1S/C3H6BrFS/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=VLKMQYIDWNIHMS-UHFFFAOYSA-N133.8Ex 133.75(BP est) -52.68(MP est) ----(BP exp) ----(MP exp) C(Br)(F)SC(C) -52.7PredN
C(Br)SC(F)(C)9187173.043C3H6BrFS(bromomethyl)(1-fluoroethyl)sulfaneN126C(Br)SC(F)(C)InChI=1S/C3H6BrFS/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=MNHSZUPXQGIDRD-UHFFFAOYSA-N133.8Ex 133.75(BP est) -52.68(MP est) ----(BP exp) ----(MP exp) C(Br)SC(F)(C) -52.7PredN
C(Br)SC(CF)9188173.043C3H6BrFS(bromomethyl)(2-fluoroethyl)sulfaneN126C(Br)SC(CF)InChI=1S/C3H6BrFS/c4-3-6-2-1-5/h1-3H2InChIKey=ZDOBIBLEPKXCFA-UHFFFAOYSA-N147.3Ex 147.28(BP est) -41.23(MP est) ----(BP exp) ----(MP exp) C(Br)SC(CF) -41.2PredN
SC(Br)(F)(CC)9189173.043C3H6BrFS1-bromo-1-fluoropropane-1-thiolN126SC(Br)(F)(CC)InChI=1S/C3H6BrFS/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=YSTYTXFMHLGWJT-UHFFFAOYSA-N138.4Ex 138.35(BP est) -41.60(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(CC) -41.6PredN
SC(C)(C(Br)F)9190173.043C3H6BrFS1-bromo-1-fluoropropane-2-thiolN126SC(C)(C(Br)F)InChI=1S/C3H6BrFS/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=VUWOZNSZROBMRU-UHFFFAOYSA-N133.7Ex 133.68(BP est) -59.17(MP est) ----(BP exp) ----(MP exp) SC(C)(C(Br)F) -59.2PredN
SC(Br)(C(F)C)9191173.043C3H6BrFS1-bromo-2-fluoropropane-1-thiolN126SC(Br)(C(F)C)InChI=1S/C3H6BrFS/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=XORLBCSJRRHMJI-UHFFFAOYSA-N133.7Ex 133.68(BP est) -59.17(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(F)C) -59.2PredN
SC(F)(C)(CBr)9192173.043C3H6BrFS1-bromo-2-fluoropropane-2-thiolN126SC(F)(C)(CBr)InChI=1S/C3H6BrFS/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=RZGADUIZMQTPAO-UHFFFAOYSA-N138.4Ex 138.35(BP est) -41.60(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(CBr) -41.6PredN
SC(Br)(CCF)9193173.043C3H6BrFS1-bromo-3-fluoropropane-1-thiolN126SC(Br)(CCF)InChI=1S/C3H6BrFS/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=FKKFAMQWEBIYOM-UHFFFAOYSA-N147.2Ex 147.21(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) SC(Br)(CCF) -47.7PredN
SC(CBr)(CF)9194173.043C3H6BrFS1-bromo-3-fluoropropane-2-thiolN126SC(CBr)(CF)InChI=1S/C3H6BrFS/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=YPQFBJVWLBBLGT-UHFFFAOYSA-N147.2Ex 147.21(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) SC(CBr)(CF) -47.7PredN
SC(F)(C(Br)C)9195173.043C3H6BrFS2-bromo-1-fluoropropane-1-thiolN126SC(F)(C(Br)C)InChI=1S/C3H6BrFS/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=IEJSATXQXSGZET-UHFFFAOYSA-N133.7Ex 133.68(BP est) -59.17(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Br)C) -59.2PredN
SC(Br)(C)(CF)9196173.043C3H6BrFS2-bromo-1-fluoropropane-2-thiolN126SC(Br)(C)(CF)InChI=1S/C3H6BrFS/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=TUAAZDFDQIDDOU-UHFFFAOYSA-N138.4Ex 138.35(BP est) -41.60(MP est) ----(BP exp) ----(MP exp) SC(Br)(C)(CF) -41.6PredN
SC(C(Br)(F)C)9197173.043C3H6BrFS2-bromo-2-fluoropropane-1-thiolN126SC(C(Br)(F)C)InChI=1S/C3H6BrFS/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=JESCBVXOTRWLAZ-UHFFFAOYSA-N138.4Ex 138.35(BP est) -41.60(MP est) ----(BP exp) ----(MP exp) SC(C(Br)(F)C) -41.6PredN
SC(C(Br)CF)9198173.043C3H6BrFS2-bromo-3-fluoropropane-1-thiolN126SC(C(Br)CF)InChI=1S/C3H6BrFS/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=XRXYAUKQDXCWDC-UHFFFAOYSA-N147.2Ex 147.21(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) SC(C(Br)CF) -47.7PredN
SC(F)(CCBr)9199173.043C3H6BrFS3-bromo-1-fluoropropane-1-thiolN126SC(F)(CCBr)InChI=1S/C3H6BrFS/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=WYEJLJSDRWFGOO-UHFFFAOYSA-N147.2Ex 147.21(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) SC(F)(CCBr) -47.7PredN
SC(C(F)CBr)9200173.043C3H6BrFS3-bromo-2-fluoropropane-1-thiolN126SC(C(F)CBr)InChI=1S/C3H6BrFS/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=OOYNDKSWALUVMH-UHFFFAOYSA-N147.2Ex 147.21(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) SC(C(F)CBr) -47.7PredN
SC(CC(Br)F)9201173.043C3H6BrFS3-bromo-3-fluoropropane-1-thiolN126SC(CC(Br)F)InChI=1S/C3H6BrFS/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=CMORXSNYASREPV-UHFFFAOYSA-N147.2Ex 147.21(BP est) -47.72(MP est) ----(BP exp) ----(MP exp) SC(CC(Br)F) -47.7PredN
F[Si](CBr)(O)C9202173.056C2H6BrFOSi(bromomethyl)fluoro(methyl)silanolN126F[Si](CBr)(O)CInChI=1S/C2H6BrFOSi/c1-6(4,5)2-3/h5H,2H2,1H3InChIKey=XCADYRCOZPADLJ-UHFFFAOYSA-N160.2Ex 160.23(BP est) -25.95(MP est) ----(BP exp) ----(MP exp) F[Si](CBr)(O)C -26PredN
CSSC(Br)9203173.086C2H5BrS21-(bromomethyl)-2-methyldisulfaneN105CSSC(Br)InChI=1S/C2H5BrS2/c1-4-5-2-3/h2H2,1H3InChIKey=OBRXCGPLJIZGHJ-UHFFFAOYSA-N185.1Ex 185.08(BP est) -18.93(MP est) ----(BP exp) ----(MP exp) CSSC(Br) -18.9PredN
PC(Br)=CCl9206173.374C2H3BrClP(1-bromo-2-chlorovinyl)phosphaneN85PC(Br)=CClInChI=1S/C2H3BrClP/c3-2(5)1-4/h1H,5H2InChIKey=ITOKJCBQUUSSCO-UHFFFAOYSA-N149.6Ex 149.57(BP est) -42.57(MP est) ----(BP exp) ----(MP exp) PC(Br)=CCl -42.6PredN
PC(Cl)=CBr9207173.374C2H3BrClP(2-bromo-1-chlorovinyl)phosphaneN85PC(Cl)=CBrInChI=1S/C2H3BrClP/c3-1-2(4)5/h1H,5H2InChIKey=HIZJHWVQJMHFOE-UHFFFAOYSA-N149.6Ex 149.57(BP est) -42.57(MP est) ----(BP exp) ----(MP exp) PC(Cl)=CBr -42.6PredN
PC=C(Br)Cl9208173.374C2H3BrClP(2-bromo-2-chlorovinyl)phosphaneN85PC=C(Br)ClInChI=1S/C2H3BrClP/c3-2(4)1-5/h1H,5H2InChIKey=KKGYACLOXMTRMK-UHFFFAOYSA-N149.6Ex 149.57(BP est) -42.57(MP est) ----(BP exp) ----(MP exp) PC=C(Br)Cl -42.6PredN
BrC1(Cl)CP19209173.374C2H3BrClP2-bromo-2-chlorophosphiraneN85BrC1(Cl)CP1InChI=1S/C2H3BrClP/c3-2(4)1-5-2/h5H,1H2InChIKey=UTTMCCUMTHXRHY-UHFFFAOYSA-N121.2Ex 121.15(BP est) -26.85(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CP1 -26.9PredN
ClC1C(Br)P19210173.374C2H3BrClP2-bromo-3-chlorophosphiraneN85ClC1C(Br)P1InChI=1S/C2H3BrClP/c3-1-2(4)5-1/h1-2,5HInChIKey=JTVQGXYYZFMDRM-UHFFFAOYSA-N139.0Ex 139.03(BP est) -35.70(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)P1 -35.7PredN
OC(=O)C(Br)(Cl)9211173.39C2H2BrClO22-bromo-2-chloroacetic acidN86OC(=O)C(Br)(Cl)InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=GEHJBWKLJVFKPS-UHFFFAOYSA-N215.0Ex 222.58(BP est) 35.69(MP est) 215.00(BP exp) 31.50(MP exp) OC(=O)C(Br)(Cl) 31.5ExptY(Kladi et al. 2004)
C(C1F)(C1(Br)Cl)9212173.409C3H3BrClF1-bromo-1-chloro-2-fluorocyclopropaneN96C(C1F)(C1(Br)Cl)InChI=1S/C3H3BrClF/c4-3(5)1-2(3)6/h2H,1H2InChIKey=SQHIGPHCABHJFX-UHFFFAOYSA-N102.9Ex 102.91(BP est) -37.63(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(Br)Cl) -37.6PredN
C(C(F)=C(Br)Cl)9213173.409C3H3BrClF1-bromo-1-chloro-2-fluoroprop-1-eneN96C(C(F)=C(Br)Cl)InChI=1S/C3H3BrClF/c1-2(6)3(4)5/h1H3InChIKey=XESWWPNFUQLJIH-UHFFFAOYSA-N110.5Ex 110.53(BP est) -70.70(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(Br)Cl) -70.7PredN
C(F)(C=C(Br)Cl)9214173.409C3H3BrClF1-bromo-1-chloro-3-fluoroprop-1-eneN96C(F)(C=C(Br)Cl)InChI=1S/C3H3BrClF/c4-3(5)1-2-6/h1H,2H2InChIKey=WRCCNRJWYGXKFY-UHFFFAOYSA-N117.0Ex 116.95(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(Br)Cl) -61.9PredN
C(C1Cl)(C1(Br)F)9215173.409C3H3BrClF1-bromo-2-chloro-1-fluorocyclopropaneN96C(C1Cl)(C1(Br)F)InChI=1S/C3H3BrClF/c4-3(6)1-2(3)5/h2H,1H2InChIKey=CLNOJUCCWRBXDB-UHFFFAOYSA-N115.8Ex 115.79(BP est) -33.87(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1(Br)F) -33.9PredN
C(C(Cl)=C(Br)F)9216173.409C3H3BrClF1-bromo-2-chloro-1-fluoroprop-1-eneN96C(C(Cl)=C(Br)F)InChI=1S/C3H3BrClF/c1-2(5)3(4)6/h1H3InChIKey=VBKFZXYDSVHBBJ-UHFFFAOYSA-N110.5Ex 110.53(BP est) -70.70(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=C(Br)F) -70.7PredN
C(Cl)(C1Br)(C1F)9217173.409C3H3BrClF1-bromo-2-chloro-3-fluorocyclopropaneN96C(Cl)(C1Br)(C1F)InChI=1S/C3H3BrClF/c4-1-2(5)3(1)6/h1-3HInChIKey=GRLXAKNIUUSWML-UHFFFAOYSA-N121.3Ex 121.33(BP est) -46.32(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1Br)(C1F) -46.3PredN
C(F)(C(Cl)=CBr)9218173.409C3H3BrClF1-bromo-2-chloro-3-fluoroprop-1-eneN96C(F)(C(Cl)=CBr)InChI=1S/C3H3BrClF/c4-1-3(5)2-6/h1H,2H2InChIKey=WFGPIFRDOFTRJV-UHFFFAOYSA-N117.0Ex 116.95(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)=CBr) -61.9PredN
C(Cl)(C=C(Br)F)9219173.409C3H3BrClF1-bromo-3-chloro-1-fluoroprop-1-eneN96C(Cl)(C=C(Br)F)InChI=1S/C3H3BrClF/c4-3(6)1-2-5/h1H,2H2InChIKey=IYVMBXVGKWHTRJ-UHFFFAOYSA-N143.9Ex 143.88(BP est) -53.99(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(Br)F) -54PredN
C(Cl)(C(F)=CBr)9220173.409C3H3BrClF1-bromo-3-chloro-2-fluoroprop-1-eneN96C(Cl)(C(F)=CBr)InChI=1S/C3H3BrClF/c4-1-3(6)2-5/h1H,2H2InChIKey=PXGILVFQWPZBGM-UHFFFAOYSA-N143.9Ex 143.88(BP est) -53.99(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)=CBr) -54PredN
C(Cl)(F)(C=CBr)9221173.409C3H3BrClF1-bromo-3-chloro-3-fluoroprop-1-eneN96C(Cl)(F)(C=CBr)InChI=1S/C3H3BrClF/c4-2-1-3(5)6/h1-3HInChIKey=QXBSVPWWDDCACH-UHFFFAOYSA-N124.0Ex 123.99(BP est) -60.31(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C=CBr) -60.3PredN
C(C1Br)(C1(Cl)F)9222173.409C3H3BrClF2-bromo-1-chloro-1-fluorocyclopropaneN96C(C1Br)(C1(Cl)F)InChI=1S/C3H3BrClF/c4-2-1-3(2,5)6/h2H,1H2InChIKey=CLUOPVNVMWDJCZ-UHFFFAOYSA-N102.9Ex 102.91(BP est) -37.63(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1(Cl)F) -37.6PredN
C(C(Br)=C(Cl)F)9223173.409C3H3BrClF2-bromo-1-chloro-1-fluoroprop-1-eneN96C(C(Br)=C(Cl)F)InChI=1S/C3H3BrClF/c1-2(4)3(5)6/h1H3InChIKey=IAJUDUCBVOBKGI-UHFFFAOYSA-N110.5Ex 110.53(BP est) -70.70(MP est) ----(BP exp) ----(MP exp) C(C(Br)=C(Cl)F) -70.7PredN
C(F)(C(Br)=CCl)9224173.409C3H3BrClF2-bromo-1-chloro-3-fluoroprop-1-eneN96C(F)(C(Br)=CCl)InChI=1S/C3H3BrClF/c4-3(1-5)2-6/h1H,2H2InChIKey=XJNCHXZYXKKEJW-UHFFFAOYSA-N117.0Ex 116.95(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)=CCl) -61.9PredN
C(Cl)(C(Br)=CF)9225173.409C3H3BrClF2-bromo-3-chloro-1-fluoroprop-1-eneN96C(Cl)(C(Br)=CF)InChI=1S/C3H3BrClF/c4-3(1-5)2-6/h2H,1H2InChIKey=BDLPAWBIVCOTAU-UHFFFAOYSA-N143.9Ex 143.88(BP est) -53.99(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)=CF) -54PredN
C(Cl)(F)(C(Br)=C)9226173.409C3H3BrClF2-bromo-3-chloro-3-fluoroprop-1-eneN96C(Cl)(F)(C(Br)=C)InChI=1S/C3H3BrClF/c1-2(4)3(5)6/h3H,1H2InChIKey=XMYSJDAZQDRPFE-UHFFFAOYSA-N108.7Ex 108.65(BP est) -70.11(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(Br)=C) -70.1PredN
C(Br)(C=C(Cl)F)9227173.409C3H3BrClF3-bromo-1-chloro-1-fluoroprop-1-eneN96C(Br)(C=C(Cl)F)InChI=1S/C3H3BrClF/c4-2-1-3(5)6/h1H,2H2InChIKey=DTUUHXVWMMAEIR-UHFFFAOYSA-N117.0Ex 116.95(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) C(Br)(C=C(Cl)F) -61.9PredN
C(Br)(C(F)=CCl)9228173.409C3H3BrClF3-bromo-1-chloro-2-fluoroprop-1-eneN96C(Br)(C(F)=CCl)InChI=1S/C3H3BrClF/c4-1-3(6)2-5/h2H,1H2InChIKey=GXGYBJPQGFETEB-UHFFFAOYSA-N117.0Ex 116.95(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)=CCl) -61.9PredN
C(Br)(F)(C=CCl)9229173.409C3H3BrClF3-bromo-1-chloro-3-fluoroprop-1-eneN96C(Br)(F)(C=CCl)InChI=1S/C3H3BrClF/c4-3(6)1-2-5/h1-3HInChIKey=XBHIEWJWHNVZJI-UHFFFAOYSA-N109.2Ex 109.19(BP est) -64.63(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C=CCl) -64.6PredN
C(Br)(C(Cl)=CF)9230173.409C3H3BrClF3-bromo-2-chloro-1-fluoroprop-1-eneN96C(Br)(C(Cl)=CF)InChI=1S/C3H3BrClF/c4-1-3(5)2-6/h2H,1H2InChIKey=AHZGVMWLQMPRAI-UHFFFAOYSA-N117.0Ex 116.95(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)=CF) -61.9PredN
C(Br)(F)(C(Cl)=C)9231173.409C3H3BrClF3-bromo-2-chloro-3-fluoroprop-1-eneN96C(Br)(F)(C(Cl)=C)InChI=1S/C3H3BrClF/c1-2(5)3(4)6/h3H,1H2InChIKey=QIWZGIUASPIKJH-UHFFFAOYSA-N93.5Ex 93.47(BP est) -74.54(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C(Cl)=C) -74.5PredN
C(Br)(Cl)(C=CF)9232173.409C3H3BrClF3-bromo-3-chloro-1-fluoroprop-1-eneN96C(Br)(Cl)(C=CF)InChI=1S/C3H3BrClF/c4-3(5)1-2-6/h1-3HInChIKey=IUOXDDJFSKRECN-UHFFFAOYSA-N124.0Ex 123.99(BP est) -60.31(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C=CF) -60.3PredN
C(Br)(Cl)(C(F)=C)9233173.409C3H3BrClF3-bromo-3-chloro-2-fluoroprop-1-eneN96C(Br)(Cl)(C(F)=C)InChI=1S/C3H3BrClF/c1-2(6)3(4)5/h3H,1H2InChIKey=VXFPCLDANNLJOM-UHFFFAOYSA-N108.7Ex 108.65(BP est) -70.11(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C(F)=C) -70.1PredN
C(Br)(Cl)(F)(C=C)9234173.409C3H3BrClF3-bromo-3-chloro-3-fluoroprop-1-eneN96C(Br)(Cl)(F)(C=C)InChI=1S/C3H3BrClF/c1-2-3(4,5)6/h2H,1H2InChIKey=XIUFLELSYMFWEW-UHFFFAOYSA-N92.6Ex 92.62(BP est) -59.10(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(F)(C=C) -59.1PredN
BrC(OCC)Cl9235173.434C3H6BrClO(bromochloromethoxy)ethaneN126BrC(OCC)ClInChI=1S/C3H6BrClO/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=CMVOHAIDQGTDMV-UHFFFAOYSA-N138.4Ex 138.44(BP est) -42.73(MP est) ----(BP exp) ----(MP exp) BrC(OCC)Cl -42.7PredN
BrCOC(C)Cl9236173.434C3H6BrClO1-(bromomethoxy)-1-chloroethaneN126BrCOC(C)ClInChI=1S/C3H6BrClO/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=AWTBXGACOYDCRQ-UHFFFAOYSA-N138.4Ex 138.44(BP est) -42.73(MP est) ----(BP exp) ----(MP exp) BrCOC(C)Cl -42.7PredN
C(Br)OC(CCl)9237173.434C3H6BrClO1-(bromomethoxy)-2-chloroethaneN126C(Br)OC(CCl)InChI=1S/C3H6BrClO/c4-3-6-2-1-5/h1-3H2InChIKey=OWGAHTMLHGWHJP-UHFFFAOYSA-N163.7Ex 163.72(BP est) -27.85(MP est) ----(BP exp) ----(MP exp) C(Br)OC(CCl) -27.9PredN
ClCOC(C)Br9238173.434C3H6BrClO1-bromo-1-(chloromethoxy)ethaneN126ClCOC(C)BrInChI=1S/C3H6BrClO/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=AASOBLMSMGKTCI-UHFFFAOYSA-N150.6Ex 150.60(BP est) -39.18(MP est) ----(BP exp) ----(MP exp) ClCOC(C)Br -39.2PredN
COC(Cl)(C)Br9239173.434C3H6BrClO1-bromo-1-chloro-1-methoxyethaneN126COC(Cl)(C)BrInChI=1S/C3H6BrClO/c1-3(4,5)6-2/h1-2H3InChIKey=QMKVKHNZAQTURC-UHFFFAOYSA-N116.8Ex 116.84(BP est) -40.33(MP est) ----(BP exp) ----(MP exp) COC(Cl)(C)Br -40.3PredN
COCC(Cl)Br9240173.434C3H6BrClO1-bromo-1-chloro-2-methoxyethaneN126COCC(Cl)BrInChI=1S/C3H6BrClO/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=GRZODUSOCAMVBE-UHFFFAOYSA-N138.4Ex 138.44(BP est) -42.73(MP est) ----(BP exp) ----(MP exp) COCC(Cl)Br -42.7PredN
OC(Cl)(CC)Br9241173.434C3H6BrClO1-bromo-1-chloropropan-1-olN126OC(Cl)(CC)BrInChI=1S/C3H6BrClO/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=GKCVODKDNAKHIA-UHFFFAOYSA-N160.0Ex 159.98(BP est) -8.44(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CC)Br -8.4PredN
OC(C)(C(Br)Cl)9242173.434C3H6BrClO1-bromo-1-chloropropan-2-olN126OC(C)(C(Br)Cl)InChI=1S/C3H6BrClO/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=UBAZGYFGXGPNIP-UHFFFAOYSA-N177.1Ex 177.11(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) OC(C)(C(Br)Cl) -19.7PredN
C(Cl)OC(CBr)9243173.434C3H6BrClO1-bromo-2-(chloromethoxy)ethaneN126C(Cl)OC(CBr)InChI=1S/C3H6BrClO/c4-1-2-6-3-5/h1-3H2InChIKey=JYGASIIKRZJQEA-UHFFFAOYSA-N163.7Ex 163.72(BP est) -27.85(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(CBr) -27.9PredN
COC(CCl)Br9244173.434C3H6BrClO1-bromo-2-chloro-1-methoxyethaneN126COC(CCl)BrInChI=1S/C3H6BrClO/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=WEFQAIUSMYYUIL-UHFFFAOYSA-N150.6Ex 150.60(BP est) -39.18(MP est) ----(BP exp) ----(MP exp) COC(CCl)Br -39.2PredN
OC(Br)(C(Cl)C)9245173.434C3H6BrClO1-bromo-2-chloropropan-1-olN126OC(Br)(C(Cl)C)InChI=1S/C3H6BrClO/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=VDEDPCGSGVRIHE-UHFFFAOYSA-N177.1Ex 177.11(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(Cl)C) -19.7PredN
OC(C)(CBr)Cl9246173.434C3H6BrClO1-bromo-2-chloropropan-2-olN126OC(C)(CBr)ClInChI=1S/C3H6BrClO/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=NAZBYWWPCLEVNU-UHFFFAOYSA-N160.0Ex 159.98(BP est) -8.44(MP est) ----(BP exp) ----(MP exp) OC(C)(CBr)Cl -8.4PredN
OC(Br)(CCCl)9247173.434C3H6BrClO1-bromo-3-chloropropan-1-olN126OC(Br)(CCCl)InChI=1S/C3H6BrClO/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=XKRACSSCBRXMFN-UHFFFAOYSA-N200.6Ex 200.55(BP est) -5.31(MP est) ----(BP exp) ----(MP exp) OC(Br)(CCCl) -5.3PredN
OC(CCl)(CBr)9248173.434C3H6BrClO1-bromo-3-chloropropan-2-olN126OC(CCl)(CBr)InChI=1S/C3H6BrClO/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=TVDCSPSRGSLXOV-UHFFFAOYSA-N200.6Ex 200.55(BP est) -5.31(MP est) ----(BP exp) ----(MP exp) OC(CCl)(CBr) -5.3PredN
COC(CBr)Cl9249173.434C3H6BrClO2-bromo-1-chloro-1-methoxyethaneN126COC(CBr)ClInChI=1S/C3H6BrClO/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=MPANUEAVDQOZEW-UHFFFAOYSA-N138.4Ex 138.44(BP est) -42.73(MP est) ----(BP exp) ----(MP exp) COC(CBr)Cl -42.7PredN
OC(Cl)(C(Br)C)9250173.434C3H6BrClO2-bromo-1-chloropropan-1-olN126OC(Cl)(C(Br)C)InChI=1S/C3H6BrClO/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=DJPAMAXEUWPYAG-UHFFFAOYSA-N177.1Ex 177.11(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(Br)C) -19.7PredN
OC(Br)(C)(CCl)9251173.434C3H6BrClO2-bromo-1-chloropropan-2-olN126OC(Br)(C)(CCl)InChI=1S/C3H6BrClO/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=JERLKLJBLMUXRP-UHFFFAOYSA-N183.0Ex 183.04(BP est) -1.71(MP est) ----(BP exp) ----(MP exp) OC(Br)(C)(CCl) -1.7PredN
OC(C(Br)(Cl)C)9252173.434C3H6BrClO2-bromo-2-chloropropan-1-olN126OC(C(Br)(Cl)C)InChI=1S/C3H6BrClO/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=XBFZDBNOBZUNFF-UHFFFAOYSA-N176.8Ex 176.81(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) OC(C(Br)(Cl)C) -3.5PredN
OC(C(Br)CCl)9253173.434C3H6BrClO2-bromo-3-chloropropan-1-olN126OC(C(Br)CCl)InChI=1S/C3H6BrClO/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=WQTCNBWIWNNMFO-UHFFFAOYSA-N206.9Ex 206.93(BP est) -3.44(MP est) ----(BP exp) ----(MP exp) OC(C(Br)CCl) -3.4PredN
OC(Cl)(CCBr)9254173.434C3H6BrClO3-bromo-1-chloropropan-1-olN126OC(Cl)(CCBr)InChI=1S/C3H6BrClO/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=OGHSTMDEOYXLLL-UHFFFAOYSA-N189.6Ex 189.56(BP est) -8.51(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CCBr) -8.5PredN
OC(C(Cl)CBr)9255173.434C3H6BrClO3-bromo-2-chloropropan-1-olN126OC(C(Cl)CBr)InChI=1S/C3H6BrClO/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=GYDGVDCCKGTKNW-UHFFFAOYSA-N196.1Ex 196.10(BP est) -6.60(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)CBr) -6.6PredN
OC(CC(Br)Cl)9256173.434C3H6BrClO3-bromo-3-chloropropan-1-olN126OC(CC(Br)Cl)InChI=1S/C3H6BrClO/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=IWGSFGUTEADNSY-UHFFFAOYSA-N196.1Ex 196.10(BP est) -6.60(MP est) ----(BP exp) ----(MP exp) OC(CC(Br)Cl) -6.6PredN
NNC(Br)(Cl)(C)9257173.438C2H6BrClN2(1-bromo-1-chloroethyl)hydrazineN126NNC(Br)(Cl)(C)InChI=1S/C2H6BrClN2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=KCACACGPSJVKLU-UHFFFAOYSA-N172.1Ex 172.10(BP est) 27.01(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Cl)(C) 27PredN
NNC(Br)(CCl)9258173.438C2H6BrClN2(1-bromo-2-chloroethyl)hydrazineN126NNC(Br)(CCl)InChI=1S/C2H6BrClN2/c3-2(1-4)6-5/h2,6H,1,5H2InChIKey=SGBCNSMEHUHQIP-UHFFFAOYSA-N202.5Ex 202.52(BP est) 27.19(MP est) ----(BP exp) ----(MP exp) NNC(Br)(CCl) 27.2PredN
NNC(Cl)(CBr)9259173.438C2H6BrClN2(2-bromo-1-chloroethyl)hydrazineN126NNC(Cl)(CBr)InChI=1S/C2H6BrClN2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=UFJYBYLOZHTSHA-UHFFFAOYSA-N191.6Ex 191.58(BP est) 23.99(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(CBr) 24PredN
NNC(C(Br)Cl)9260173.438C2H6BrClN2(2-bromo-2-chloroethyl)hydrazineN126NNC(C(Br)Cl)InChI=1S/C2H6BrClN2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=HDVZXQYZVHCEJE-UHFFFAOYSA-N191.6Ex 191.58(BP est) 23.99(MP est) ----(BP exp) ----(MP exp) NNC(C(Br)Cl) 24PredN
CN(C(Br)(Cl))N9261173.438C2H6BrClN21-(bromochloromethyl)-1-methylhydrazineN126CN(C(Br)(Cl))NInChI=1S/C2H6BrClN2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=JOUUBOHZROQFCD-UHFFFAOYSA-N173.0Ex 173.01(BP est) 8.47(MP est) ----(BP exp) ----(MP exp) CN(C(Br)(Cl))N 8.5PredN
CNNC(Br)(Cl)9262173.438C2H6BrClN21-(bromochloromethyl)-2-methylhydrazineN126CNNC(Br)(Cl)InChI=1S/C2H6BrClN2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=FIAQEXNGZNRATC-UHFFFAOYSA-N175.4Ex 175.44(BP est) 3.98(MP est) ----(BP exp) ----(MP exp) CNNC(Br)(Cl) 4PredN
C(Cl)N(C(Br))N9263173.438C2H6BrClN21-(bromomethyl)-1-(chloromethyl)hydrazineN126C(Cl)N(C(Br))NInChI=1S/C2H6BrClN2/c3-1-6(5)2-4/h1-2,5H2InChIKey=LYNKBPIMVSHEEH-UHFFFAOYSA-N196.7Ex 196.65(BP est) 22.88(MP est) ----(BP exp) ----(MP exp) C(Cl)N(C(Br))N 22.9PredN
C(Cl)NNC(Br)9264173.438C2H6BrClN21-(bromomethyl)-2-(chloromethyl)hydrazineN126C(Cl)NNC(Br)InChI=1S/C2H6BrClN2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=PMRJVXNASIWNEW-UHFFFAOYSA-N199.0Ex 198.96(BP est) 18.35(MP est) ----(BP exp) ----(MP exp) C(Cl)NNC(Br) 18.4PredN
BrC1(Cl)CS19265173.452C2H2BrClS2-bromo-2-chlorothiiraneN75BrC1(Cl)CS1InChI=1S/C2H2BrClS/c3-2(4)1-5-2/h1H2InChIKey=NGKOPENEAHELSX-UHFFFAOYSA-N147.8Ex 147.81(BP est) 10.40(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CS1 10.4PredN
ClC1C(Br)S19266173.452C2H2BrClS2-bromo-3-chlorothiiraneN75ClC1C(Br)S1InChI=1S/C2H2BrClS/c3-1-2(4)5-1/h1-2HInChIKey=ODZRHNNLKWIEKW-UHFFFAOYSA-N164.9Ex 164.86(BP est) 1.30(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)S1 1.3PredN
BrCBr9270173.835CH2Br2dibromomethaneN53BrCBrInChI=1S/CH2Br2/c2-1-3/h1H2InChIKey=FJBFPHVGVWTDIP-UHFFFAOYSA-N96.8Ex 107.75(BP est) -51.64(MP est) 97.00(BP exp) -52.50(MP exp) BrCBr -52.5ExptY(Kladi et al. 2004)
ICP9272173.921CH4IP(iodomethyl)phosphaneN73ICPInChI=1S/CH4IP/c2-1-3/h1,3H2InChIKey=LJPVUIXPWTZHNY-UHFFFAOYSA-N125.3Ex 125.34(BP est) -61.59(MP est) ----(BP exp) ----(MP exp) ICP -61.6PredN
C(C(F)I)9274173.957C2H4FI1-fluoro-1-iodoethaneN84C(C(F)I)InChI=1S/C2H4FI/c1-2(3)4/h2H,1H3InChIKey=SMDYQFCZGKZHDG-UHFFFAOYSA-N76.5Ex 76.49(BP est) -93.11(MP est) ----(BP exp) ----(MP exp) C(C(F)I) -93.1PredN
C(I)(CF)9275173.957C2H4FI1-fluoro-2-iodoethaneN84C(I)(CF)InChI=1S/C2H4FI/c3-1-2-4/h1-2H2InChIKey=LVYJIIRJQDEGBR-UHFFFAOYSA-N99.1Ex 91.33(BP est) -81.27(MP est) ----(BP exp) ----(MP exp) C(I)(CF) -81.3PredN
SCI9276173.999CH3ISiodomethanethiolN63SCIInChI=1S/CH3IS/c2-1-3/h3H,1H2InChIKey=DTKSCMBOROCUCG-UHFFFAOYSA-N146.5Ex 146.46(BP est) -52.88(MP est) ----(BP exp) ----(MP exp) SCI -52.9PredN
S1SSSSC19277174.327CH2S5pentathianeN86S1SSSSC1InChI=1S/CH2S5/c1-2-4-6-5-3-1/h1H2InChIKey=CLYCCGMFKNZNJJ-UHFFFAOYSA-N269.3Ex 269.30(BP est) 89.37(MP est) ----(BP exp) ----(MP exp) S1SSSSC1 89.4PredY(DNP 2017)
FC1C(Br)(Cl)N19278174.397C2H2BrClFN2-bromo-2-chloro-3-fluoroaziridineN86FC1C(Br)(Cl)N1InChI=1S/C2H2BrClFN/c3-2(4)1(5)6-2/h1,6HInChIKey=MNBLBIBGGIVMPG-UHFFFAOYSA-N140.3Ex 140.30(BP est) 20.17(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Cl)N1 20.2PredN
ClC1C(Br)(F)N19279174.397C2H2BrClFN2-bromo-3-chloro-2-fluoroaziridineN86ClC1C(Br)(F)N1InChI=1S/C2H2BrClFN/c3-2(5)1(4)6-2/h1,6HInChIKey=RWNMLMVMUSZKOJ-UHFFFAOYSA-N152.4Ex 152.39(BP est) 23.70(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(F)N1 23.7PredN
BrC1C(Cl)(F)N19280174.397C2H2BrClFN3-bromo-2-chloro-2-fluoroaziridineN86BrC1C(Cl)(F)N1InChI=1S/C2H2BrClFN/c3-1-2(4,5)6-1/h1,6HInChIKey=UMRKNKXLSQKNOJ-UHFFFAOYSA-N140.3Ex 140.30(BP est) 20.17(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(F)N1 20.2PredN
NCOC(Br)(Cl)9281174.422C2H5BrClNO(bromochloromethoxy)methanamineN116NCOC(Br)(Cl)InChI=1S/C2H5BrClNO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=SMXXQBPITPTKLT-UHFFFAOYSA-N174.4Ex 174.42(BP est) 3.77(MP est) ----(BP exp) ----(MP exp) NCOC(Br)(Cl) 3.8PredN
NC(Cl)OC(Br)9282174.422C2H5BrClNO(bromomethoxy)chloromethanamineN116NC(Cl)OC(Br)InChI=1S/C2H5BrClNO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=PJESGNJQMYJBTP-UHFFFAOYSA-N174.4Ex 174.42(BP est) 3.77(MP est) ----(BP exp) ----(MP exp) NC(Cl)OC(Br) 3.8PredN
NCC(O)(Br)(Cl)9283174.422C2H5BrClNO2-amino-1-bromo-1-chloroethan-1-olN116NCC(O)(Br)(Cl)InChI=1S/C2H5BrClNO/c3-2(4,6)1-5/h6H,1,5H2InChIKey=DDTYRAMJXTYWQJ-UHFFFAOYSA-N194.5Ex 194.51(BP est) 25.06(MP est) ----(BP exp) ----(MP exp) NCC(O)(Br)(Cl) 25.1PredN
NC(Cl)C(O)(Br)9284174.422C2H5BrClNO2-amino-1-bromo-2-chloroethan-1-olN116NC(Cl)C(O)(Br)InChI=1S/C2H5BrClNO/c3-1(6)2(4)5/h1-2,6H,5H2InChIKey=HHHYSGVCBNPMPQ-UHFFFAOYSA-N210.4Ex 210.44(BP est) 26.08(MP est) ----(BP exp) ----(MP exp) NC(Cl)C(O)(Br) 26.1PredN
NC(Br)C(O)(Cl)9285174.422C2H5BrClNO2-amino-2-bromo-1-chloroethan-1-olN116NC(Br)C(O)(Cl)InChI=1S/C2H5BrClNO/c3-1(5)2(4)6/h1-2,6H,5H2InChIKey=BRNAZIWLZKFMAT-UHFFFAOYSA-N210.4Ex 210.44(BP est) 26.08(MP est) ----(BP exp) ----(MP exp) NC(Br)C(O)(Cl) 26.1PredN
NC(Br)(Cl)C(O)9286174.422C2H5BrClNO2-amino-2-bromo-2-chloroethan-1-olN116NC(Br)(Cl)C(O)InChI=1S/C2H5BrClNO/c3-2(4,5)1-6/h6H,1,5H2InChIKey=NQJYCTONUJRGQV-UHFFFAOYSA-N210.2Ex 210.16(BP est) 31.15(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)C(O) 31.2PredN
NC(Br)OC(Cl)9287174.422C2H5BrClNObromo(chloromethoxy)methanamineN116NC(Br)OC(Cl)InChI=1S/C2H5BrClNO/c3-2(5)6-1-4/h2H,1,5H2InChIKey=ZLNKLBAPFNXKDW-UHFFFAOYSA-N185.8Ex 185.77(BP est) 7.08(MP est) ----(BP exp) ----(MP exp) NC(Br)OC(Cl) 7.1PredN
NC(Cl)(OC)Br9288174.422C2H5BrClNObromochloro(methoxy)methanamineN116NC(Cl)(OC)BrInChI=1S/C2H5BrClNO/c1-6-2(3,4)5/h5H2,1H3InChIKey=ONGQQMUAFQDAEU-UHFFFAOYSA-N154.2Ex 154.23(BP est) 6.58(MP est) ----(BP exp) ----(MP exp) NC(Cl)(OC)Br 6.6PredN
BrC(Cl)(C)NO9289174.422C2H5BrClNON-(1-bromo-1-chloroethyl)hydroxylamineN116BrC(Cl)(C)NOInChI=1S/C2H5BrClNO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=KZVWIQAHFBWTPS-UHFFFAOYSA-N209.3Ex 209.25(BP est) 26.64(MP est) ----(BP exp) ----(MP exp) BrC(Cl)(C)NO 26.6PredN
BrC(Cl)N(O)C9290174.422C2H5BrClNON-(bromochloromethyl)-N-methylhydroxylamineN116BrC(Cl)N(O)CInChI=1S/C2H5BrClNO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=IYDLYLOLNRSVNM-UHFFFAOYSA-N268.8Ex 268.77(BP est) 48.29(MP est) ----(BP exp) ----(MP exp) BrC(Cl)N(O)C 48.3PredN
BrC(Cl)NOC9291174.422C2H5BrClNON-(bromochloromethyl)-O-methylhydroxylamineN116BrC(Cl)NOCInChI=1S/C2H5BrClNO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=WHJDRPGGIBFXSJ-UHFFFAOYSA-N157.7Ex 157.69(BP est) -16.42(MP est) ----(BP exp) ----(MP exp) BrC(Cl)NOC -16.4PredN
BrCNOCCl9292174.422C2H5BrClNON-(bromomethyl)-O-(chloromethyl)hydroxylamineN116BrCNOCClInChI=1S/C2H5BrClNO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=WKIVNSHKBFKUTK-UHFFFAOYSA-N182.1Ex 182.07(BP est) -1.80(MP est) ----(BP exp) ----(MP exp) BrCNOCCl -1.8PredN
NOC(Cl)(C)Br9293174.422C2H5BrClNOO-(1-bromo-1-chloroethyl)hydroxylamineN116NOC(Cl)(C)BrInChI=1S/C2H5BrClNO/c1-2(3,4)6-5/h5H2,1H3InChIKey=ZIZGYCGKQYEBDB-UHFFFAOYSA-N154.2Ex 154.23(BP est) 6.58(MP est) ----(BP exp) ----(MP exp) NOC(Cl)(C)Br 6.6PredN
NOC(CCl)Br9294174.422C2H5BrClNOO-(1-bromo-2-chloroethyl)hydroxylamineN116NOC(CCl)BrInChI=1S/C2H5BrClNO/c3-2(1-4)6-5/h2H,1,5H2InChIKey=XMWGDVAJRKSMJS-UHFFFAOYSA-N185.8Ex 185.77(BP est) 7.08(MP est) ----(BP exp) ----(MP exp) NOC(CCl)Br 7.1PredN
NOC(CBr)Cl9295174.422C2H5BrClNOO-(2-bromo-1-chloroethyl)hydroxylamineN116NOC(CBr)ClInChI=1S/C2H5BrClNO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=PCOVGBPQDMBAES-UHFFFAOYSA-N174.4Ex 174.42(BP est) 3.77(MP est) ----(BP exp) ----(MP exp) NOC(CBr)Cl 3.8PredN
NOCC(Cl)Br9296174.422C2H5BrClNOO-(2-bromo-2-chloroethyl)hydroxylamineN116NOCC(Cl)BrInChI=1S/C2H5BrClNO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=WDHHMSIWHUDDOG-UHFFFAOYSA-N174.4Ex 174.42(BP est) 3.77(MP est) ----(BP exp) ----(MP exp) NOCC(Cl)Br 3.8PredN
CNOC(Cl)Br9297174.422C2H5BrClNOO-(bromochloromethyl)-N-methylhydroxylamineN116CNOC(Cl)BrInChI=1S/C2H5BrClNO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=AVJJNKQAKOZSCY-UHFFFAOYSA-N157.7Ex 157.69(BP est) -16.42(MP est) ----(BP exp) ----(MP exp) CNOC(Cl)Br -16.4PredN
ClCNOCBr9298174.422C2H5BrClNOO-(bromomethyl)-N-(chloromethyl)hydroxylamineN116ClCNOCBrInChI=1S/C2H5BrClNO/c3-1-6-5-2-4/h5H,1-2H2InChIKey=BBGCMBLKMMYYJQ-UHFFFAOYSA-N182.1Ex 182.07(BP est) -1.80(MP est) ----(BP exp) ----(MP exp) ClCNOCBr -1.8PredN
PC(Br)=C(F)F9304174.913C2H2BrF2P(1-bromo-2,2-difluorovinyl)phosphaneN86PC(Br)=C(F)FInChI=1S/C2H2BrF2P/c3-1(6)2(4)5/h6H2InChIKey=AJFYXDIOVHZEFZ-UHFFFAOYSA-N113.6Ex 113.63(BP est) -74.41(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(F)F -74.4PredN
PC(F)=C(Br)F9305174.913C2H2BrF2P(2-bromo-1,2-difluorovinyl)phosphaneN86PC(F)=C(Br)FInChI=1S/C2H2BrF2P/c3-1(4)2(5)6/h6H2InChIKey=BBCKHFJBZZMUGZ-UHFFFAOYSA-N113.6Ex 113.63(BP est) -74.41(MP est) ----(BP exp) ----(MP exp) PC(F)=C(Br)F -74.4PredN
FC1C(F)(Br)P19306174.913C2H2BrF2P2-bromo-2,3-difluorophosphiraneN86FC1C(F)(Br)P1InChI=1S/C2H2BrF2P/c3-2(5)1(4)6-2/h1,6HInChIKey=CSBZJVKQHGWMHG-UHFFFAOYSA-N80.8Ex 80.81(BP est) -55.12(MP est) ----(BP exp) ----(MP exp) FC1C(F)(Br)P1 -55.1PredN
BrC1C(F)(F)P19307174.913C2H2BrF2P3-bromo-2,2-difluorophosphiraneN86BrC1C(F)(F)P1InChI=1S/C2H2BrF2P/c3-1-2(4,5)6-1/h1,6HInChIKey=OKXVKEYWENKHHQ-UHFFFAOYSA-N80.8Ex 80.81(BP est) -55.12(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(F)P1 -55.1PredN
BrC(POC)F9313174.937C2H5BrFOP(bromofluoromethyl)(methoxy)phosphaneN116BrC(POC)FInChI=1S/C2H5BrFOP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=OVFDTBABSZZBRM-UHFFFAOYSA-N106.9Ex 106.93(BP est) -64.73(MP est) ----(BP exp) ----(MP exp) BrC(POC)F -64.7PredN
O=P(C)C(Br)F9314174.937C2H5BrFOP(bromofluoromethyl)(methyl)phosphine oxideN116O=P(C)C(Br)FInChI=1S/C2H5BrFOP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=MIRNNJOLMSGWFV-UHFFFAOYSA-N146.4Ex 146.35(BP est) -46.84(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Br)F -46.8PredN
O=P(CBr)CF9316174.937C2H5BrFOP(bromomethyl)(fluoromethyl)phosphine oxideN116O=P(CBr)CFInChI=1S/C2H5BrFOP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=YODCVISJJRCYIF-UHFFFAOYSA-N159.6Ex 159.58(BP est) -35.48(MP est) ----(BP exp) ----(MP exp) O=P(CBr)CF -35.5PredN
NC(F)(I)9317174.945CH3FINfluoroiodomethanamineN74NC(F)(I)InChI=1S/CH3FIN/c2-1(3)4/h1H,4H2InChIKey=LUTDIKNZWPPCNZ-UHFFFAOYSA-N116.4Ex 116.37(BP est) -45.47(MP est) ----(BP exp) ----(MP exp) NC(F)(I) -45.5PredN
FC1C(Br)(F)S19318174.991C2HBrF2S2-bromo-2,3-difluorothiiraneN76FC1C(Br)(F)S1InChI=1S/C2HBrF2S/c3-2(5)1(4)6-2/h1HInChIKey=UPLHJPHXEWGAHJ-UHFFFAOYSA-N109.3Ex 109.25(BP est) -17.35(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(F)S1 -17.4PredN
BrC1C(F)(F)S19319174.991C2HBrF2S3-bromo-2,2-difluorothiiraneN76BrC1C(F)(F)S1InChI=1S/C2HBrF2S/c3-1-2(4,5)6-1/h1HInChIKey=QWMCYQOFJFWYFH-UHFFFAOYSA-N109.3Ex 109.25(BP est) -17.35(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(F)S1 -17.4PredN
F[Si](C)(CBr)F9320175.048C2H5BrF2Si(bromomethyl)difluoro(methyl)silaneN116F[Si](C)(CBr)FInChI=1S/C2H5BrF2Si/c1-6(4,5)2-3/h2H2,1H3InChIKey=RIJICGILZMTWKI-UHFFFAOYSA-N56.7Ex 56.70(BP est) -86.28(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CBr)F -86.3PredN
O=PC(Br)Cl9321175.346CHBrClOP(bromochloromethyl)(oxo)phosphaneN65O=PC(Br)ClInChI=1S/CHBrClOP/c2-1(3)5-4/h1HInChIKey=FHHVSOGHKSZQSV-UHFFFAOYSA-N170.8Ex 170.82(BP est) -22.48(MP est) ----(BP exp) ----(MP exp) O=PC(Br)Cl -22.5PredN
C(=O)C(Br)(Cl)(F)9322175.381C2HBrClFO2-bromo-2-chloro-2-fluoroacetaldehydeN76C(=O)C(Br)(Cl)(F)InChI=1S/C2HBrClFO/c3-2(4,5)1-6/h1HInChIKey=FQVFHKZLKBEFRO-UHFFFAOYSA-N130.6Ex 130.57(BP est) -31.77(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(Cl)(F) -31.8PredN
FC1C(Br)(Cl)O19323175.381C2HBrClFO2-bromo-2-chloro-3-fluorooxiraneN76FC1C(Br)(Cl)O1InChI=1S/C2HBrClFO/c3-2(4)1(5)6-2/h1HInChIKey=YAGMIEMEMJVELY-UHFFFAOYSA-N109.3Ex 109.33(BP est) -28.10(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Cl)O1 -28.1PredN
ClC1C(Br)(F)O19324175.381C2HBrClFO2-bromo-3-chloro-2-fluorooxiraneN76ClC1C(Br)(F)O1InChI=1S/C2HBrClFO/c3-2(5)1(4)6-2/h1HInChIKey=WBMYEFLJOGCGSN-UHFFFAOYSA-N122.1Ex 122.08(BP est) -24.38(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(F)O1 -24.4PredN
BrC1C(Cl)(F)O19325175.381C2HBrClFO3-bromo-2-chloro-2-fluorooxiraneN76BrC1C(Cl)(F)O1InChI=1S/C2HBrClFO/c3-1-2(4,5)6-1/h1HInChIKey=GSMGDARCZNUGEQ-UHFFFAOYSA-N109.3Ex 109.33(BP est) -28.10(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(F)O1 -28.1PredN
BrC(C)(P)Cl9326175.39C2H5BrClP(1-bromo-1-chloroethyl)phosphaneN105BrC(C)(P)ClInChI=1S/C2H5BrClP/c1-2(3,4)5/h5H2,1H3InChIKey=HRLBGQJSLZPRRT-UHFFFAOYSA-N128.3Ex 128.29(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) BrC(C)(P)Cl -38.1PredN
PC(Br)CCl9327175.39C2H5BrClP(1-bromo-2-chloroethyl)phosphaneN105PC(Br)CClInChI=1S/C2H5BrClP/c3-2(5)1-4/h2H,1,5H2InChIKey=ALDWNZLLNRZOKC-UHFFFAOYSA-N161.4Ex 161.38(BP est) -37.10(MP est) ----(BP exp) ----(MP exp) PC(Br)CCl -37.1PredN
ClC(P)CBr9328175.39C2H5BrClP(2-bromo-1-chloroethyl)phosphaneN105ClC(P)CBrInChI=1S/C2H5BrClP/c3-1-2(4)5/h2H,1,5H2InChIKey=YVLAPHXQSCWYBI-UHFFFAOYSA-N149.5Ex 149.46(BP est) -40.58(MP est) ----(BP exp) ----(MP exp) ClC(P)CBr -40.6PredN
BrC(Cl)CP9329175.39C2H5BrClP(2-bromo-2-chloroethyl)phosphaneN105BrC(Cl)CPInChI=1S/C2H5BrClP/c3-2(4)1-5/h2H,1,5H2InChIKey=NZRFEYUUKYSZOP-UHFFFAOYSA-N149.5Ex 149.46(BP est) -40.58(MP est) ----(BP exp) ----(MP exp) BrC(Cl)CP -40.6PredN
CPC(Cl)Br9330175.39C2H5BrClP(bromochloromethyl)(methyl)phosphaneN105CPC(Cl)BrInChI=1S/C2H5BrClP/c1-5-2(3)4/h2,5H,1H3InChIKey=ZAZGSPNPSBMPAR-UHFFFAOYSA-N130.2Ex 130.15(BP est) -54.40(MP est) ----(BP exp) ----(MP exp) CPC(Cl)Br -54.4PredN
ClCPCBr9331175.39C2H5BrClP(bromomethyl)(chloromethyl)phosphaneN105ClCPCBrInChI=1S/C2H5BrClP/c3-1-5-2-4/h5H,1-2H2InChIKey=BQVAIVIUZOAANA-UHFFFAOYSA-N155.8Ex 155.82(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) ClCPCBr -39.4PredN
OCOC(Br)(Cl)9332175.406C2H4BrClO2(bromochloromethoxy)methanolN106OCOC(Br)(Cl)InChI=1S/C2H4BrClO2/c3-2(4)6-1-5/h2,5H,1H2InChIKey=DGSNVXUNFYCSJF-UHFFFAOYSA-N196.9Ex 196.88(BP est) -0.90(MP est) ----(BP exp) ----(MP exp) OCOC(Br)(Cl) -0.9PredN
OC(Cl)OC(Br)9333175.406C2H4BrClO2(bromomethoxy)chloromethanolN106OC(Cl)OC(Br)InChI=1S/C2H4BrClO2/c3-1-6-2(4)5/h2,5H,1H2InChIKey=ZOPBROUGFXWTQD-UHFFFAOYSA-N190.4Ex 190.35(BP est) -2.80(MP est) ----(BP exp) ----(MP exp) OC(Cl)OC(Br) -2.8PredN
OC(Br)OC(Cl)9334175.406C2H4BrClO2bromo(chloromethoxy)methanolN106OC(Br)OC(Cl)InChI=1S/C2H4BrClO2/c3-2(5)6-1-4/h2,5H,1H2InChIKey=AGXLFAYSJNUZDS-UHFFFAOYSA-N201.3Ex 201.32(BP est) 0.40(MP est) ----(BP exp) ----(MP exp) OC(Br)OC(Cl) 0.4PredN
OC(Br)(Cl)OC9335175.406C2H4BrClO2bromochloro(methoxy)methanolN106OC(Br)(Cl)OCInChI=1S/C2H4BrClO2/c1-6-2(3,4)5/h5H,1H3InChIKey=IBDRJKFQZJFPAH-UHFFFAOYSA-N160.8Ex 160.82(BP est) -2.71(MP est) ----(BP exp) ----(MP exp) OC(Br)(Cl)OC -2.7PredN
C(CC(Br)(Cl)F)9336175.425C3H5BrClF1-bromo-1-chloro-1-fluoropropaneN116C(CC(Br)(Cl)F)InChI=1S/C3H5BrClF/c1-2-3(4,5)6/h2H2,1H3InChIKey=RHSRRVBTPDQSBE-UHFFFAOYSA-N94.4Ex 94.44(BP est) -57.69(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(Cl)F) -57.7PredN
C(C(F)C(Br)Cl)9337175.425C3H5BrClF1-bromo-1-chloro-2-fluoropropaneN116C(C(F)C(Br)Cl)InChI=1S/C3H5BrClF/c1-2(6)3(4)5/h2-3H,1H3InChIKey=YQMUFYJDRKBLFF-UHFFFAOYSA-N102.6Ex 102.57(BP est) -71.53(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Br)Cl) -71.5PredN
C(F)(CC(Br)Cl)9338175.425C3H5BrClF1-bromo-1-chloro-3-fluoropropaneN116C(F)(CC(Br)Cl)InChI=1S/C3H5BrClF/c4-3(5)1-2-6/h3H,1-2H2InChIKey=UHIKYGICVDWIKT-UHFFFAOYSA-N116.8Ex 116.83(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Br)Cl) -59.9PredN
C(C(Cl)C(Br)F)9339175.425C3H5BrClF1-bromo-2-chloro-1-fluoropropaneN116C(C(Cl)C(Br)F)InChI=1S/C3H5BrClF/c1-2(5)3(4)6/h2-3H,1H3InChIKey=RVPRODGONDKENO-UHFFFAOYSA-N102.6Ex 102.57(BP est) -71.53(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(Br)F) -71.5PredN
C(C(Cl)(F)CBr)9340175.425C3H5BrClF1-bromo-2-chloro-2-fluoropropaneN116C(C(Cl)(F)CBr)InChI=1S/C3H5BrClF/c1-3(5,6)2-4/h2H2,1H3InChIKey=REKDFINPOZVXJS-UHFFFAOYSA-N111.0Ex 94.44(BP est) -57.69(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(F)CBr) -57.7PredN
C(Br)(C(Cl)CF)9341175.425C3H5BrClF1-bromo-2-chloro-3-fluoropropaneN116C(Br)(C(Cl)CF)InChI=1S/C3H5BrClF/c4-1-3(5)2-6/h3H,1-2H2InChIKey=OGLRUGKLODECJI-UHFFFAOYSA-N116.8Ex 116.83(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)CF) -59.9PredN
C(Cl)(CC(Br)F)9342175.425C3H5BrClF1-bromo-3-chloro-1-fluoropropaneN116C(Cl)(CC(Br)F)InChI=1S/C3H5BrClF/c4-3(6)1-2-5/h3H,1-2H2InChIKey=BZRGQJBGQVJSIG-UHFFFAOYSA-N129.5Ex 129.46(BP est) -56.17(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(Br)F) -56.2PredN
C(Cl)(C(F)CBr)9343175.425C3H5BrClF1-bromo-3-chloro-2-fluoropropaneN116C(Cl)(C(F)CBr)InChI=1S/C3H5BrClF/c4-1-3(6)2-5/h3H,1-2H2InChIKey=FUJNUMBHVIGAIS-UHFFFAOYSA-N147.0Ex 129.46(BP est) -56.17(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)CBr) -56.2PredN
C(C(Br)C(Cl)F)9344175.425C3H5BrClF2-bromo-1-chloro-1-fluoropropaneN116C(C(Br)C(Cl)F)InChI=1S/C3H5BrClF/c1-2(4)3(5)6/h2-3H,1H3InChIKey=UZYQDMXNTMBDEE-UHFFFAOYSA-N102.6Ex 102.57(BP est) -71.53(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(Cl)F) -71.5PredN
C(C(Br)(F)CCl)9345175.425C3H5BrClF2-bromo-1-chloro-2-fluoropropaneN116C(C(Br)(F)CCl)InChI=1S/C3H5BrClF/c1-3(4,6)2-5/h2H2,1H3InChIKey=XKJKEKKXZWXAJR-UHFFFAOYSA-N120.3Ex 120.32(BP est) -50.13(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)CCl) -50.1PredN
C(Cl)(C(Br)CF)9346175.425C3H5BrClF2-bromo-1-chloro-3-fluoropropaneN116C(Cl)(C(Br)CF)InChI=1S/C3H5BrClF/c4-3(1-5)2-6/h3H,1-2H2InChIKey=ZRNPUQICDNWDFJ-UHFFFAOYSA-N137.0Ex 129.46(BP est) -56.17(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)CF) -56.2PredN
C(C(Br)(Cl)CF)9347175.425C3H5BrClF2-bromo-2-chloro-1-fluoropropaneN116C(C(Br)(Cl)CF)InChI=1S/C3H5BrClF/c1-3(4,5)2-6/h2H2,1H3InChIKey=YTNJBFQIQIRIJJ-UHFFFAOYSA-N94.4Ex 94.44(BP est) -57.69(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Cl)CF) -57.7PredN
C(Br)(CC(Cl)F)9348175.425C3H5BrClF3-bromo-1-chloro-1-fluoropropaneN116C(Br)(CC(Cl)F)InChI=1S/C3H5BrClF/c4-2-1-3(5)6/h3H,1-2H2InChIKey=MMBNXNIYVOIHTL-UHFFFAOYSA-N116.8Ex 116.83(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(Cl)F) -59.9PredN
CSC(Cl)Br9350175.468C2H4BrClS(bromochloromethyl)(methyl)sulfaneN95CSC(Cl)BrInChI=1S/C2H4BrClS/c1-5-2(3)4/h2H,1H3InChIKey=OUFVBSXYNITJRF-UHFFFAOYSA-N156.8Ex 156.77(BP est) -36.93(MP est) ----(BP exp) ----(MP exp) CSC(Cl)Br -36.9PredN
C(Cl)SC(Br)9351175.468C2H4BrClS(bromomethyl)(chloromethyl)sulfaneN95C(Cl)SC(Br)InChI=1S/C2H4BrClS/c3-1-5-2-4/h1-2H2InChIKey=APYLKJRGXFEDIO-UHFFFAOYSA-N181.2Ex 181.20(BP est) -22.30(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Br) -22.3PredN
SC(Cl)(C)Br9352175.468C2H4BrClS1-bromo-1-chloroethane-1-thiolN95SC(Cl)(C)BrInChI=1S/C2H4BrClS/c1-2(3,4)5/h5H,1H3InChIKey=CGIQPUXRAUAEKQ-UHFFFAOYSA-N149.3Ex 149.30(BP est) -29.37(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C)Br -29.4PredN
SC(Br)(CCl)9353175.468C2H4BrClS1-bromo-2-chloroethane-1-thiolN95SC(Br)(CCl)InChI=1S/C2H4BrClS/c3-2(5)1-4/h2,5H,1H2InChIKey=KVBHUOHMQQTBHH-UHFFFAOYSA-N181.1Ex 181.14(BP est) -28.79(MP est) ----(BP exp) ----(MP exp) SC(Br)(CCl) -28.8PredN
SC(Cl)(CBr)9354175.468C2H4BrClS2-bromo-1-chloroethane-1-thiolN95SC(Cl)(CBr)InChI=1S/C2H4BrClS/c3-1-2(4)5/h2,5H,1H2InChIKey=AELZOYBWGUVCQH-UHFFFAOYSA-N169.7Ex 169.68(BP est) -32.13(MP est) ----(BP exp) ----(MP exp) SC(Cl)(CBr) -32.1PredN
SC(C(Br)Cl)9355175.468C2H4BrClS2-bromo-2-chloroethane-1-thiolN95SC(C(Br)Cl)InChI=1S/C2H4BrClS/c3-2(4)1-5/h2,5H,1H2InChIKey=GSRIUTUSQYBPOH-UHFFFAOYSA-N169.7Ex 169.68(BP est) -32.13(MP est) ----(BP exp) ----(MP exp) SC(C(Br)Cl) -32.1PredN
ClC=C(Cl)Br9356175.834C2HBrCl21-bromo-1,2-dichloroetheneN65ClC=C(Cl)BrInChI=1S/C2HBrCl2/c3-2(5)1-4/h1HInChIKey=RXIALFZUTHFURS-UHFFFAOYSA-N126.3Ex 126.27(BP est) -50.10(MP est) ----(BP exp) ----(MP exp) ClC=C(Cl)Br -50.1PredN
BrC=C(Cl)Cl9357175.834C2HBrCl22-bromo-1,1-dichloroetheneN65BrC=C(Cl)ClInChI=1S/C2HBrCl2/c3-1-2(4)5/h1HInChIKey=OEKZZIRTAIOPIP-UHFFFAOYSA-N107.5Ex 126.27(BP est) -50.10(MP est) 107.50(BP exp) -88.50(MP exp) BrC=C(Cl)Cl -88.5ExptY(Nightingale et al. 1995)
OC(F)(I)9358175.929CH2FIOfluoroiodomethanolN64OC(F)(I)InChI=1S/CH2FIO/c2-1(3)4/h1,4HInChIKey=OXWPHTSXWSRMFF-UHFFFAOYSA-N134.1Ex 134.12(BP est) -51.50(MP est) ----(BP exp) ----(MP exp) OC(F)(I) -51.5PredN
C#CC#CI9359175.956C4HI1-iodobuta-1,3-diyneN65C#CC#CIInChI=1S/C4HI/c1-2-3-4-5/h1HInChIKey=IUUUVWLBOCMKOY-UHFFFAOYSA-N159.8Ex 159.82(BP est) 26.23(MP est) ----(BP exp) ----(MP exp) C#CC#CI 26.2PredN
ClCI9360176.381CH2ClIchloroiodomethaneN53ClCIInChI=1S/CH2ClI/c2-1-3/h1H2InChIKey=PJGJQVRXEUVAFT-UHFFFAOYSA-N109.0Ex 128.69(BP est) -61.34(MP est) 109.00(BP exp) ----(MP exp) ClCI -61.3PredY(Kladi et al. 2004)
CNC(Br)(Cl)(F)9361176.413C2H4BrClFN1-bromo-1-chloro-1-fluoro-N-methylmethanamineN106CNC(Br)(Cl)(F)InChI=1S/C2H4BrClFN/c1-6-2(3,4)5/h6H,1H3InChIKey=AHNGURYGROMLJN-UHFFFAOYSA-N115.2Ex 115.17(BP est) -30.94(MP est) ----(BP exp) ----(MP exp) CNC(Br)(Cl)(F) -30.9PredN
NC(Br)(Cl)(CF)9362176.413C2H4BrClFN1-bromo-1-chloro-2-fluoroethan-1-amineN106NC(Br)(Cl)(CF)InChI=1S/C2H4BrClFN/c3-2(4,6)1-5/h1,6H2InChIKey=JGZVOQUWYHWHKK-UHFFFAOYSA-N133.2Ex 133.23(BP est) -10.37(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)(CF) -10.4PredN
C(F)NC(Br)(Cl)9363176.413C2H4BrClFN1-bromo-1-chloro-N-(fluoromethyl)methanamineN106C(F)NC(Br)(Cl)InChI=1S/C2H4BrClFN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=LRSPTDNRTPAUNO-UHFFFAOYSA-N136.8Ex 136.82(BP est) -33.33(MP est) ----(BP exp) ----(MP exp) C(F)NC(Br)(Cl) -33.3PredN
NC(Br)(F)(CCl)9364176.413C2H4BrClFN1-bromo-2-chloro-1-fluoroethan-1-amineN106NC(Br)(F)(CCl)InChI=1S/C2H4BrClFN/c3-2(5,6)1-4/h1,6H2InChIKey=ANEPLLSDSGALRQ-UHFFFAOYSA-N157.5Ex 157.48(BP est) -3.29(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(CCl) -3.3PredN
NC(Br)(C(Cl)F)9365176.413C2H4BrClFN1-bromo-2-chloro-2-fluoroethan-1-amineN106NC(Br)(C(Cl)F)InChI=1S/C2H4BrClFN/c3-1(6)2(4)5/h1-2H,6H2InChIKey=VUHVRFOJPAERKR-UHFFFAOYSA-N140.9Ex 140.86(BP est) -24.35(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Cl)F) -24.4PredN
C(Cl)NC(Br)(F)9366176.413C2H4BrClFN1-bromo-N-(chloromethyl)-1-fluoromethanamineN106C(Cl)NC(Br)(F)InChI=1S/C2H4BrClFN/c3-2(5)6-1-4/h2,6H,1H2InChIKey=FSKOSUOKIFWQHA-UHFFFAOYSA-N149.0Ex 149.02(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Br)(F) -29.8PredN
NC(Cl)(F)(CBr)9367176.413C2H4BrClFN2-bromo-1-chloro-1-fluoroethan-1-amineN106NC(Cl)(F)(CBr)InChI=1S/C2H4BrClFN/c3-1-2(4,5)6/h1,6H2InChIKey=VTBIJMZKZKOADE-UHFFFAOYSA-N133.2Ex 133.23(BP est) -10.37(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(CBr) -10.4PredN
NC(Cl)(C(Br)F)9368176.413C2H4BrClFN2-bromo-1-chloro-2-fluoroethan-1-amineN106NC(Cl)(C(Br)F)InChI=1S/C2H4BrClFN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=BHGZRIGJCBQAHC-UHFFFAOYSA-N140.9Ex 140.86(BP est) -24.35(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Br)F) -24.4PredN
NC(F)(C(Br)Cl)9369176.413C2H4BrClFN2-bromo-2-chloro-1-fluoroethan-1-amineN106NC(F)(C(Br)Cl)InChI=1S/C2H4BrClFN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=QPRUUQFDIZVYQT-UHFFFAOYSA-N140.9Ex 140.86(BP est) -24.35(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Br)Cl) -24.4PredN
NC(C(Br)(Cl)F)9370176.413C2H4BrClFN2-bromo-2-chloro-2-fluoroethan-1-amineN106NC(C(Br)(Cl)F)InChI=1S/C2H4BrClFN/c3-2(4,5)1-6/h1,6H2InChIKey=MUSZGPYUDZOIJB-UHFFFAOYSA-N133.2Ex 133.23(BP est) -10.37(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(Cl)F) -10.4PredN
C(Br)NC(Cl)(F)9371176.413C2H4BrClFNN-(bromomethyl)-1-chloro-1-fluoromethanamineN106C(Br)NC(Cl)(F)InChI=1S/C2H4BrClFN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=GLRKBEDFVNEMHW-UHFFFAOYSA-N136.8Ex 136.82(BP est) -33.33(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Cl)(F) -33.3PredN
O=PC(F)(Br)F9378176.885CBrF2OP(bromodifluoromethyl)(oxo)phosphaneN66O=PC(F)(Br)FInChI=1S/CBrF2OP/c2-1(3,4)6-5InChIKey=KKOYQPDIHOOROU-UHFFFAOYSA-N118.9Ex 118.90(BP est) -43.30(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Br)F -43.3PredN
O=P(C(Br)F)O9379176.909CH3BrFO2P(bromofluoromethyl)phosphinic acidN96O=P(C(Br)F)OInChI=1S/CH3BrFO2P/c2-1(3)6(4)5/h1,6H,(H,4,5)InChIKey=KQFAGJHIERBERD-UHFFFAOYSA-N218.2Ex 218.19(BP est) -1.09(MP est) ----(BP exp) ----(MP exp) O=P(C(Br)F)O -1.1PredN
PC(CF)(Br)F9381176.929C2H4BrF2P(1-bromo-1,2-difluoroethyl)phosphaneN106PC(CF)(Br)FInChI=1S/C2H4BrF2P/c3-2(5,6)1-4/h1,6H2InChIKey=NYQXTWSQJNYISI-UHFFFAOYSA-N95.5Ex 95.47(BP est) -62.00(MP est) ----(BP exp) ----(MP exp) PC(CF)(Br)F -62PredN
PC(Br)C(F)F9382176.929C2H4BrF2P(1-bromo-2,2-difluoroethyl)phosphaneN106PC(Br)C(F)FInChI=1S/C2H4BrF2P/c3-1(6)2(4)5/h1-2H,6H2InChIKey=FLXVJAWQEQTPEZ-UHFFFAOYSA-N90.5Ex 90.45(BP est) -79.68(MP est) ----(BP exp) ----(MP exp) PC(Br)C(F)F -79.7PredN
PC(CBr)(F)F9383176.929C2H4BrF2P(2-bromo-1,1-difluoroethyl)phosphaneN106PC(CBr)(F)FInChI=1S/C2H4BrF2P/c3-1-2(4,5)6/h1,6H2InChIKey=VBFNXHQQKTUMMH-UHFFFAOYSA-N95.5Ex 95.47(BP est) -62.00(MP est) ----(BP exp) ----(MP exp) PC(CBr)(F)F -62PredN
PC(F)C(Br)F9384176.929C2H4BrF2P(2-bromo-1,2-difluoroethyl)phosphaneN106PC(F)C(Br)FInChI=1S/C2H4BrF2P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=KINOMKAARHYSPB-UHFFFAOYSA-N90.5Ex 90.45(BP est) -79.68(MP est) ----(BP exp) ----(MP exp) PC(F)C(Br)F -79.7PredN
PCC(F)(Br)F9385176.929C2H4BrF2P(2-bromo-2,2-difluoroethyl)phosphaneN106PCC(F)(Br)FInChI=1S/C2H4BrF2P/c3-2(4,5)1-6/h1,6H2InChIKey=TXPXIRRKCLOEKA-UHFFFAOYSA-N95.5Ex 95.47(BP est) -62.00(MP est) ----(BP exp) ----(MP exp) PCC(F)(Br)F -62PredN
CPC(F)(Br)F9386176.929C2H4BrF2P(bromodifluoromethyl)(methyl)phosphaneN106CPC(F)(Br)FInChI=1S/C2H4BrF2P/c1-6-2(3,4)5/h6H,1H3InChIKey=LTHJSZGPNVJEGN-UHFFFAOYSA-N74.3Ex 74.34(BP est) -76.36(MP est) ----(BP exp) ----(MP exp) CPC(F)(Br)F -76.4PredN
FCPC(Br)F9387176.929C2H4BrF2P(bromofluoromethyl)(fluoromethyl)phosphaneN106FCPC(Br)FInChI=1S/C2H4BrF2P/c3-2(5)6-1-4/h2,6H,1H2InChIKey=KWYLFSLXYNLREM-UHFFFAOYSA-N84.2Ex 84.17(BP est) -82.20(MP est) ----(BP exp) ----(MP exp) FCPC(Br)F -82.2PredN
BrCPC(F)F9388176.929C2H4BrF2P(bromomethyl)(difluoromethyl)phosphaneN106BrCPC(F)FInChI=1S/C2H4BrF2P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=DUVXDRFOXWOVFW-UHFFFAOYSA-N84.2Ex 84.17(BP est) -82.20(MP est) ----(BP exp) ----(MP exp) BrCPC(F)F -82.2PredN
CSC(Br)(F)(F)9390177.007C2H3BrF2S(bromodifluoromethyl)(methyl)sulfaneN96CSC(Br)(F)(F)InChI=1S/C2H3BrF2S/c1-6-2(3,4)5/h1H3InChIKey=SAMDMJRJWNQDBB-UHFFFAOYSA-N103.5Ex 103.48(BP est) -58.15(MP est) ----(BP exp) ----(MP exp) CSC(Br)(F)(F) -58.2PredN
C(F)SC(Br)(F)9391177.007C2H3BrF2S(bromofluoromethyl)(fluoromethyl)sulfaneN96C(F)SC(Br)(F)InChI=1S/C2H3BrF2S/c3-2(5)6-1-4/h2H,1H2InChIKey=DUQSJBMLJIDJFG-UHFFFAOYSA-N112.9Ex 112.88(BP est) -64.12(MP est) ----(BP exp) ----(MP exp) C(F)SC(Br)(F) -64.1PredN
C(Br)SC(F)(F)9392177.007C2H3BrF2S(bromomethyl)(difluoromethyl)sulfaneN96C(Br)SC(F)(F)InChI=1S/C2H3BrF2S/c3-1-6-2(4)5/h2H,1H2InChIKey=PLUAXDRATABYPY-UHFFFAOYSA-N112.9Ex 112.88(BP est) -64.12(MP est) ----(BP exp) ----(MP exp) C(Br)SC(F)(F) -64.1PredN
SC(Br)(F)(CF)9393177.007C2H3BrF2S1-bromo-1,2-difluoroethane-1-thiolN96SC(Br)(F)(CF)InChI=1S/C2H3BrF2S/c3-2(5,6)1-4/h6H,1H2InChIKey=LLRKEKYUVFISJP-UHFFFAOYSA-N117.7Ex 117.65(BP est) -52.98(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(CF) -53PredN
SC(Br)(C(F)F)9394177.007C2H3BrF2S1-bromo-2,2-difluoroethane-1-thiolN96SC(Br)(C(F)F)InChI=1S/C2H3BrF2S/c3-1(6)2(4)5/h1-2,6HInChIKey=IWLFLWXJGRHQDU-UHFFFAOYSA-N112.8Ex 112.81(BP est) -70.61(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(F)F) -70.6PredN
SC(F)(F)(CBr)9395177.007C2H3BrF2S2-bromo-1,1-difluoroethane-1-thiolN96SC(F)(F)(CBr)InChI=1S/C2H3BrF2S/c3-1-2(4,5)6/h6H,1H2InChIKey=YDLVNAPJYJGQJK-UHFFFAOYSA-N117.7Ex 117.65(BP est) -52.98(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(CBr) -53PredN
SC(F)(C(Br)F)9396177.007C2H3BrF2S2-bromo-1,2-difluoroethane-1-thiolN96SC(F)(C(Br)F)InChI=1S/C2H3BrF2S/c3-1(4)2(5)6/h1-2,6HInChIKey=VHJYSCHZTMSITH-UHFFFAOYSA-N112.8Ex 112.81(BP est) -70.61(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Br)F) -70.6PredN
SC(C(Br)(F)F)9397177.007C2H3BrF2S2-bromo-2,2-difluoroethane-1-thiolN96SC(C(Br)(F)F)InChI=1S/C2H3BrF2S/c3-2(4,5)1-6/h6H,1H2InChIKey=GAPBTAWHGQDULE-UHFFFAOYSA-N117.7Ex 117.65(BP est) -52.98(MP est) ----(BP exp) ----(MP exp) SC(C(Br)(F)F) -53PredN
F[Si](CBr)(O)F9398177.02CH3BrF2OSi(bromomethyl)difluorosilanolN96F[Si](CBr)(O)FInChI=1S/CH3BrF2OSi/c2-1-6(3,4)5/h5H,1H2InChIKey=IWZGAQWQEJKAEI-UHFFFAOYSA-N140.3Ex 140.33(BP est) -37.09(MP est) ----(BP exp) ----(MP exp) F[Si](CBr)(O)F -37.1PredN
C(Br)(Cl)=C(F)(F)9400177.373C2BrClF21-bromo-1-chloro-2,2-difluoroetheneN66C(Br)(Cl)=C(F)(F)InChI=1S/C2BrClF2/c3-1(4)2(5)6InChIKey=NBYWEYFBDHRDOS-UHFFFAOYSA-N88.9Ex 88.85(BP est) -82.37(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)=C(F)(F) -82.4PredN
C(Cl)(F)=C(Br)(F)9401177.373C2BrClF21-bromo-2-chloro-1,2-difluoroetheneN66C(Cl)(F)=C(Br)(F)InChI=1S/C2BrClF2/c3-1(5)2(4)6InChIKey=YUCIHXMZQIKZTE-UHFFFAOYSA-N88.9Ex 88.85(BP est) -82.37(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(Br)(F) -82.4PredN
C(Br)OC(Cl)(F)9402177.397C2H3BrClFO(bromomethoxy)chlorofluoromethaneN96C(Br)OC(Cl)(F)InChI=1S/C2H3BrClFO/c3-1-6-2(4)5/h2H,1H2InChIKey=NOXZRHIVAVSJFL-UHFFFAOYSA-N117.7Ex 117.74(BP est) -54.12(MP est) ----(BP exp) ----(MP exp) C(Br)OC(Cl)(F) -54.1PredN
OC(Br)(Cl)(CF)9403177.397C2H3BrClFO1-bromo-1-chloro-2-fluoroethan-1-olN96OC(Br)(Cl)(CF)InChI=1S/C2H3BrClFO/c3-2(4,6)1-5/h6H,1H2InChIKey=CEODYIDOJOBVBW-UHFFFAOYSA-N140.1Ex 140.08(BP est) -19.59(MP est) ----(BP exp) ----(MP exp) OC(Br)(Cl)(CF) -19.6PredN
OC(Br)(F)(CCl)9404177.397C2H3BrClFO1-bromo-2-chloro-1-fluoroethan-1-olN96OC(Br)(F)(CCl)InChI=1S/C2H3BrClFO/c3-2(5,6)1-4/h6H,1H2InChIKey=AOYCGVQHWKQVMI-UHFFFAOYSA-N164.0Ex 164.03(BP est) -12.60(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(CCl) -12.6PredN
OC(Br)(C(Cl)F)9405177.397C2H3BrClFO1-bromo-2-chloro-2-fluoroethan-1-olN96OC(Br)(C(Cl)F)InChI=1S/C2H3BrClFO/c3-1(6)2(4)5/h1-2,6HInChIKey=YWLWHCXTNBNHMM-UHFFFAOYSA-N157.9Ex 157.87(BP est) -30.61(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(Cl)F) -30.6PredN
OC(Cl)(F)(CBr)9406177.397C2H3BrClFO2-bromo-1-chloro-1-fluoroethan-1-olN96OC(Cl)(F)(CBr)InChI=1S/C2H3BrClFO/c3-1-2(4,5)6/h6H,1H2InChIKey=XGEZIHSIAXWALH-UHFFFAOYSA-N140.1Ex 140.08(BP est) -19.59(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(CBr) -19.6PredN
OC(Cl)(C(Br)F)9407177.397C2H3BrClFO2-bromo-1-chloro-2-fluoroethan-1-olN96OC(Cl)(C(Br)F)InChI=1S/C2H3BrClFO/c3-1(5)2(4)6/h1-2,6HInChIKey=ADGXSAUUNOKMIA-UHFFFAOYSA-N157.9Ex 157.87(BP est) -30.61(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(Br)F) -30.6PredN
OC(F)(C(Br)Cl)9408177.397C2H3BrClFO2-bromo-2-chloro-1-fluoroethan-1-olN96OC(F)(C(Br)Cl)InChI=1S/C2H3BrClFO/c3-1(4)2(5)6/h1-2,6HInChIKey=WCCGFNNADVPWIS-UHFFFAOYSA-N157.9Ex 157.87(BP est) -30.61(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Br)Cl) -30.6PredN
OC(C(Br)(Cl)F)9409177.397C2H3BrClFO2-bromo-2-chloro-2-fluoroethan-1-olN96OC(C(Br)(Cl)F)InChI=1S/C2H3BrClFO/c3-2(4,5)1-6/h6H,1H2InChIKey=MBRLGXTWGGWUDB-UHFFFAOYSA-N157.6Ex 157.55(BP est) -14.49(MP est) ----(BP exp) ----(MP exp) OC(C(Br)(Cl)F) -14.5PredN
C(Cl)OC(Br)(F)9410177.397C2H3BrClFObromo(chloromethoxy)fluoromethaneN96C(Cl)OC(Br)(F)InChI=1S/C2H3BrClFO/c3-2(5)6-1-4/h2H,1H2InChIKey=QCVVNALLHHXPAE-UHFFFAOYSA-N130.4Ex 130.35(BP est) -50.44(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(Br)(F) -50.4PredN
C(F)OC(Br)(Cl)9411177.397C2H3BrClFObromochloro(fluoromethoxy)methaneN96C(F)OC(Br)(Cl)InChI=1S/C2H3BrClFO/c3-2(4)6-1-5/h2H,1H2InChIKey=JDUTVDKORMJOMD-UHFFFAOYSA-N117.7Ex 117.74(BP est) -54.12(MP est) ----(BP exp) ----(MP exp) C(F)OC(Br)(Cl) -54.1PredN
COC(Br)(Cl)(F)9412177.397C2H3BrClFObromochlorofluoro(methoxy)methaneN96COC(Br)(Cl)(F)InChI=1S/C2H3BrClFO/c1-6-2(3,4)5/h1H3InChIKey=FNCOCZMBYYSWJA-UHFFFAOYSA-N95.4Ex 95.38(BP est) -51.94(MP est) ----(BP exp) ----(MP exp) COC(Br)(Cl)(F) -51.9PredN
NNC(Br)(Cl)(F)9413177.401CH3BrClFN2(bromochlorofluoromethyl)hydrazineN96NNC(Br)(Cl)(F)InChI=1S/CH3BrClFN2/c2-1(3,4)6-5/h6H,5H2InChIKey=NLOMDSQYSLEJCG-UHFFFAOYSA-N152.7Ex 152.66(BP est) 16.00(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Cl)(F) 16PredN
CC(Cl)(Cl)Br9415177.85C2H3BrCl21-bromo-1,1-dichloroethaneN85CC(Cl)(Cl)BrInChI=1S/C2H3BrCl2/c1-2(3,4)5/h1H3InChIKey=PJANZHKYXUFKRT-UHFFFAOYSA-N106.2Ex 106.22(BP est) -45.22(MP est) ----(BP exp) ----(MP exp) CC(Cl)(Cl)Br -45.2PredN
ClCC(Cl)Br9416177.85C2H3BrCl21-bromo-1,2-dichloroethaneN85ClCC(Cl)BrInChI=1S/C2H3BrCl2/c3-2(5)1-4/h2H,1H2InChIKey=JVJIJQORJCIUME-UHFFFAOYSA-N134.5Ex 152.66(BP est) -40.37(MP est) ----(BP exp) ----(MP exp) ClCC(Cl)Br -40.4PredN
BrCC(Cl)Cl9417177.85C2H3BrCl22-bromo-1,1-dichloroethaneN85BrCC(Cl)ClInChI=1S/C2H3BrCl2/c3-1-2(4)5/h2H,1H2InChIKey=CTPJWJHJNKUPDY-UHFFFAOYSA-N140.5Ex 140.54(BP est) -43.91(MP est) ----(BP exp) ----(MP exp) BrCC(Cl)Cl -43.9PredN
C(F)(F)(I)9418177.92CHF2IdifluoroiodomethaneN54C(F)(F)(I)InChI=1S/CHF2I/c2-1(3)4/h1HInChIKey=YSLFMGDEEXOKHF-UHFFFAOYSA-N22.1Ex 53.66(BP est) -105.11(MP est) 21.60(BP exp) -122.00(MP exp) C(F)(F)(I) -122ExptN
IC=CC#C9419177.972C4H3I1-iodobut-1-en-3-yneN85IC=CC#CInChI=1S/C4H3I/c1-2-3-4-5/h1,3-4HInChIKey=PNWHGGWRPSINRP-UHFFFAOYSA-N150.7Ex 150.73(BP est) -32.01(MP est) ----(BP exp) ----(MP exp) IC=CC#C -32PredN
C=C(C#C)I9420177.972C4H3I2-iodobut-1-en-3-yneN85C=C(C#C)IInChI=1S/C4H3I/c1-3-4(2)5/h1H,2H2InChIKey=LHFVIJAYTICEGZ-UHFFFAOYSA-N136.1Ex 136.09(BP est) -41.61(MP est) ----(BP exp) ----(MP exp) C=C(C#C)I -41.6PredN
C=CC#CI9421177.972C4H3I4-iodobut-1-en-3-yneN85C=CC#CIInChI=1S/C4H3I/c1-2-3-4-5/h2H,1H2InChIKey=QWYPSOSNPXRMAA-UHFFFAOYSA-N150.5Ex 150.52(BP est) -0.85(MP est) ----(BP exp) ----(MP exp) C=CC#CI -0.9PredN
NOC(Cl)(F)Br9422178.385CH2BrClFNOO-(bromochlorofluoromethyl)hydroxylamineN86NOC(Cl)(F)BrInChI=1S/CH2BrClFNO/c2-1(3,4)6-5/h5H2InChIKey=BVGPNTVQBZEOPX-UHFFFAOYSA-N134.1Ex 134.11(BP est) -4.63(MP est) ----(BP exp) ----(MP exp) NOC(Cl)(F)Br -4.6PredN
NC(Cl)(Cl)Br9424178.838CH2BrCl2NbromodichloromethanamineN75NC(Cl)(Cl)BrInChI=1S/CH2BrCl2N/c2-1(3,4)5/h5H2InChIKey=QUSBTWZEJLJCJA-UHFFFAOYSA-N144.3Ex 144.28(BP est) 1.89(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)Br 1.9PredN
F[Si](F)(CBr)F9431179.011CH2BrF3Si(bromomethyl)trifluorosilaneN86F[Si](F)(CBr)FInChI=1S/CH2BrF3Si/c2-1-6(3,4)5/h1H2InChIKey=BIBLIUDDEPKERO-UHFFFAOYSA-N33.2Ex 33.24(BP est) -98.47(MP est) ----(BP exp) ----(MP exp) F[Si](F)(CBr)F -98.5PredN
PC(F)(Br)Cl9432179.353CH2BrClFP(bromochlorofluoromethyl)phosphaneN75PC(F)(Br)ClInChI=1S/CH2BrClFP/c2-1(3,4)5/h5H2InChIKey=CHVDNOQHTZYMFG-UHFFFAOYSA-N107.2Ex 107.23(BP est) -49.54(MP est) ----(BP exp) ----(MP exp) PC(F)(Br)Cl -49.5PredN
C(F)(C(Br)(Cl)F)9435179.389C2H2BrClF21-bromo-1-chloro-1,2-difluoroethaneN86C(F)(C(Br)(Cl)F)InChI=1S/C2H2BrClF2/c3-2(4,6)1-5/h1H2InChIKey=JILSVNQLEQJWIK-UHFFFAOYSA-N72.2Ex 72.21(BP est) -69.52(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(Cl)F) -69.5PredN
C(Br)(Cl)(C(F)F)9436179.389C2H2BrClF21-bromo-1-chloro-2,2-difluoroethaneN86C(Br)(Cl)(C(F)F)InChI=1S/C2H2BrClF2/c3-1(4)2(5)6/h1-2HInChIKey=TXBKXUGBNVFEIF-UHFFFAOYSA-N80.6Ex 80.62(BP est) -83.28(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C(F)F) -83.3PredN
C(Cl)(C(Br)(F)F)9437179.389C2H2BrClF21-bromo-2-chloro-1,1-difluoroethaneN86C(Cl)(C(Br)(F)F)InChI=1S/C2H2BrClF2/c3-2(5,6)1-4/h1H2InChIKey=FFSMSSWIZLKFLU-UHFFFAOYSA-N99.0Ex 98.97(BP est) -61.71(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)(F)F) -61.7PredN
C(Cl)(F)(C(Br)F)9438179.389C2H2BrClF21-bromo-2-chloro-1,2-difluoroethaneN86C(Cl)(F)(C(Br)F)InChI=1S/C2H2BrClF2/c3-1(5)2(4)6/h1-2HInChIKey=HBPBRPHKBQIRIV-UHFFFAOYSA-N80.6Ex 80.62(BP est) -83.28(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(Br)F) -83.3PredN
C(Br)(C(Cl)(F)F)9439179.389C2H2BrClF22-bromo-1-chloro-1,1-difluoroethaneN86C(Br)(C(Cl)(F)F)InChI=1S/C2H2BrClF2/c3-1-2(4,5)6/h1H2InChIKey=KORUNPLQGRLDSJ-UHFFFAOYSA-N68.0Ex 72.21(BP est) -69.52(MP est) 68.40(BP exp) -76.00(MP exp) C(Br)(C(Cl)(F)F) -76ExptN
SC(Br)(Cl)(F)9441179.431CHBrClFSbromochlorofluoromethanethiolN65SC(Br)(Cl)(F)InChI=1S/CHBrClFS/c2-1(3,4)5/h5HInChIKey=AFUHKUDEAIOPFS-UHFFFAOYSA-N129.0Ex 129.00(BP est) -40.64(MP est) ----(BP exp) ----(MP exp) SC(Br)(Cl)(F) -40.6PredN
OC(Cl)(Cl)Br9442179.822CHBrCl2ObromodichloromethanolN65OC(Cl)(Cl)BrInChI=1S/CHBrCl2O/c2-1(3,4)5/h5HInChIKey=XBVJAPUQSOBXBN-UHFFFAOYSA-N151.0Ex 150.99(BP est) -7.37(MP est) ----(BP exp) ----(MP exp) OC(Cl)(Cl)Br -7.4PredN
C(=O)C#C(I)9444179.944C3HIO3-iodopropiolaldehydeN65C(=O)C#C(I)InChI=1S/C3HIO/c4-2-1-3-5/h3HInChIKey=KSZLXUUEARNIAV-UHFFFAOYSA-N184.8Ex 184.83(BP est) 25.42(MP est) ----(BP exp) ----(MP exp) C(=O)C#C(I) 25.4PredN
IC=C1CC19445179.988C4H5I(iodomethylene)cyclopropaneN105IC=C1CC1InChI=1S/C4H5I/c5-3-4-1-2-4/h3H,1-2H2InChIKey=XEFPYFYSHZYENS-UHFFFAOYSA-N149.3Ex 149.29(BP est) -37.11(MP est) ----(BP exp) ----(MP exp) IC=C1CC1 -37.1PredN
ICC1=CC19446179.988C4H5I1-(iodomethyl)cycloprop-1-eneN105ICC1=CC1InChI=1S/C4H5I/c5-3-4-1-2-4/h1H,2-3H2InChIKey=PAGKGXKEVCUPTI-UHFFFAOYSA-N147.3Ex 147.33(BP est) -36.22(MP est) ----(BP exp) ----(MP exp) ICC1=CC1 -36.2PredN
IC(C1)=C1C9447179.988C4H5I1-iodo-2-methylcycloprop-1-eneN105IC(C1)=C1CInChI=1S/C4H5I/c1-3-2-4(3)5/h2H2,1H3InChIKey=GXZIZZBGTSRCOM-UHFFFAOYSA-N145.4Ex 145.42(BP est) -30.51(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1C -30.5PredN
C=C1CC1I9448179.988C4H5I1-iodo-2-methylenecyclopropaneN105C=C1CC1IInChI=1S/C4H5I/c1-3-2-4(3)5/h4H,1-2H2InChIKey=LEHGYNILLHQINR-UHFFFAOYSA-N134.2Ex 134.22(BP est) -41.96(MP est) ----(BP exp) ----(MP exp) C=C1CC1I -42PredN
IC1=CC1C9449179.988C4H5I1-iodo-3-methylcycloprop-1-eneN105IC1=CC1CInChI=1S/C4H5I/c1-3-2-4(3)5/h2-3H,1H3InChIKey=VIKXRMUDFVEDAA-UHFFFAOYSA-N140.9Ex 140.87(BP est) -40.22(MP est) ----(BP exp) ----(MP exp) IC1=CC1C -40.2PredN
CCC#CI9450179.988C4H5I1-iodobut-1-yneN105CCC#CIInChI=1S/C4H5I/c1-2-3-4-5/h2H2,1H3InChIKey=GPHAMKUHSWZJKB-UHFFFAOYSA-N152.2Ex 152.16(BP est) 0.51(MP est) ----(BP exp) ----(MP exp) CCC#CI 0.5PredN
CC#CCI9451179.988C4H5I1-iodobut-2-yneN105CC#CCIInChI=1S/C4H5I/c1-2-3-4-5/h4H2,1H3InChIKey=LKAIOZOVAZYTRN-UHFFFAOYSA-N152.2Ex 152.16(BP est) 0.51(MP est) ----(BP exp) ----(MP exp) CC#CCI 0.5PredN
C=CC=CI9452179.988C4H5I1-iodobuta-1,3-dieneN105C=CC=CIInChI=1S/C4H5I/c1-2-3-4-5/h2-4H,1H2InChIKey=JOHAQMAAWUPCOX-UHFFFAOYSA-N141.3Ex 141.27(BP est) -59.14(MP est) ----(BP exp) ----(MP exp) C=CC=CI -59.1PredN
IC1=CCC19453179.988C4H5I1-iodocyclobut-1-eneN105IC1=CCC1InChI=1S/C4H5I/c5-4-2-1-3-4/h2H,1,3H2InChIKey=VRKSEGYRHMRTAQ-UHFFFAOYSA-N149.4Ex 149.36(BP est) -37.39(MP est) ----(BP exp) ----(MP exp) IC1=CCC1 -37.4PredN
C=CC(I)=C9454179.988C4H5I2-iodobuta-1,3-dieneN105C=CC(I)=CInChI=1S/C4H5I/c1-3-4(2)5/h3H,1-2H2InChIKey=DGISDWFBUFRNNR-UHFFFAOYSA-N126.4Ex 126.37(BP est) -68.81(MP est) ----(BP exp) ----(MP exp) C=CC(I)=C -68.8PredN
ICC1C=C19455179.988C4H5I3-(iodomethyl)cycloprop-1-eneN105ICC1C=C1InChI=1S/C4H5I/c5-3-4-1-2-4/h1-2,4H,3H2InChIKey=SWBFVZDFISIWQD-UHFFFAOYSA-N142.8Ex 142.79(BP est) -45.92(MP est) ----(BP exp) ----(MP exp) ICC1C=C1 -45.9PredN
CC1=CC1I9456179.988C4H5I3-iodo-1-methylcycloprop-1-eneN105CC1=CC1IInChI=1S/C4H5I/c1-3-2-4(3)5/h2,4H,1H3InChIKey=BMLCIVSZWQXYLR-UHFFFAOYSA-N140.9Ex 140.87(BP est) -40.22(MP est) ----(BP exp) ----(MP exp) CC1=CC1I -40.2PredN
IC1(C)C=C19457179.988C4H5I3-iodo-3-methylcycloprop-1-eneN105IC1(C)C=C1InChI=1S/C4H5I/c1-4(5)2-3-4/h2-3H,1H3InChIKey=JJUPUJFLLYNSDO-UHFFFAOYSA-N130.9Ex 130.87(BP est) -37.45(MP est) ----(BP exp) ----(MP exp) IC1(C)C=C1 -37.5PredN
CC(C#C)I9458179.988C4H5I3-iodobut-1-yneN105CC(C#C)IInChI=1S/C4H5I/c1-3-4(2)5/h1,4H,2H3InChIKey=VVVJNRWCRUJIKA-UHFFFAOYSA-N130.3Ex 130.28(BP est) -42.94(MP est) ----(BP exp) ----(MP exp) CC(C#C)I -42.9PredN
IC1CC=C19459179.988C4H5I3-iodocyclobut-1-eneN105IC1CC=C1InChI=1S/C4H5I/c5-4-2-1-3-4/h1-2,4H,3H2InChIKey=RGSWKOCTTQZOOT-UHFFFAOYSA-N144.8Ex 144.84(BP est) -47.09(MP est) ----(BP exp) ----(MP exp) IC1CC=C1 -47.1PredN
ICCC#C9460179.988C4H5I4-iodobut-1-yneN105ICCC#CInChI=1S/C4H5I/c1-2-3-4-5/h1H,3-4H2InChIKey=SGLSTFIXVDSVNV-UHFFFAOYSA-N143.9Ex 143.90(BP est) -31.47(MP est) ----(BP exp) ----(MP exp) ICCC#C -31.5PredN
NC(I)(C#C)9467180.976C3H4IN1-iodoprop-2-yn-1-amineN95NC(I)(C#C)InChI=1S/C3H4IN/c1-2-3(4)5/h1,3H,5H2InChIKey=ODGBKFXNBBBSBS-UHFFFAOYSA-N166.8Ex 166.80(BP est) 3.72(MP est) ----(BP exp) ----(MP exp) NC(I)(C#C) 3.7PredN
ICC1=CN19468180.976C3H4IN2-(iodomethyl)-1H-azirineN95ICC1=CN1InChI=1S/C3H4IN/c4-1-3-2-5-3/h2,5H,1H2InChIKey=HXCSKMRMCZRHHP-UHFFFAOYSA-N181.9Ex 181.92(BP est) 20.76(MP est) ----(BP exp) ----(MP exp) ICC1=CN1 20.8PredN
IC(N1)=C1C9469180.976C3H4IN2-iodo-3-methyl-1H-azirineN95IC(N1)=C1CInChI=1S/C3H4IN/c1-2-3(4)5-2/h5H,1H3InChIKey=FBFXNKCZTMWPFP-UHFFFAOYSA-N180.1Ex 180.13(BP est) 26.50(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1C 26.5PredN
NC(C#CI)9470180.976C3H4IN3-iodoprop-2-yn-1-amineN95NC(C#CI)InChI=1S/C3H4IN/c4-2-1-3-5/h3,5H2InChIKey=BUFWIPNVCKUDQR-UHFFFAOYSA-N187.2Ex 187.22(BP est) 21.20(MP est) ----(BP exp) ----(MP exp) NC(C#CI) 21.2PredN
C(Br)(Cl)(Cl)(F)9475181.813CBrCl2FbromodichlorofluoromethaneN55C(Br)(Cl)(Cl)(F)InChI=1S/CBrCl2F/c2-1(3,4)5InChIKey=ARBYBCHKMDUXNE-UHFFFAOYSA-N51.5Ex 84.39(BP est) -56.93(MP est) 52.00(BP exp) -106.00(MP exp) C(Br)(Cl)(Cl)(F) -106ExptN
OC(I)(C#C)9477181.96C3H3IO1-iodoprop-2-yn-1-olN85OC(I)(C#C)InChI=1S/C3H3IO/c1-2-3(4)5/h1,3,5HInChIKey=GILKVTZWTVOGJV-UHFFFAOYSA-N183.0Ex 182.98(BP est) -2.78(MP est) ----(BP exp) ----(MP exp) OC(I)(C#C) -2.8PredN
ICC1=CO19478181.96C3H3IO2-(iodomethyl)oxireneN85ICC1=CO1InChI=1S/C3H3IO/c4-1-3-2-5-3/h2H,1H2InChIKey=XNZDTVQGDBUQET-UHFFFAOYSA-N153.3Ex 153.29(BP est) -26.83(MP est) ----(BP exp) ----(MP exp) ICC1=CO1 -26.8PredN
IC(O1)=C1C9479181.96C3H3IO2-iodo-3-methyloxireneN85IC(O1)=C1CInChI=1S/C3H3IO/c1-2-3(4)5-2/h1H3InChIKey=YTOMMUPCMLYRKL-UHFFFAOYSA-N151.4Ex 151.40(BP est) -21.12(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1C -21.1PredN
C(=O)C(I)=C9480181.96C3H3IO2-iodoacrylaldehydeN85C(=O)C(I)=CInChI=1S/C3H3IO/c1-3(4)2-5/h2H,1H2InChIKey=ITMRZJAOPQPYQB-UHFFFAOYSA-N162.3Ex 162.25(BP est) -42.09(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)=C -42.1PredN
C(=O)C=C(I)9481181.96C3H3IO3-iodoacrylaldehydeN85C(=O)C=C(I)InChI=1S/C3H3IO/c4-2-1-3-5/h1-3HInChIKey=USCIAUQYKPSEHG-UHFFFAOYSA-N176.2Ex 176.19(BP est) -32.70(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(I) -32.7PredN
OC(C#CI)9482181.96C3H3IO3-iodoprop-2-yn-1-olN85OC(C#CI)InChI=1S/C3H3IO/c4-2-1-3-5/h5H,3H2InChIKey=JYQJMGROXSSXDR-UHFFFAOYSA-N209.1Ex 209.08(BP est) 30.74(MP est) ----(BP exp) ----(MP exp) OC(C#CI) 30.7PredN
ICC1CC19483182.004C4H7I(iodomethyl)cyclopropaneN125ICC1CC1InChI=1S/C4H7I/c5-3-4-1-2-4/h4H,1-3H2InChIKey=JHKJQWFHNIOUKY-UHFFFAOYSA-N139.9Ex 139.85(BP est) -47.16(MP est) ----(BP exp) ----(MP exp) ICC1CC1 -47.2PredN
IC1(CC1)C9484182.004C4H7I1-iodo-1-methylcyclopropaneN125IC1(CC1)CInChI=1S/C4H7I/c1-4(5)2-3-4/h2-3H2,1H3InChIKey=RPLWPMKWAMAWPT-UHFFFAOYSA-N127.9Ex 127.86(BP est) -38.71(MP est) ----(BP exp) ----(MP exp) IC1(CC1)C -38.7PredN
CC1CC1I9485182.004C4H7I1-iodo-2-methylcyclopropaneN125CC1CC1IInChI=1S/C4H7I/c1-3-2-4(3)5/h3-4H,2H2,1H3InChIKey=KVUXFDXBJAIWTM-UHFFFAOYSA-N133.3Ex 133.29(BP est) -51.20(MP est) ----(BP exp) ----(MP exp) CC1CC1I -51.2PredN
IC=C(C)C9486182.004C4H7I1-iodo-2-methylprop-1-eneN125IC=C(C)CInChI=1S/C4H7I/c1-4(2)3-5/h3H,1-2H3InChIKey=INLKHEAPNAVZAJ-UHFFFAOYSA-N115.0Ex 136.80(BP est) -66.54(MP est) ----(BP exp) ----(MP exp) IC=C(C)C -66.5PredN
CCC=CI9487182.004C4H7I1-iodobut-1-eneN125CCC=CIInChI=1S/C4H7I/c1-2-3-4-5/h3-4H,2H2,1H3InChIKey=UENDJFLKLJJYIK-UHFFFAOYSA-N168.0Ex 142.94(BP est) -57.77(MP est) ----(BP exp) ----(MP exp) CCC=CI -57.8PredN
CC=CCI9488182.004C4H7I1-iodobut-2-eneN125CC=CCIInChI=1S/C4H7I/c1-2-3-4-5/h2-3H,4H2,1H3InChIKey=LOPHPAWGOMDGMA-UHFFFAOYSA-N132.0Ex 142.94(BP est) -57.77(MP est) ----(BP exp) ----(MP exp) CC=CCI -57.8PredN
CCC(I)=C9489182.004C4H7I2-iodobut-1-eneN125CCC(I)=CInChI=1S/C4H7I/c1-3-4(2)5/h2-3H2,1H3InChIKey=OAGSUVCXVPDHDA-UHFFFAOYSA-N126.9Ex 128.09(BP est) -67.43(MP est) ----(BP exp) ----(MP exp) CCC(I)=C -67.4PredN
CC=C(C)I9490182.004C4H7I2-iodobut-2-eneN125CC=C(C)IInChI=1S/C4H7I/c1-3-4(2)5/h3H,1-2H3InChIKey=AJZOKUDUBRHSAU-UHFFFAOYSA-N115.0Ex 136.80(BP est) -66.54(MP est) ----(BP exp) ----(MP exp) CC=C(C)I -66.5PredN
C=C(CI)C9491182.004C4H7I3-iodo-2-methylprop-1-eneN125C=C(CI)CInChI=1S/C4H7I/c1-4(2)3-5/h1,3H2,2H3InChIKey=HVSJHYFLAANPJS-UHFFFAOYSA-N107.5Ex 128.09(BP est) -67.43(MP est) ----(BP exp) ----(MP exp) C=C(CI)C -67.4PredN
CC(C=C)I9492182.004C4H7I3-iodobut-1-eneN125CC(C=C)IInChI=1S/C4H7I/c1-3-4(2)5/h3-4H,1H2,2H3InChIKey=NYQHSJSYYSBOJN-UHFFFAOYSA-N126.9Ex 120.47(BP est) -70.17(MP est) ----(BP exp) ----(MP exp) CC(C=C)I -70.2PredN
ICCC=C9493182.004C4H7I4-iodobut-1-eneN125ICCC=CInChI=1S/C4H7I/c1-2-3-4-5/h2H,1,3-4H2InChIKey=VUSYNHBKPCGGCI-UHFFFAOYSA-N126.9Ex 134.32(BP est) -58.63(MP est) ----(BP exp) ----(MP exp) ICCC=C -58.6PredN
IC1CCC19494182.004C4H7IiodocyclobutaneN125IC1CCC1InChI=1S/C4H7I/c5-4-2-1-3-4/h4H,1-3H2InChIKey=DXVOSTCYXXRQEW-UHFFFAOYSA-N141.9Ex 141.90(BP est) -48.32(MP est) ----(BP exp) ----(MP exp) IC1CCC1 -48.3PredN
NOC#CI9498182.948C2H2INOO-(iodoethynyl)hydroxylamineN75NOC#CIInChI=1S/C2H2INO/c3-1-2-5-4/h4H2InChIKey=OAMUWMSVKYBFJW-UHFFFAOYSA-N188.0Ex 188.02(BP est) 24.29(MP est) ----(BP exp) ----(MP exp) NOC#CI 24.3PredN
NC(I)(C1)(C1)9499182.992C3H6IN1-iodocyclopropan-1-amineN115NC(I)(C1)(C1)InChI=1S/C3H6IN/c4-3(5)1-2-3/h1-2,5H2InChIKey=CDCLTIQMMDOSEA-UHFFFAOYSA-N164.5Ex 164.54(BP est) 7.99(MP est) ----(BP exp) ----(MP exp) NC(I)(C1)(C1) 8PredN
NC(C=C)I9500182.992C3H6IN1-iodoprop-2-en-1-amineN115NC(C=C)IInChI=1S/C3H6IN/c1-2-3(4)5/h2-3H,1,5H2InChIKey=RPHCIFXSFNYFIO-UHFFFAOYSA-N157.6Ex 157.62(BP est) -23.33(MP est) ----(BP exp) ----(MP exp) NC(C=C)I -23.3PredN
ICC1CN19501182.992C3H6IN2-(iodomethyl)aziridineN115ICC1CN1InChI=1S/C3H6IN/c4-1-3-2-5-3/h3,5H,1-2H2InChIKey=VOBOSANVCUWCGC-UHFFFAOYSA-N174.9Ex 174.92(BP est) 9.96(MP est) ----(BP exp) ----(MP exp) ICC1CN1 10PredN
IC1(C)CN19502182.992C3H6IN2-iodo-2-methylaziridineN115IC1(C)CN1InChI=1S/C3H6IN/c1-3(4)2-5-3/h5H,2H2,1H3InChIKey=NJBKPFPCLJSLQC-UHFFFAOYSA-N163.7Ex 163.70(BP est) 18.63(MP est) ----(BP exp) ----(MP exp) IC1(C)CN1 18.6PredN
IC1C(C)N19503182.992C3H6IN2-iodo-3-methylaziridineN115IC1C(C)N1InChI=1S/C3H6IN/c1-2-3(4)5-2/h2-3,5H,1H3InChIKey=MZCZXWGQBACSIV-UHFFFAOYSA-N168.8Ex 168.79(BP est) 6.05(MP est) ----(BP exp) ----(MP exp) IC1C(C)N1 6.1PredN
IC1NCC19504182.992C3H6IN2-iodoazetidineN115IC1NCC1InChI=1S/C3H6IN/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=DZWRNHNLKQNDBD-UHFFFAOYSA-N176.8Ex 176.84(BP est) 8.76(MP est) ----(BP exp) ----(MP exp) IC1NCC1 8.8PredN
NC(C1)(C1I)9505182.992C3H6IN2-iodocyclopropan-1-amineN115NC(C1)(C1I)InChI=1S/C3H6IN/c4-2-1-3(2)5/h2-3H,1,5H2InChIKey=YYGNAMRDKUELMW-UHFFFAOYSA-N169.6Ex 169.62(BP est) -4.60(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1I) -4.6PredN
NC(C(I)=C)9506182.992C3H6IN2-iodoprop-2-en-1-amineN115NC(C(I)=C)InChI=1S/C3H6IN/c1-3(4)2-5/h1-2,5H2InChIKey=XBXIDBDYTARTFW-UHFFFAOYSA-N164.8Ex 164.75(BP est) -20.73(MP est) ----(BP exp) ----(MP exp) NC(C(I)=C) -20.7PredN
IC1CNC19507182.992C3H6IN3-iodoazetidineN115IC1CNC1InChI=1S/C3H6IN/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=OUJHFSUYEFLCCV-UHFFFAOYSA-N176.8Ex 176.84(BP est) 8.76(MP est) ----(BP exp) ----(MP exp) IC1CNC1 8.8PredN
NC(C=CI)9508182.992C3H6IN3-iodoprop-2-en-1-amineN115NC(C=CI)InChI=1S/C3H6IN/c4-2-1-3-5/h1-2H,3,5H2InChIKey=AKQLQLNMWKTCLK-UHFFFAOYSA-N178.6Ex 178.62(BP est) -11.36(MP est) ----(BP exp) ----(MP exp) NC(C=CI) -11.4PredN
BrC#CBr9515183.83C2Br21,2-dibromoethyneN44BrC#CBrInChI=1S/C2Br2/c3-1-2-4InChIKey=JNFBOWNNNAHVNZ-UHFFFAOYSA-N147.3Ex 147.32(BP est) 18.60(MP est) ----(BP exp) ----(MP exp) BrC#CBr 18.6PredN
IC(C1)=C1F9517183.952C3H2FI1-fluoro-2-iodocycloprop-1-eneN75IC(C1)=C1FInChI=1S/C3H2FI/c4-2-1-3(2)5/h1H2InChIKey=KECBOPUBEALSQV-UHFFFAOYSA-N125.0Ex 124.98(BP est) -41.82(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1F -41.8PredN
FC1=CC1I9518183.952C3H2FI1-fluoro-3-iodocycloprop-1-eneN75FC1=CC1IInChI=1S/C3H2FI/c4-2-1-3(2)5/h1,3HInChIKey=FFCUZOGLUQABHX-UHFFFAOYSA-N120.3Ex 120.26(BP est) -51.58(MP est) ----(BP exp) ----(MP exp) FC1=CC1I -51.6PredN
C(I)(C#CF)9519183.952C3H2FI1-fluoro-3-iodoprop-1-yneN75C(I)(C#CF)InChI=1S/C3H2FI/c4-2-1-3-5/h3H2InChIKey=HPZGAZVMOKDPHU-UHFFFAOYSA-N132.0Ex 131.97(BP est) -10.72(MP est) ----(BP exp) ----(MP exp) C(I)(C#CF) -10.7PredN
IC1=CC1F9520183.952C3H2FI3-fluoro-1-iodocycloprop-1-eneN75IC1=CC1FInChI=1S/C3H2FI/c4-2-1-3(2)5/h1-2HInChIKey=AOIQJJFEEMZKBF-UHFFFAOYSA-N120.3Ex 120.26(BP est) -51.58(MP est) ----(BP exp) ----(MP exp) IC1=CC1F -51.6PredN
C(F)(C#CI)9521183.952C3H2FI3-fluoro-1-iodoprop-1-yneN75C(F)(C#CI)InChI=1S/C3H2FI/c4-2-1-3-5/h2H2InChIKey=WYGQSXMJEPZSKB-UHFFFAOYSA-N132.0Ex 131.97(BP est) -10.72(MP est) ----(BP exp) ----(MP exp) C(F)(C#CI) -10.7PredN
FC1(I)C=C19522183.952C3H2FI3-fluoro-3-iodocycloprop-1-eneN75FC1(I)C=C1InChI=1S/C3H2FI/c4-3(5)1-2-3/h1-2HInChIKey=SHDQARQMROZIPJ-UHFFFAOYSA-N109.9Ex 109.90(BP est) -48.92(MP est) ----(BP exp) ----(MP exp) FC1(I)C=C1 -48.9PredN
C(F)(I)(C#C)9523183.952C3H2FI3-fluoro-3-iodoprop-1-yneN75C(F)(I)(C#C)InChI=1S/C3H2FI/c1-2-3(4)5/h1,3HInChIKey=AFAYNTPSSCPWNO-UHFFFAOYSA-N109.3Ex 109.29(BP est) -54.41(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C#C) -54.4PredN
ICOC=C9524183.976C3H5IO(iodomethoxy)etheneN105ICOC=CInChI=1S/C3H5IO/c1-2-5-3-4/h2H,1,3H2InChIKey=OOUYOVDJTBUNBM-UHFFFAOYSA-N135.2Ex 135.20(BP est) -52.89(MP est) ----(BP exp) ----(MP exp) ICOC=C -52.9PredN
COC(I)=C9525183.976C3H5IO1-iodo-1-methoxyetheneN105COC(I)=CInChI=1S/C3H5IO/c1-3(4)5-2/h1H2,2H3InChIKey=JOBBXSVDUCWQSY-UHFFFAOYSA-N129.0Ex 128.98(BP est) -61.69(MP est) ----(BP exp) ----(MP exp) COC(I)=C -61.7PredN
COC=CI9526183.976C3H5IO1-iodo-2-methoxyetheneN105COC=CIInChI=1S/C3H5IO/c1-5-3-2-4/h2-3H,1H3InChIKey=AQKTYDPXSXJWOK-UHFFFAOYSA-N143.8Ex 143.81(BP est) -52.04(MP est) ----(BP exp) ----(MP exp) COC=CI -52PredN
OC(I)(C1)(C1)9527183.976C3H5IO1-iodocyclopropan-1-olN105OC(I)(C1)(C1)InChI=1S/C3H5IO/c4-3(5)1-2-3/h5H,1-2H2InChIKey=CWRYILMOPJCDCF-UHFFFAOYSA-N171.0Ex 171.00(BP est) -1.34(MP est) ----(BP exp) ----(MP exp) OC(I)(C1)(C1) -1.3PredN
OC(I)(C=C)9528183.976C3H5IO1-iodoprop-2-en-1-olN105OC(I)(C=C)InChI=1S/C3H5IO/c1-2-3(4)5/h2-3,5H,1H2InChIKey=XBWDXHUNQPXBQU-UHFFFAOYSA-N174.1Ex 174.10(BP est) -29.74(MP est) ----(BP exp) ----(MP exp) OC(I)(C=C) -29.7PredN
CC(CI)=O9529183.976C3H5IO1-iodopropan-2-oneN105CC(CI)=OInChI=1S/C3H5IO/c1-3(5)2-4/h2H2,1H3InChIKey=WEFSXBPMNKAUDL-UHFFFAOYSA-N157.2Ex 157.17(BP est) -31.74(MP est) ----(BP exp) ----(MP exp) CC(CI)=O -31.7PredY(Kladi et al. 2004)
ICC1CO19530183.976C3H5IO2-(iodomethyl)oxiraneN105ICC1CO1InChI=1S/C3H5IO/c4-1-3-2-5-3/h3H,1-2H2InChIKey=AGIBHMPYXXPGAX-UHFFFAOYSA-N145.9Ex 145.88(BP est) -37.75(MP est) ----(BP exp) ----(MP exp) ICC1CO1 -37.8PredN
IC1(C)CO19531183.976C3H5IO2-iodo-2-methyloxiraneN105IC1(C)CO1InChI=1S/C3H5IO/c1-3(4)2-5-3/h2H2,1H3InChIKey=ZRZDLMOZJPRQMI-UHFFFAOYSA-N134.0Ex 134.03(BP est) -29.26(MP est) ----(BP exp) ----(MP exp) IC1(C)CO1 -29.3PredN
IC1C(C)O19532183.976C3H5IO2-iodo-3-methyloxiraneN105IC1C(C)O1InChI=1S/C3H5IO/c1-2-3(4)5-2/h2-3H,1H3InChIKey=VXTRMOPOMIFMAA-UHFFFAOYSA-N139.4Ex 139.40(BP est) -41.76(MP est) ----(BP exp) ----(MP exp) IC1C(C)O1 -41.8PredN
OC(C1)(C1I)9533183.976C3H5IO2-iodocyclopropan-1-olN105OC(C1)(C1I)InChI=1S/C3H5IO/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=FOUDKJIAOVLSSS-UHFFFAOYSA-N185.7Ex 185.71(BP est) -11.12(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1I) -11.1PredN
IC1OCC19534183.976C3H5IO2-iodooxetaneN105IC1OCC1InChI=1S/C3H5IO/c4-3-1-2-5-3/h3H,1-2H2InChIKey=LXXWYTNNMDSTEU-UHFFFAOYSA-N147.9Ex 147.92(BP est) -38.92(MP est) ----(BP exp) ----(MP exp) IC1OCC1 -38.9PredN
OC(C(I)=C)9535183.976C3H5IO2-iodoprop-2-en-1-olN105OC(C(I)=C)InChI=1S/C3H5IO/c1-3(4)2-5/h5H,1-2H2InChIKey=FHHWTHLPJBYMGP-UHFFFAOYSA-N187.7Ex 187.66(BP est) -25.26(MP est) ----(BP exp) ----(MP exp) OC(C(I)=C) -25.3PredN
O=CC(C)I9536183.976C3H5IO2-iodopropanalN105O=CC(C)IInChI=1S/C3H5IO/c1-3(4)2-5/h2-3H,1H3InChIKey=YPCNRIPGXOZNTM-UHFFFAOYSA-N156.7Ex 156.72(BP est) -43.34(MP est) ----(BP exp) ----(MP exp) O=CC(C)I -43.3PredN
IC1COC19537183.976C3H5IO3-iodooxetaneN105IC1COC1InChI=1S/C3H5IO/c4-3-1-5-2-3/h3H,1-2H2InChIKey=KBEIFKMKVCDETC-UHFFFAOYSA-N147.9Ex 147.92(BP est) -38.92(MP est) ----(BP exp) ----(MP exp) IC1COC1 -38.9PredN
OC(C=CI)9538183.976C3H5IO3-iodoprop-2-en-1-olN105OC(C=CI)InChI=1S/C3H5IO/c4-2-1-3-5/h1-2,5H,3H2InChIKey=QPQXCZGFJJMKHH-UHFFFAOYSA-N200.9Ex 200.89(BP est) -16.08(MP est) ----(BP exp) ----(MP exp) OC(C=CI) -16.1PredN
C(=O)C(CI)9539183.976C3H5IO3-iodopropanalN105C(=O)C(CI)InChI=1S/C3H5IO/c4-2-1-3-5/h3H,1-2H2InChIKey=RDAOTCDCHAKJAP-UHFFFAOYSA-N169.7Ex 169.69(BP est) -32.06(MP est) ----(BP exp) ----(MP exp) C(=O)C(CI) -32.1PredN
IC1=CS19540183.994C2HIS2-iodothiireneN54IC1=CS1InChI=1S/C2HIS/c3-2-1-4-2/h1HInChIKey=ZYTVJLONAVDDKK-UHFFFAOYSA-N163.9Ex 163.86(BP est) -3.94(MP est) ----(BP exp) ----(MP exp) IC1=CS1 -3.9PredN
CC(CI)C9541184.02C4H9I1-iodo-2-methylpropaneN145CC(CI)CInChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3InChIKey=BTUGGGLMQBJCBN-UHFFFAOYSA-N120.2Ex 122.20(BP est) -68.78(MP est) 121.10(BP exp) -93.00(MP exp) CC(CI)C -93ExptY(Laturnus 2001)
CCCCI9542184.02C4H9I1-iodobutaneN145CCCCIInChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3InChIKey=KMGBZBJJOKUPIA-UHFFFAOYSA-N130.2Ex 136.01(BP est) -57.25(MP est) 130.60(BP exp) -103.00(MP exp) CCCCI -103ExptY(Kladi et al. 2004)
IC(C)(C)C9543184.02C4H9I2-iodo-2-methylpropaneN145IC(C)(C)CInChI=1S/C4H9I/c1-4(2,3)5/h1-3H3InChIKey=ANGGPYSFTXVERY-UHFFFAOYSA-N100.0Ex 112.95(BP est) -62.78(MP est) 100.10(BP exp) -38.20(MP exp) IC(C)(C)C -38.2ExptY(Gribble 2009)
CCC(C)I9544184.02C4H9I2-iodobutaneN145CCC(C)IInChI=1S/C4H9I/c1-3-4(2)5/h4H,3H2,1-2H3InChIKey=IQRUSQUYPCHEKN-UHFFFAOYSA-N119.6Ex 122.20(BP est) -68.78(MP est) 120.00(BP exp) -104.00(MP exp) CCC(C)I -104ExptY(Kladi et al. 2004)
IC(N1)=C1F9549184.94C2HFIN2-fluoro-3-iodo-1H-azirineN65IC(N1)=C1FInChI=1S/C2HFIN/c3-1-2(4)5-1/h5HInChIKey=XISHVWLOCFGZDN-UHFFFAOYSA-N161.0Ex 161.01(BP est) 15.58(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1F 15.6PredN
ICC(N)=O9550184.964C2H4INO2-iodoacetamideN95ICC(N)=OInChI=1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)InChIKey=PGLTVOMIXTUURA-UHFFFAOYSA-N265.8Ex 265.77(BP est) 64.21(MP est) ----(BP exp) 94.50(MP exp) ICC(N)=O 94.5ExptY(Gribble 2003)
IC1N(O)C19551184.964C2H4INO2-iodoaziridin-1-olN95IC1N(O)C1InChI=1S/C2H4INO/c3-2-1-4(2)5/h2,5H,1H2InChIKey=FQUJBUHGXSBPFD-UHFFFAOYSA-N268.9Ex 268.93(BP est) 50.74(MP est) ----(BP exp) ----(MP exp) IC1N(O)C1 50.7PredN
IC1NOC19552184.964C2H4INO3-iodo-1,2-oxazetidineN95IC1NOC1InChI=1S/C2H4INO/c3-2-1-5-4-2/h2,4H,1H2InChIKey=UVKIWPASVZIJHL-UHFFFAOYSA-N182.5Ex 182.46(BP est) 18.05(MP est) ----(BP exp) ----(MP exp) IC1NOC1 18.1PredN
IC1CNO19553184.964C2H4INO4-iodo-1,2-oxazetidineN95IC1CNO1InChI=1S/C2H4INO/c3-2-1-4-5-2/h2,4H,1H2InChIKey=CGOAKDDTBYIJTO-UHFFFAOYSA-N182.5Ex 182.46(BP est) 18.05(MP est) ----(BP exp) ----(MP exp) IC1CNO1 18.1PredN
IC(NO)=C9554184.964C2H4INON-(1-iodovinyl)hydroxylamineN95IC(NO)=CInChI=1S/C2H4INO/c1-2(3)4-5/h4-5H,1H2InChIKey=JIXDWABVCRVRBD-UHFFFAOYSA-N219.3Ex 219.34(BP est) 4.69(MP est) ----(BP exp) ----(MP exp) IC(NO)=C 4.7PredN
NOC(I)=C9555184.964C2H4INOO-(1-iodovinyl)hydroxylamineN95NOC(I)=CInChI=1S/C2H4INO/c1-2(3)5-4/h1,4H2InChIKey=YQWVBAUUHPLOOX-UHFFFAOYSA-N165.6Ex 165.58(BP est) -15.00(MP est) ----(BP exp) ----(MP exp) NOC(I)=C -15PredN
NOC=CI9556184.964C2H4INOO-(2-iodovinyl)hydroxylamineN95NOC=CIInChI=1S/C2H4INO/c3-1-2-5-4/h1-2H,4H2InChIKey=RJZUNCOMUQLYAX-UHFFFAOYSA-N179.4Ex 179.43(BP est) -5.64(MP est) ----(BP exp) ----(MP exp) NOC=CI -5.6PredN
CN(CI)C9557185.008C3H8IN1-iodo-N,N-dimethylmethanamineN135CN(CI)CInChI=1S/C3H8IN/c1-5(2)3-4/h3H2,1-2H3InChIKey=VWCCXXIHYWIBTD-UHFFFAOYSA-N135.4Ex 135.38(BP est) -46.84(MP est) ----(BP exp) ----(MP exp) CN(CI)C -46.8PredN
CNC(C)I9558185.008C3H8IN1-iodo-N-methylethan-1-amineN135CNC(C)IInChI=1S/C3H8IN/c1-3(4)5-2/h3,5H,1-2H3InChIKey=CMVBQMJJIDJMQJ-UHFFFAOYSA-N142.0Ex 142.01(BP est) -42.30(MP est) ----(BP exp) ----(MP exp) CNC(C)I -42.3PredN
NC(CC)I9559185.008C3H8IN1-iodopropan-1-amineN135NC(CC)IInChI=1S/C3H8IN/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=VVJIJTSFMSZELY-UHFFFAOYSA-N159.3Ex 159.25(BP est) -21.97(MP est) ----(BP exp) ----(MP exp) NC(CC)I -22PredN
NC(CI)C9560185.008C3H8IN1-iodopropan-2-amineN135NC(CI)CInChI=1S/C3H8IN/c1-3(5)2-4/h3H,2,5H2,1H3InChIKey=YVURGVICOUYWPS-UHFFFAOYSA-N159.3Ex 159.25(BP est) -21.97(MP est) ----(BP exp) ----(MP exp) NC(CI)C -22PredN
CNCCI9561185.008C3H8IN2-iodo-N-methylethan-1-amineN135CNCCIInChI=1S/C3H8IN/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=NCBOOWSTLLAGKM-UHFFFAOYSA-N155.4Ex 155.35(BP est) -30.91(MP est) ----(BP exp) ----(MP exp) CNCCI -30.9PredN
NCC(C)I9562185.008C3H8IN2-iodopropan-1-amineN135NCC(C)IInChI=1S/C3H8IN/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=KNIYUKKFTIFSHV-UHFFFAOYSA-N159.3Ex 159.25(BP est) -21.97(MP est) ----(BP exp) ----(MP exp) NCC(C)I -22PredN
NC(C)(C)I9563185.008C3H8IN2-iodopropan-2-amineN135NC(C)(C)IInChI=1S/C3H8IN/c1-3(2,4)5/h5H2,1-2H3InChIKey=LFUDHNADHOVLDG-UHFFFAOYSA-N150.6Ex 150.58(BP est) -15.79(MP est) ----(BP exp) ----(MP exp) NC(C)(C)I -15.8PredN
NC(CCI)9564185.008C3H8IN3-iodopropan-1-amineN135NC(CCI)InChI=1S/C3H8IN/c4-2-1-3-5/h1-3,5H2InChIKey=FZSUKGFWZOUEJF-UHFFFAOYSA-N172.2Ex 172.15(BP est) -10.71(MP est) ----(BP exp) ----(MP exp) NC(CCI) -10.7PredN
ICNCC9565185.008C3H8INN-(iodomethyl)ethanamineN135ICNCCInChI=1S/C3H8IN/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=NZUVBBMJEAZFBT-UHFFFAOYSA-N155.4Ex 155.35(BP est) -30.91(MP est) ----(BP exp) ----(MP exp) ICNCC -30.9PredN
BrC(C#C)(P)Cl9568185.385C3H3BrClP(1-bromo-1-chloroprop-2-yn-1-yl)phosphaneN96BrC(C#C)(P)ClInChI=1S/C3H3BrClP/c1-2-3(4,5)6/h1H,6H2InChIKey=NJQHJRAEWNSEMH-UHFFFAOYSA-N158.5Ex 158.45(BP est) -0.13(MP est) ----(BP exp) ----(MP exp) BrC(C#C)(P)Cl -0.1PredN
PC(Br)C#CCl9569185.385C3H3BrClP(1-bromo-3-chloroprop-2-yn-1-yl)phosphaneN96PC(Br)C#CClInChI=1S/C3H3BrClP/c4-3(6)1-2-5/h3H,6H2InChIKey=CYOAHBMEFDNOSE-UHFFFAOYSA-N173.0Ex 173.03(BP est) 24.98(MP est) ----(BP exp) ----(MP exp) PC(Br)C#CCl 25PredN
PC(Cl)C#CBr9570185.385C3H3BrClP(3-bromo-1-chloroprop-2-yn-1-yl)phosphaneN96PC(Cl)C#CBrInChI=1S/C3H3BrClP/c4-2-1-3(5)6/h3H,6H2InChIKey=BQUZNMBNHSZHQR-UHFFFAOYSA-N186.2Ex 186.20(BP est) 28.83(MP est) ----(BP exp) ----(MP exp) PC(Cl)C#CBr 28.8PredN
BrC(PC#C)Cl9571185.385C3H3BrClP(bromochloromethyl)(ethynyl)phosphaneN96BrC(PC#C)ClInChI=1S/C3H3BrClP/c1-2-6-3(4)5/h1,3,6HInChIKey=ISUYTCSACXEZRF-UHFFFAOYSA-N160.2Ex 160.21(BP est) -16.51(MP est) ----(BP exp) ----(MP exp) BrC(PC#C)Cl -16.5PredN
ClCPC#CBr9572185.385C3H3BrClP(bromoethynyl)(chloromethyl)phosphaneN96ClCPC#CBrInChI=1S/C3H3BrClP/c4-1-2-6-3-5/h6H,3H2InChIKey=ODHYJDILEAGNAW-UHFFFAOYSA-N192.1Ex 192.10(BP est) 29.87(MP est) ----(BP exp) ----(MP exp) ClCPC#CBr 29.9PredN
BrCPC#CCl9573185.385C3H3BrClP(bromomethyl)(chloroethynyl)phosphaneN96BrCPC#CClInChI=1S/C3H3BrClP/c4-3-6-2-1-5/h6H,3H2InChIKey=NLRIYIUHQWMZPF-UHFFFAOYSA-N167.6Ex 167.59(BP est) 22.71(MP est) ----(BP exp) ----(MP exp) BrCPC#CCl 22.7PredN
BrC1(Cl)C=CP19574185.385C3H3BrClP2-bromo-2-chloro-1,2-dihydrophospheteN96BrC1(Cl)C=CP1InChI=1S/C3H3BrClP/c4-3(5)1-2-6-3/h1-2,6HInChIKey=GLVLFINXIVFHLF-UHFFFAOYSA-N148.9Ex 148.87(BP est) -14.50(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C=CP1 -14.5PredN
BrC1C(Cl)=CP19575185.385C3H3BrClP2-bromo-3-chloro-1,2-dihydrophospheteN96BrC1C(Cl)=CP1InChI=1S/C3H3BrClP/c4-3-2(5)1-6-3/h1,3,6HInChIKey=GLKWBUKTFYWGSS-UHFFFAOYSA-N156.6Ex 156.62(BP est) -17.93(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)=CP1 -17.9PredN
BrC1C=C(Cl)P19576185.385C3H3BrClP2-bromo-4-chloro-1,2-dihydrophospheteN96BrC1C=C(Cl)P1InChI=1S/C3H3BrClP/c4-2-1-3(5)6-2/h1-2,6HInChIKey=VVDFUIXXHXQKGI-UHFFFAOYSA-N156.6Ex 156.62(BP est) -17.93(MP est) ----(BP exp) ----(MP exp) BrC1C=C(Cl)P1 -17.9PredN
ClC1C(Br)=CP19577185.385C3H3BrClP3-bromo-2-chloro-1,2-dihydrophospheteN96ClC1C(Br)=CP1InChI=1S/C3H3BrClP/c4-2-1-6-3(2)5/h1,3,6HInChIKey=DKXLQQXJHDQZDI-UHFFFAOYSA-N170.2Ex 170.23(BP est) -13.96(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)=CP1 -14PredN
ClC1=C(CP1)Br9578185.385C3H3BrClP3-bromo-4-chloro-1,2-dihydrophospheteN96ClC1=C(CP1)BrInChI=1S/C3H3BrClP/c4-2-1-6-3(2)5/h6H,1H2InChIKey=NABDBJCGWIHVOF-UHFFFAOYSA-N161.0Ex 161.04(BP est) -8.26(MP est) ----(BP exp) ----(MP exp) ClC1=C(CP1)Br -8.3PredN
ClC1C=C(Br)P19579185.385C3H3BrClP4-bromo-2-chloro-1,2-dihydrophospheteN96ClC1C=C(Br)P1InChI=1S/C3H3BrClP/c4-2-1-3(5)6-2/h1,3,6HInChIKey=VCSFRZVROUENPV-UHFFFAOYSA-N170.2Ex 170.23(BP est) -13.96(MP est) ----(BP exp) ----(MP exp) ClC1C=C(Br)P1 -14PredN
BrC1=C(CP1)Cl9580185.385C3H3BrClP4-bromo-3-chloro-1,2-dihydrophospheteN96BrC1=C(CP1)ClInChI=1S/C3H3BrClP/c4-3-2(5)1-6-3/h6H,1H2InChIKey=NIAYCTGEUPMVOQ-UHFFFAOYSA-N161.0Ex 161.04(BP est) -8.26(MP est) ----(BP exp) ----(MP exp) BrC1=C(CP1)Cl -8.3PredN
SC(Br)(Cl)(C#C)9581185.463C3H2BrClS1-bromo-1-chloroprop-2-yne-1-thiolN86SC(Br)(Cl)(C#C)InChI=1S/C3H2BrClS/c1-2-3(4,5)6/h1,6HInChIKey=RWSBCLQFGQUHST-UHFFFAOYSA-N178.3Ex 178.32(BP est) 8.22(MP est) ----(BP exp) ----(MP exp) SC(Br)(Cl)(C#C) 8.2PredN
SC(Br)(C#CCl)9582185.463C3H2BrClS1-bromo-3-chloroprop-2-yne-1-thiolN86SC(Br)(C#CCl)InChI=1S/C3H2BrClS/c4-3(6)1-2-5/h3,6HInChIKey=JPWKDGMJDJLFEI-UHFFFAOYSA-N192.3Ex 192.32(BP est) 21.65(MP est) ----(BP exp) ----(MP exp) SC(Br)(C#CCl) 21.7PredN
BrC(Cl)C1=CS19583185.463C3H2BrClS2-(bromochloromethyl)thiireneN86BrC(Cl)C1=CS1InChI=1S/C3H2BrClS/c4-3(5)2-1-6-2/h1,3HInChIKey=YIGSIRWJJXGICL-UHFFFAOYSA-N186.3Ex 186.31(BP est) 16.58(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1=CS1 16.6PredN
ClC(S1)=C1CBr9584185.463C3H2BrClS2-(bromomethyl)-3-chlorothiireneN86ClC(S1)=C1CBrInChI=1S/C3H2BrClS/c4-1-2-3(5)6-2/h1H2InChIKey=KUTSXRBVMGOKIU-UHFFFAOYSA-N183.9Ex 183.92(BP est) 29.65(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1CBr 29.7PredN
BrC(S1)=C1CCl9585185.463C3H2BrClS2-bromo-3-(chloromethyl)thiireneN86BrC(S1)=C1CClInChI=1S/C3H2BrClS/c4-3-2(1-5)6-3/h1H2InChIKey=TWZJICDMICYQRB-UHFFFAOYSA-N207.6Ex 207.61(BP est) 26.89(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1CCl 26.9PredN
SC(Cl)(C#CBr)9586185.463C3H2BrClS3-bromo-1-chloroprop-2-yne-1-thiolN86SC(Cl)(C#CBr)InChI=1S/C3H2BrClS/c4-2-1-3(5)6/h3,6HInChIKey=SEDCRLPAFXVSIT-UHFFFAOYSA-N205.0Ex 204.96(BP est) 26.57(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C#CBr) 26.6PredN
C=C(Br)Br9590185.846C2H2Br21,1-dibromoetheneN64C=C(Br)BrInChI=1S/C2H2Br2/c1-2(3)4/h1H2InChIKey=IWHJPYXAFGKABF-UHFFFAOYSA-N92.0Ex 123.04(BP est) -49.40(MP est) 92.00(BP exp) ----(MP exp) C=C(Br)Br -49.4PredY(Nightingale et al. 1995)
C(Br)=C(Br)9591185.846C2H2Br21,2-dibromoetheneN64C(Br)=C(Br)InChI=1S/C2H2Br2/c3-1-2-4/h1-2HInChIKey=UWTUEMKLYAGTNQ-UHFFFAOYSA-N111.9Ex 138.02(BP est) -39.71(MP est) 108.00(BP exp) -6.50(MP exp) C(Br)=C(Br) -6.5ExptY(Gribble 2009)
IC(O1)=C1F9592185.924C2FIO2-fluoro-3-iodooxireneN55IC(O1)=C1FInChI=1S/C2FIO/c3-1-2(4)5-1InChIKey=LAMYPCLRMVJTHE-UHFFFAOYSA-N131.2Ex 131.18(BP est) -32.36(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1F -32.4PredN
PC(I)=C9593185.932C2H4IP(1-iodovinyl)phosphaneN84PC(I)=CInChI=1S/C2H4IP/c1-2(3)4/h1,4H2InChIKey=XNYZGLHNHVDKQR-UHFFFAOYSA-N140.2Ex 140.19(BP est) -59.48(MP est) ----(BP exp) ----(MP exp) PC(I)=C -59.5PredN
PC=CI9594185.932C2H4IP(2-iodovinyl)phosphaneN84PC=CIInChI=1S/C2H4IP/c3-1-2-4/h1-2H,4H2InChIKey=DZBSALKGTCZYGX-UHFFFAOYSA-N154.7Ex 154.72(BP est) -49.91(MP est) ----(BP exp) ----(MP exp) PC=CI -49.9PredN
IC1CP19595185.932C2H4IP2-iodophosphiraneN84IC1CP1InChI=1S/C2H4IP/c3-2-1-4-2/h2,4H,1H2InChIKey=ZRDGUOAVBUAGGY-UHFFFAOYSA-N130.4Ex 130.38(BP est) -51.94(MP est) ----(BP exp) ----(MP exp) IC1CP1 -51.9PredN
OC(=O)C(I)9596185.948C2H3IO22-iodoacetic acidN85OC(=O)C(I)InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)InChIKey=JDNTWHVOXJZDSN-UHFFFAOYSA-N208.0Ex 221.28(BP est) 29.63(MP est) ----(BP exp) 82.50(MP exp) OC(=O)C(I) 82.5ExptY(Kladi et al. 2004)
C(C1)(C1(F)I)9597185.968C3H4FI1-fluoro-1-iodocyclopropaneN95C(C1)(C1(F)I)InChI=1S/C3H4FI/c4-3(5)1-2-3/h1-2H2InChIKey=OKVNJBXTPKXGPH-UHFFFAOYSA-N106.8Ex 106.79(BP est) -50.20(MP est) ----(BP exp) ----(MP exp) C(C1)(C1(F)I) -50.2PredN
C(C=C(F)I)9598185.968C3H4FI1-fluoro-1-iodoprop-1-eneN95C(C=C(F)I)InChI=1S/C3H4FI/c1-2-3(4)5/h2H,1H3InChIKey=DKEPSVLMHRNWRG-UHFFFAOYSA-N116.1Ex 116.05(BP est) -77.94(MP est) ----(BP exp) ----(MP exp) C(C=C(F)I) -77.9PredN
C(C1I)(C1F)9599185.968C3H4FI1-fluoro-2-iodocyclopropaneN95C(C1I)(C1F)InChI=1S/C3H4FI/c4-2-1-3(2)5/h2-3H,1H2InChIKey=KVVRGWYBTJIMOE-UHFFFAOYSA-N112.4Ex 112.41(BP est) -62.63(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1F) -62.6PredN
C(C(I)=CF)9600185.968C3H4FI1-fluoro-2-iodoprop-1-eneN95C(C(I)=CF)InChI=1S/C3H4FI/c1-3(5)2-4/h2H,1H3InChIKey=FMABHOSMMIEEGS-UHFFFAOYSA-N116.1Ex 116.05(BP est) -77.94(MP est) ----(BP exp) ----(MP exp) C(C(I)=CF) -77.9PredN
C(I)(C=CF)9601185.968C3H4FI1-fluoro-3-iodoprop-1-eneN95C(I)(C=CF)InChI=1S/C3H4FI/c4-2-1-3-5/h1-2H,3H2InChIKey=FNCINJWMMURWKX-UHFFFAOYSA-N122.4Ex 122.41(BP est) -69.10(MP est) ----(BP exp) ----(MP exp) C(I)(C=CF) -69.1PredN
C(C(F)=CI)9602185.968C3H4FI2-fluoro-1-iodoprop-1-eneN95C(C(F)=CI)InChI=1S/C3H4FI/c1-3(4)2-5/h2H,1H3InChIKey=JITNMBKUHNXCPW-UHFFFAOYSA-N116.1Ex 116.05(BP est) -77.94(MP est) ----(BP exp) ----(MP exp) C(C(F)=CI) -77.9PredN
C(I)(C(F)=C)9603185.968C3H4FI2-fluoro-3-iodoprop-1-eneN95C(I)(C(F)=C)InChI=1S/C3H4FI/c1-3(4)2-5/h1-2H2InChIKey=IEOCBGRKOZRONB-UHFFFAOYSA-N107.0Ex 107.02(BP est) -78.92(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)=C) -78.9PredN
C(F)(C=CI)9604185.968C3H4FI3-fluoro-1-iodoprop-1-eneN95C(F)(C=CI)InChI=1S/C3H4FI/c4-2-1-3-5/h1,3H,2H2InChIKey=WEMJIFDDQINAHQ-UHFFFAOYSA-N122.4Ex 122.41(BP est) -69.10(MP est) ----(BP exp) ----(MP exp) C(F)(C=CI) -69.1PredN
C(F)(C(I)=C)9605185.968C3H4FI3-fluoro-2-iodoprop-1-eneN95C(F)(C(I)=C)InChI=1S/C3H4FI/c1-3(5)2-4/h1-2H2InChIKey=ZYXJGNYNVMYJLW-UHFFFAOYSA-N107.0Ex 107.02(BP est) -78.92(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)=C) -78.9PredN
C(F)(I)(C=C)9606185.968C3H4FI3-fluoro-3-iodoprop-1-eneN95C(F)(I)(C=C)InChI=1S/C3H4FI/c1-2-3(4)5/h2-3H,1H2InChIKey=BVOHZWVTZXPNTC-UHFFFAOYSA-N99.1Ex 99.13(BP est) -81.74(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C=C) -81.7PredN
ICOCC9607185.992C3H7IO(iodomethoxy)ethaneN125ICOCCInChI=1S/C3H7IO/c1-2-5-3-4/h2-3H2,1H3InChIKey=HVGGCSVCKSHOKU-UHFFFAOYSA-N136.9Ex 136.89(BP est) -51.52(MP est) ----(BP exp) ----(MP exp) ICOCC -51.5PredN
COC(C)I9608185.992C3H7IO1-iodo-1-methoxyethaneN125COC(C)IInChI=1S/C3H7IO/c1-3(4)5-2/h3H,1-2H3InChIKey=ZDHMXCUHUAZBOT-UHFFFAOYSA-N123.1Ex 123.10(BP est) -63.04(MP est) ----(BP exp) ----(MP exp) COC(C)I -63PredN
COCCI9609185.992C3H7IO1-iodo-2-methoxyethaneN125COCCIInChI=1S/C3H7IO/c1-5-3-2-4/h2-3H2,1H3InChIKey=SZCAORBAQHOJQI-UHFFFAOYSA-N137.8Ex 136.89(BP est) -51.52(MP est) ----(BP exp) ----(MP exp) COCCI -51.5PredN
OC(I)(CC)9610185.992C3H7IO1-iodopropan-1-olN125OC(I)(CC)InChI=1S/C3H7IO/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=TTZNYZBELLUJAL-UHFFFAOYSA-N175.7Ex 175.68(BP est) -28.40(MP est) ----(BP exp) ----(MP exp) OC(I)(CC) -28.4PredN
OC(C)(CI)9611185.992C3H7IO1-iodopropan-2-olN125OC(C)(CI)InChI=1S/C3H7IO/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=PMHHCLXJMNLEIE-UHFFFAOYSA-N175.7Ex 175.68(BP est) -28.40(MP est) ----(BP exp) ----(MP exp) OC(C)(CI) -28.4PredN
OC(C(I)C)9612185.992C3H7IO2-iodopropan-1-olN125OC(C(I)C)InChI=1S/C3H7IO/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=JDILPOSZNVBMSV-UHFFFAOYSA-N182.4Ex 182.41(BP est) -26.43(MP est) ----(BP exp) ----(MP exp) OC(C(I)C) -26.4PredN
OC(C)(C)I9613185.992C3H7IO2-iodopropan-2-olN125OC(C)(C)IInChI=1S/C3H7IO/c1-3(2,4)5/h5H,1-2H3InChIKey=GTBLLOKMQIALKG-UHFFFAOYSA-N157.2Ex 157.22(BP est) -25.08(MP est) ----(BP exp) ----(MP exp) OC(C)(C)I -25.1PredN
OC(CCI)9614185.992C3H7IO3-iodopropan-1-olN125OC(CCI)InChI=1S/C3H7IO/c4-2-1-3-5/h5H,1-3H2InChIKey=CQVWOJSAGPFDQL-UHFFFAOYSA-N47.0Ex 194.72(BP est) -15.34(MP est) ----(BP exp) ----(MP exp) OC(CCI) -15.3PredN
NNC(I)(C)9615185.996C2H7IN2(1-iodoethyl)hydrazineN125NNC(I)(C)InChI=1S/C2H7IN2/c1-2(3)5-4/h2,5H,4H2,1H3InChIKey=BYBJZWTXAJEMDN-UHFFFAOYSA-N177.8Ex 177.76(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) NNC(I)(C) 4.1PredN
NNC(CI)9616185.996C2H7IN2(2-iodoethyl)hydrazineN125NNC(CI)InChI=1S/C2H7IN2/c3-1-2-5-4/h5H,1-2,4H2InChIKey=KWCYZCBLVCPNKC-UHFFFAOYSA-N190.2Ex 190.19(BP est) 15.26(MP est) ----(BP exp) ----(MP exp) NNC(CI) 15.3PredN
CN(C(I))N9617185.996C2H7IN21-(iodomethyl)-1-methylhydrazineN125CN(C(I))NInChI=1S/C2H7IN2/c1-5(4)2-3/h2,4H2,1H3InChIKey=WSQPXQGIOZOKTM-UHFFFAOYSA-N171.6Ex 171.56(BP est) -0.28(MP est) ----(BP exp) ----(MP exp) CN(C(I))N -0.3PredN
CNNC(I)9618185.996C2H7IN21-(iodomethyl)-2-methylhydrazineN125CNNC(I)InChI=1S/C2H7IN2/c1-4-5-2-3/h4-5H,2H2,1H3InChIKey=LBQYHFYYNYGSHQ-UHFFFAOYSA-N174.0Ex 174.00(BP est) -4.77(MP est) ----(BP exp) ----(MP exp) CNNC(I) -4.8PredN
IC1CS19619186.01C2H3IS2-iodothiiraneN74IC1CS1InChI=1S/C2H3IS/c3-2-1-4-2/h2H,1H2InChIKey=ZCUXEUOYGUDBMT-UHFFFAOYSA-N156.6Ex 156.61(BP est) -14.81(MP est) ----(BP exp) ----(MP exp) IC1CS1 -14.8PredN
ClC#CI9622186.376C2ClI1-chloro-2-iodoethyneN44ClC#CIInChI=1S/C2ClI/c3-1-2-4InChIKey=YMWVJNOXQNLIJQ-UHFFFAOYSA-N141.1Ex 141.05(BP est) 0.96(MP est) ----(BP exp) ----(MP exp) ClC#CI 1PredN
FC1(I)CN19626186.956C2H3FIN2-fluoro-2-iodoaziridineN85FC1(I)CN1InChI=1S/C2H3FIN/c3-2(4)1-5-2/h5H,1H2InChIKey=NJURSHMDWUYCMO-UHFFFAOYSA-N143.9Ex 143.94(BP est) 7.52(MP est) ----(BP exp) ----(MP exp) FC1(I)CN1 7.5PredN
IC1C(F)N19627186.956C2H3FIN2-fluoro-3-iodoaziridineN85IC1C(F)N1InChI=1S/C2H3FIN/c3-1-2(4)5-1/h1-2,5HInChIKey=WODCVCJIKWNVQG-UHFFFAOYSA-N149.2Ex 149.22(BP est) -5.00(MP est) ----(BP exp) ----(MP exp) IC1C(F)N1 -5PredN
NCOC(I)9628186.98C2H6INO(iodomethoxy)methanamineN115NCOC(I)InChI=1S/C2H6INO/c3-1-5-2-4/h1-2,4H2InChIKey=PCLGGKMLHBYZNQ-UHFFFAOYSA-N173.0Ex 172.97(BP est) -4.99(MP est) ----(BP exp) ----(MP exp) NCOC(I) -5PredN
NCC(O)(I)9629186.98C2H6INO2-amino-1-iodoethan-1-olN115NCC(O)(I)InChI=1S/C2H6INO/c3-2(5)1-4/h2,5H,1,4H2InChIKey=ADQJCOVJBNJPHX-UHFFFAOYSA-N209.1Ex 209.10(BP est) 17.36(MP est) ----(BP exp) ----(MP exp) NCC(O)(I) 17.4PredN
NC(I)C(O)9630186.98C2H6INO2-amino-2-iodoethan-1-olN115NC(I)C(O)InChI=1S/C2H6INO/c3-2(4)1-5/h2,5H,1,4H2InChIKey=HTZBJVYFPATXMK-UHFFFAOYSA-N215.4Ex 215.36(BP est) 19.18(MP est) ----(BP exp) ----(MP exp) NC(I)C(O) 19.2PredN
NC(I)OC9631186.98C2H6INOiodo(methoxy)methanamineN115NC(I)OCInChI=1S/C2H6INO/c1-5-2(3)4/h2H,4H2,1H3InChIKey=JDSNDNJSJWVAHW-UHFFFAOYSA-N160.1Ex 160.09(BP est) -16.25(MP est) ----(BP exp) ----(MP exp) NC(I)OC -16.3PredN
IC(C)NO9632186.98C2H6INON-(1-iodoethyl)hydroxylamineN115IC(C)NOInChI=1S/C2H6INO/c1-2(3)4-5/h2,4-5H,1H3InChIKey=HFLJDFSAKCEFSU-UHFFFAOYSA-N214.5Ex 214.46(BP est) 3.62(MP est) ----(BP exp) ----(MP exp) IC(C)NO 3.6PredN
ICN(O)C9633186.98C2H6INON-(iodomethyl)-N-methylhydroxylamineN115ICN(O)CInChI=1S/C2H6INO/c1-4(5)2-3/h5H,2H2,1H3InChIKey=MIRIWUVVWYNOGN-UHFFFAOYSA-N267.6Ex 267.64(BP est) 39.63(MP est) ----(BP exp) ----(MP exp) ICN(O)C 39.6PredN
ICNOC9634186.98C2H6INON-(iodomethyl)-O-methylhydroxylamineN115ICNOCInChI=1S/C2H6INO/c1-5-4-2-3/h4H,2H2,1H3InChIKey=HLBUYCLJHAEXNT-UHFFFAOYSA-N156.2Ex 156.19(BP est) -25.19(MP est) ----(BP exp) ----(MP exp) ICNOC -25.2PredN
NOC(C)I9635186.98C2H6INOO-(1-iodoethyl)hydroxylamineN115NOC(C)IInChI=1S/C2H6INO/c1-2(3)5-4/h2H,4H2,1H3InChIKey=VYPYTHNQIBEQCC-UHFFFAOYSA-N160.1Ex 160.09(BP est) -16.25(MP est) ----(BP exp) ----(MP exp) NOC(C)I -16.3PredN
NOCCI9636186.98C2H6INOO-(2-iodoethyl)hydroxylamineN115NOCCIInChI=1S/C2H6INO/c3-1-2-5-4/h1-2,4H2InChIKey=ACCGVJSHBAJVJN-UHFFFAOYSA-N173.0Ex 172.97(BP est) -4.99(MP est) ----(BP exp) ----(MP exp) NOCCI -5PredN
CNOCI9637186.98C2H6INOO-(iodomethyl)-N-methylhydroxylamineN115CNOCIInChI=1S/C2H6INO/c1-4-5-2-3/h4H,2H2,1H3InChIKey=MLAFGYMFBIHLBN-UHFFFAOYSA-N156.2Ex 156.19(BP est) -25.19(MP est) ----(BP exp) ----(MP exp) CNOCI -25.2PredN
CSCSC(Br)9638187.113C3H7BrS2(bromomethyl)((methylthio)methyl)sulfaneN136CSCSC(Br)InChI=1S/C3H7BrS2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=YLXOBLRRPGBAND-UHFFFAOYSA-N205.2Ex 205.21(BP est) -7.42(MP est) ----(BP exp) ----(MP exp) CSCSC(Br) -7.4PredN
CSC(Br)SC9639187.113C3H7BrS2(bromomethylene)bis(methylsulfane)N136CSC(Br)SCInChI=1S/C3H7BrS2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=DTOBDUBOASILDJ-UHFFFAOYSA-N193.2Ex 193.18(BP est) -18.43(MP est) ----(BP exp) ----(MP exp) CSC(Br)SC -18.4PredN
CSSC(Br)(C)9640187.113C3H7BrS21-(1-bromoethyl)-2-methyldisulfaneN136CSSC(Br)(C)InChI=1S/C3H7BrS2/c1-3(4)6-5-2/h3H,1-2H3InChIKey=DLXOMGWTRJFTPQ-UHFFFAOYSA-N193.2Ex 193.18(BP est) -18.43(MP est) ----(BP exp) ----(MP exp) CSSC(Br)(C) -18.4PredN
CSSC(CBr)9641187.113C3H7BrS21-(2-bromoethyl)-2-methyldisulfaneN136CSSC(CBr)InChI=1S/C3H7BrS2/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=DUGKUYXJELYNFO-UHFFFAOYSA-N205.2Ex 205.21(BP est) -7.42(MP est) ----(BP exp) ----(MP exp) CSSC(CBr) -7.4PredN
C(Br)SSC(C)9642187.113C3H7BrS21-(bromomethyl)-2-ethyldisulfaneN136C(Br)SSC(C)InChI=1S/C3H7BrS2/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=HAQGLZMTKOSYOE-UHFFFAOYSA-N205.2Ex 205.21(BP est) -7.42(MP est) ----(BP exp) ----(MP exp) C(Br)SSC(C) -7.4PredN
O=PC(Br)=CCl9644187.357C2HBrClOP(1-bromo-2-chlorovinyl)(oxo)phosphaneN76O=PC(Br)=CClInChI=1S/C2HBrClOP/c3-2(1-4)6-5/h1HInChIKey=MSIJLJZUSLKWLS-UHFFFAOYSA-N191.7Ex 191.66(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=CCl -12.8PredN
O=PC(Cl)=CBr9645187.357C2HBrClOP(2-bromo-1-chlorovinyl)(oxo)phosphaneN76O=PC(Cl)=CBrInChI=1S/C2HBrClOP/c3-1-2(4)6-5/h1HInChIKey=PEELYMBYMIWRBD-UHFFFAOYSA-N191.7Ex 191.66(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CBr -12.8PredN
O=PC=C(Br)Cl9646187.357C2HBrClOP(2-bromo-2-chlorovinyl)(oxo)phosphaneN76O=PC=C(Br)ClInChI=1S/C2HBrClOP/c3-2(4)1-6-5/h1HInChIKey=MUADEKPSNQDCMR-UHFFFAOYSA-N191.7Ex 191.66(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) O=PC=C(Br)Cl -12.8PredN
BrC(C=C)(P)Cl9647187.401C3H5BrClP(1-bromo-1-chloroallyl)phosphaneN116BrC(C=C)(P)ClInChI=1S/C3H5BrClP/c1-2-3(4,5)6/h2H,1,6H2InChIKey=KZBSNANVLDPUOY-UHFFFAOYSA-N149.1Ex 149.12(BP est) -27.21(MP est) ----(BP exp) ----(MP exp) BrC(C=C)(P)Cl -27.2PredN
BrC(P)C(Cl)=C9648187.401C3H5BrClP(1-bromo-2-chloroallyl)phosphaneN116BrC(P)C(Cl)=CInChI=1S/C3H5BrClP/c1-2(5)3(4)6/h3H,1,6H2InChIKey=FSWUDBGSLNSYEM-UHFFFAOYSA-N149.9Ex 149.89(BP est) -42.68(MP est) ----(BP exp) ----(MP exp) BrC(P)C(Cl)=C -42.7PredN
CPC(Br)=CCl9649187.401C3H5BrClP(1-bromo-2-chlorovinyl)(methyl)phosphaneN116CPC(Br)=CClInChI=1S/C3H5BrClP/c1-6-3(4)2-5/h2,6H,1H3InChIKey=SJRJRCUJLDOCPV-UHFFFAOYSA-N152.7Ex 152.67(BP est) -44.21(MP est) ----(BP exp) ----(MP exp) CPC(Br)=CCl -44.2PredN
PC(Br)C=CCl9650187.401C3H5BrClP(1-bromo-3-chloroallyl)phosphaneN116PC(Br)C=CClInChI=1S/C3H5BrClP/c4-3(6)1-2-5/h1-3H,6H2InChIKey=JQBYMKYWCZFPKS-UHFFFAOYSA-N164.2Ex 164.17(BP est) -33.19(MP est) ----(BP exp) ----(MP exp) PC(Br)C=CCl -33.2PredN
ClCPC(Br)=C9651187.401C3H5BrClP(1-bromovinyl)(chloromethyl)phosphaneN116ClCPC(Br)=CInChI=1S/C3H5BrClP/c1-3(4)6-2-5/h6H,1-2H2InChIKey=HYAKQTBEJRVAJP-UHFFFAOYSA-N169.9Ex 169.86(BP est) -37.53(MP est) ----(BP exp) ----(MP exp) ClCPC(Br)=C -37.5PredN
PC(Cl)C(Br)=C9652187.401C3H5BrClP(2-bromo-1-chloroallyl)phosphaneN116PC(Cl)C(Br)=CInChI=1S/C3H5BrClP/c1-2(4)3(5)6/h3H,1,6H2InChIKey=MHXHOGUGCYDLEV-UHFFFAOYSA-N163.7Ex 163.68(BP est) -38.66(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(Br)=C -38.7PredN
ClC1(P)CC1Br9653187.401C3H5BrClP(2-bromo-1-chlorocyclopropyl)phosphaneN116ClC1(P)CC1BrInChI=1S/C3H5BrClP/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=WMRBJGUGCPYVAM-UHFFFAOYSA-N158.5Ex 158.47(BP est) -6.02(MP est) ----(BP exp) ----(MP exp) ClC1(P)CC1Br -6PredN
CPC(Cl)=CBr9654187.401C3H5BrClP(2-bromo-1-chlorovinyl)(methyl)phosphaneN116CPC(Cl)=CBrInChI=1S/C3H5BrClP/c1-6-3(5)2-4/h2,6H,1H3InChIKey=UQJGQXLKNDABJL-UHFFFAOYSA-N152.7Ex 152.67(BP est) -44.21(MP est) ----(BP exp) ----(MP exp) CPC(Cl)=CBr -44.2PredN
BrC1(Cl)C(P)C19655187.401C3H5BrClP(2-bromo-2-chlorocyclopropyl)phosphaneN116BrC1(Cl)C(P)C1InChI=1S/C3H5BrClP/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=ROIMREGXDVUJGA-UHFFFAOYSA-N158.5Ex 158.47(BP est) -6.02(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C(P)C1 -6PredN
CPC=C(Br)Cl9656187.401C3H5BrClP(2-bromo-2-chlorovinyl)(methyl)phosphaneN116CPC=C(Br)ClInChI=1S/C3H5BrClP/c1-6-2-3(4)5/h2,6H,1H3InChIKey=CRRHQDIAHKOQBI-UHFFFAOYSA-N152.7Ex 152.67(BP est) -44.21(MP est) ----(BP exp) ----(MP exp) CPC=C(Br)Cl -44.2PredN
PCC(Br)=CCl9657187.401C3H5BrClP(2-bromo-3-chloroallyl)phosphaneN116PCC(Br)=CClInChI=1S/C3H5BrClP/c4-3(1-5)2-6/h1H,2,6H2InChIKey=ZTNMFUSLKAJNFS-UHFFFAOYSA-N171.2Ex 171.20(BP est) -30.62(MP est) ----(BP exp) ----(MP exp) PCC(Br)=CCl -30.6PredN
ClCPC=CBr9658187.401C3H5BrClP(2-bromovinyl)(chloromethyl)phosphaneN116ClCPC=CBrInChI=1S/C3H5BrClP/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=OFHXPFQULIBSHP-UHFFFAOYSA-N183.6Ex 183.59(BP est) -28.21(MP est) ----(BP exp) ----(MP exp) ClCPC=CBr -28.2PredN
PC(Cl)C=CBr9659187.401C3H5BrClP(3-bromo-1-chloroallyl)phosphaneN116PC(Cl)C=CBrInChI=1S/C3H5BrClP/c4-2-1-3(5)6/h1-3H,6H2InChIKey=LLPUJVQTRYXHOO-UHFFFAOYSA-N177.6Ex 177.58(BP est) -29.28(MP est) ----(BP exp) ----(MP exp) PC(Cl)C=CBr -29.3PredN
PCC(Cl)=CBr9660187.401C3H5BrClP(3-bromo-2-chloroallyl)phosphaneN116PCC(Cl)=CBrInChI=1S/C3H5BrClP/c4-1-3(5)2-6/h1H,2,6H2InChIKey=LQPZJDBPTZTKHA-UHFFFAOYSA-N171.2Ex 171.20(BP est) -30.62(MP est) ----(BP exp) ----(MP exp) PCC(Cl)=CBr -30.6PredN
PCC=C(Br)Cl9661187.401C3H5BrClP(3-bromo-3-chloroallyl)phosphaneN116PCC=C(Br)ClInChI=1S/C3H5BrClP/c4-3(5)1-2-6/h1H,2,6H2InChIKey=QWTWITXXOHUVQW-UHFFFAOYSA-N171.2Ex 171.20(BP est) -30.62(MP est) ----(BP exp) ----(MP exp) PCC=C(Br)Cl -30.6PredN
BrC(PC=C)Cl9662187.401C3H5BrClP(bromochloromethyl)(vinyl)phosphaneN116BrC(PC=C)ClInChI=1S/C3H5BrClP/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=GEYLKAACRSRPQV-UHFFFAOYSA-N150.9Ex 150.92(BP est) -43.59(MP est) ----(BP exp) ----(MP exp) BrC(PC=C)Cl -43.6PredN
BrCPC(Cl)=C9663187.401C3H5BrClP(bromomethyl)(1-chlorovinyl)phosphaneN116BrCPC(Cl)=CInChI=1S/C3H5BrClP/c1-3(5)6-2-4/h6H,1-2H2InChIKey=KKLXYZRMBCKCPR-UHFFFAOYSA-N144.2Ex 144.20(BP est) -45.03(MP est) ----(BP exp) ----(MP exp) BrCPC(Cl)=C -45PredN
BrCPC=CCl9664187.401C3H5BrClP(bromomethyl)(2-chlorovinyl)phosphaneN116BrCPC=CClInChI=1S/C3H5BrClP/c4-3-6-2-1-5/h1-2,6H,3H2InChIKey=RFASBJVZRNTURT-UHFFFAOYSA-N158.6Ex 158.63(BP est) -35.49(MP est) ----(BP exp) ----(MP exp) BrCPC=CCl -35.5PredN
BrC(P1CC1)Cl9665187.401C3H5BrClP1-(bromochloromethyl)phosphiraneN116BrC(P1CC1)ClInChI=1S/C3H5BrClP/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=VNWDUVBDAFVYIN-UHFFFAOYSA-N161.5Ex 161.45(BP est) -27.46(MP est) ----(BP exp) ----(MP exp) BrC(P1CC1)Cl -27.5PredN
BrCP1C(Cl)C19666187.401C3H5BrClP1-(bromomethyl)-2-chlorophosphiraneN116BrCP1C(Cl)C1InChI=1S/C3H5BrClP/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=MQALNTGOYDEKHU-UHFFFAOYSA-N168.2Ex 168.17(BP est) -20.12(MP est) ----(BP exp) ----(MP exp) BrCP1C(Cl)C1 -20.1PredN
ClCP1C(Br)C19667187.401C3H5BrClP2-bromo-1-(chloromethyl)phosphiraneN116ClCP1C(Br)C1InChI=1S/C3H5BrClP/c4-3-1-6(3)2-5/h3H,1-2H2InChIKey=SXUIEEBOCWFOAO-UHFFFAOYSA-N179.7Ex 179.66(BP est) -16.77(MP est) ----(BP exp) ----(MP exp) ClCP1C(Br)C1 -16.8PredN
CP1C(Cl)(Br)C19668187.401C3H5BrClP2-bromo-2-chloro-1-methylphosphiraneN116CP1C(Cl)(Br)C1InChI=1S/C3H5BrClP/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=MWPFWYDRHDCTFF-UHFFFAOYSA-N144.8Ex 144.81(BP est) -14.99(MP est) ----(BP exp) ----(MP exp) CP1C(Cl)(Br)C1 -15PredN
BrC1(Cl)CCP19669187.401C3H5BrClP2-bromo-2-chlorophosphetaneN116BrC1(Cl)CCP1InChI=1S/C3H5BrClP/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=DEDFVKDCLNFTRY-UHFFFAOYSA-N146.0Ex 145.96(BP est) -15.73(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CCP1 -15.7PredN
CP1C(Br)C1Cl9670187.401C3H5BrClP2-bromo-3-chloro-1-methylphosphiraneN116CP1C(Br)C1ClInChI=1S/C3H5BrClP/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=SFSDQHFQJXBFLW-UHFFFAOYSA-N162.0Ex 161.95(BP est) -24.06(MP est) ----(BP exp) ----(MP exp) CP1C(Br)C1Cl -24.1PredN
BrC1C(Cl)CP19671187.401C3H5BrClP2-bromo-3-chlorophosphetaneN116BrC1C(Cl)CP1InChI=1S/C3H5BrClP/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=WRABMTCZLGTWNR-UHFFFAOYSA-N163.1Ex 163.06(BP est) -24.81(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)CP1 -24.8PredN
ClC1CC(Br)P19672187.401C3H5BrClP2-bromo-4-chlorophosphetaneN116ClC1CC(Br)P1InChI=1S/C3H5BrClP/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=KDFLIMOWQXSVRA-UHFFFAOYSA-N163.1Ex 163.06(BP est) -24.81(MP est) ----(BP exp) ----(MP exp) ClC1CC(Br)P1 -24.8PredN
ClC1C(Br)CP19673187.401C3H5BrClP3-bromo-2-chlorophosphetaneN116ClC1C(Br)CP1InChI=1S/C3H5BrClP/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=BOZHHSPHHYZXHU-UHFFFAOYSA-N163.1Ex 163.06(BP est) -24.81(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)CP1 -24.8PredN
BrC1(Cl)CPC19674187.401C3H5BrClP3-bromo-3-chlorophosphetaneN116BrC1(Cl)CPC1InChI=1S/C3H5BrClP/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=MXCHPLBSUSGVGO-UHFFFAOYSA-N146.0Ex 145.96(BP est) -15.73(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CPC1 -15.7PredN
CSC(Br)=C(Cl)9675187.479C3H4BrClS(1-bromo-2-chlorovinyl)(methyl)sulfaneN106CSC(Br)=C(Cl)InChI=1S/C3H4BrClS/c1-6-3(4)2-5/h2H,1H3InChIKey=VAABMCPTRPZHMY-UHFFFAOYSA-N178.2Ex 178.21(BP est) -27.06(MP est) ----(BP exp) ----(MP exp) CSC(Br)=C(Cl) -27.1PredN
C(Cl)SC(Br)=C9676187.479C3H4BrClS(1-bromovinyl)(chloromethyl)sulfaneN106C(Cl)SC(Br)=CInChI=1S/C3H4BrClS/c1-3(4)6-2-5/h1-2H2InChIKey=ZRMRSPHFIXIHNW-UHFFFAOYSA-N194.5Ex 194.54(BP est) -20.63(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Br)=C -20.6PredN
CSC(Cl)=C(Br)9677187.479C3H4BrClS(2-bromo-1-chlorovinyl)(methyl)sulfaneN106CSC(Cl)=C(Br)InChI=1S/C3H4BrClS/c1-6-3(5)2-4/h2H,1H3InChIKey=FXLGWKTWHWMFCD-UHFFFAOYSA-N178.2Ex 178.21(BP est) -27.06(MP est) ----(BP exp) ----(MP exp) CSC(Cl)=C(Br) -27.1PredN
CSC=C(Br)(Cl)9678187.479C3H4BrClS(2-bromo-2-chlorovinyl)(methyl)sulfaneN106CSC=C(Br)(Cl)InChI=1S/C3H4BrClS/c1-6-2-3(4)5/h2H,1H3InChIKey=JDDFPZSVKOQYMO-UHFFFAOYSA-N178.2Ex 178.21(BP est) -27.06(MP est) ----(BP exp) ----(MP exp) CSC=C(Br)(Cl) -27.1PredN
C(Cl)SC=C(Br)9679187.479C3H4BrClS(2-bromovinyl)(chloromethyl)sulfaneN106C(Cl)SC=C(Br)InChI=1S/C3H4BrClS/c4-1-2-6-3-5/h1-2H,3H2InChIKey=MWJOAHUQKAOGCT-UHFFFAOYSA-N207.6Ex 207.56(BP est) -11.51(MP est) ----(BP exp) ----(MP exp) C(Cl)SC=C(Br) -11.5PredN
C(Br)(Cl)SC=C9680187.479C3H4BrClS(bromochloromethyl)(vinyl)sulfaneN106C(Br)(Cl)SC=CInChI=1S/C3H4BrClS/c1-2-6-3(4)5/h2-3H,1H2InChIKey=SWXPYQXQNIXRTR-UHFFFAOYSA-N176.5Ex 176.54(BP est) -26.40(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)SC=C -26.4PredN
C(Br)SC(Cl)=C9681187.479C3H4BrClS(bromomethyl)(1-chlorovinyl)sulfaneN106C(Br)SC(Cl)=CInChI=1S/C3H4BrClS/c1-3(5)6-2-4/h1-2H2InChIKey=IIXIHVZOEJHLGG-UHFFFAOYSA-N170.2Ex 170.15(BP est) -27.75(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Cl)=C -27.8PredN
C(Br)SC=C(Cl)9682187.479C3H4BrClS(bromomethyl)(2-chlorovinyl)sulfaneN106C(Br)SC=C(Cl)InChI=1S/C3H4BrClS/c4-3-6-2-1-5/h1-2H,3H2InChIKey=DSXIWSFPZSEARN-UHFFFAOYSA-N183.9Ex 183.87(BP est) -18.42(MP est) ----(BP exp) ----(MP exp) C(Br)SC=C(Cl) -18.4PredN
SC(Br)(Cl)(C=C)9683187.479C3H4BrClS1-bromo-1-chloroprop-2-ene-1-thiolN106SC(Br)(Cl)(C=C)InChI=1S/C3H4BrClS/c1-2-3(4,5)6/h2,6H,1H2InChIKey=FEBPSJAGIRHMPB-UHFFFAOYSA-N169.4Ex 169.35(BP est) -18.76(MP est) ----(BP exp) ----(MP exp) SC(Br)(Cl)(C=C) -18.8PredN
SC(Br)(C1)(C1Cl)9684187.479C3H4BrClS1-bromo-2-chlorocyclopropane-1-thiolN106SC(Br)(C1)(C1Cl)InChI=1S/C3H4BrClS/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=LEUVGCCWNCBYSJ-UHFFFAOYSA-N189.6Ex 189.56(BP est) 5.61(MP est) ----(BP exp) ----(MP exp) SC(Br)(C1)(C1Cl) 5.6PredN
SC(Br)(C(Cl)=C)9685187.479C3H4BrClS1-bromo-2-chloroprop-2-ene-1-thiolN106SC(Br)(C(Cl)=C)InChI=1S/C3H4BrClS/c1-2(5)3(4)6/h3,6H,1H2InChIKey=RSBYIBIPPPQBCE-UHFFFAOYSA-N170.1Ex 170.09(BP est) -34.24(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(Cl)=C) -34.2PredN
SC(Br)(C=CCl)9686187.479C3H4BrClS1-bromo-3-chloroprop-2-ene-1-thiolN106SC(Br)(C=CCl)InChI=1S/C3H4BrClS/c4-3(6)1-2-5/h1-3,6HInChIKey=XWFVYTVAMOMPIU-UHFFFAOYSA-N183.8Ex 183.81(BP est) -24.91(MP est) ----(BP exp) ----(MP exp) SC(Br)(C=CCl) -24.9PredN
BrC(Cl)C1CS19687187.479C3H4BrClS2-(bromochloromethyl)thiiraneN106BrC(Cl)C1CS1InChI=1S/C3H4BrClS/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=MLKYWRMGVAUYRS-UHFFFAOYSA-N179.4Ex 179.38(BP est) 5.80(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1CS1 5.8PredN
ClC1(CBr)CS19688187.479C3H4BrClS2-(bromomethyl)-2-chlorothiiraneN106ClC1(CBr)CS1InChI=1S/C3H4BrClS/c4-1-3(5)2-6-3/h1-2H2InChIKey=GPCDRLBJILSNKU-UHFFFAOYSA-N169.5Ex 169.51(BP est) 22.37(MP est) ----(BP exp) ----(MP exp) ClC1(CBr)CS1 22.4PredN
ClC1C(CBr)S19689187.479C3H4BrClS2-(bromomethyl)-3-chlorothiiraneN106ClC1C(CBr)S1InChI=1S/C3H4BrClS/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=BHQLCGPIEZNESL-UHFFFAOYSA-N185.9Ex 185.85(BP est) 13.07(MP est) ----(BP exp) ----(MP exp) ClC1C(CBr)S1 13.1PredN
SC(Cl)(C1)(C1Br)9690187.479C3H4BrClS2-bromo-1-chlorocyclopropane-1-thiolN106SC(Cl)(C1)(C1Br)InChI=1S/C3H4BrClS/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=HGFZBLIOOTXDGZ-UHFFFAOYSA-N178.3Ex 178.34(BP est) 2.33(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C1)(C1Br) 2.3PredN
SC(Cl)(C(Br)=C)9691187.479C3H4BrClS2-bromo-1-chloroprop-2-ene-1-thiolN106SC(Cl)(C(Br)=C)InChI=1S/C3H4BrClS/c1-2(4)3(5)6/h3,6H,1H2InChIKey=APUNMPBOLWRMAD-UHFFFAOYSA-N183.3Ex 183.34(BP est) -30.37(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(Br)=C) -30.4PredN
BrC1(CCl)CS19692187.479C3H4BrClS2-bromo-2-(chloromethyl)thiiraneN106BrC1(CCl)CS1InChI=1S/C3H4BrClS/c4-3(1-5)2-6-3/h1-2H2InChIKey=ARSZKLDWIIHXPD-UHFFFAOYSA-N192.1Ex 192.14(BP est) 28.97(MP est) ----(BP exp) ----(MP exp) BrC1(CCl)CS1 29PredN
BrC1(Cl)C(C)S19693187.479C3H4BrClS2-bromo-2-chloro-3-methylthiiraneN106BrC1(Cl)C(C)S1InChI=1S/C3H4BrClS/c1-2-3(4,5)6-2/h2H,1H3InChIKey=BMZNFXWAJKMCBY-UHFFFAOYSA-N163.3Ex 163.31(BP est) 18.44(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C(C)S1 18.4PredN
SC(C1)(C1(Br)Cl)9694187.479C3H4BrClS2-bromo-2-chlorocyclopropane-1-thiolN106SC(C1)(C1(Br)Cl)InChI=1S/C3H4BrClS/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=PDZLKTWXZVVBOF-UHFFFAOYSA-N178.3Ex 178.34(BP est) 2.33(MP est) ----(BP exp) ----(MP exp) SC(C1)(C1(Br)Cl) 2.3PredN
BrC1(Cl)SCC19695187.479C3H4BrClS2-bromo-2-chlorothietaneN106BrC1(Cl)SCC1InChI=1S/C3H4BrClS/c4-3(5)1-2-6-3/h1-2H2InChIKey=TYSCWLHCGINHIJ-UHFFFAOYSA-N171.5Ex 171.45(BP est) 21.18(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)SCC1 21.2PredN
BrC1C(CCl)S19696187.479C3H4BrClS2-bromo-3-(chloromethyl)thiiraneN106BrC1C(CCl)S1InChI=1S/C3H4BrClS/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=SRCQAZHCLIBTNY-UHFFFAOYSA-N196.9Ex 196.93(BP est) 16.30(MP est) ----(BP exp) ----(MP exp) BrC1C(CCl)S1 16.3PredN
ClC1C(Br)(C)S19697187.479C3H4BrClS2-bromo-3-chloro-2-methylthiiraneN106ClC1C(Br)(C)S1InChI=1S/C3H4BrClS/c1-3(4)2(5)6-3/h2H,1H3InChIKey=SGTMXVANSISILJ-UHFFFAOYSA-N174.9Ex 174.89(BP est) 21.82(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(C)S1 21.8PredN
SC(C1Cl)(C1Br)9698187.479C3H4BrClS2-bromo-3-chlorocyclopropane-1-thiolN106SC(C1Cl)(C1Br)InChI=1S/C3H4BrClS/c4-1-2(5)3(1)6/h1-3,6HInChIKey=CDYBTYMEENCDAD-UHFFFAOYSA-N194.4Ex 194.38(BP est) -7.06(MP est) ----(BP exp) ----(MP exp) SC(C1Cl)(C1Br) -7.1PredN
SC(C(Br)=CCl)9699187.479C3H4BrClS2-bromo-3-chloroprop-2-ene-1-thiolN106SC(C(Br)=CCl)InChI=1S/C3H4BrClS/c4-3(1-5)2-6/h1,6H,2H2InChIKey=OVRLXNZBESKFAW-UHFFFAOYSA-N190.6Ex 190.57(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) SC(C(Br)=CCl) -22.4PredN
BrC1SCC1Cl9700187.479C3H4BrClS2-bromo-3-chlorothietaneN106BrC1SCC1ClInChI=1S/C3H4BrClS/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=PRZANMQFKYYZQM-UHFFFAOYSA-N187.7Ex 187.73(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) BrC1SCC1Cl 11.9PredN
ClC1CC(Br)S19701187.479C3H4BrClS2-bromo-4-chlorothietaneN106ClC1CC(Br)S1InChI=1S/C3H4BrClS/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=WBEIDXYILPMVRM-UHFFFAOYSA-N187.7Ex 187.73(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) ClC1CC(Br)S1 11.9PredN
SC(Cl)(C=CBr)9702187.479C3H4BrClS3-bromo-1-chloroprop-2-ene-1-thiolN106SC(Cl)(C=CBr)InChI=1S/C3H4BrClS/c4-2-1-3(5)6/h1-3,6HInChIKey=XAVVMKFMFZSRSZ-UHFFFAOYSA-N196.7Ex 196.69(BP est) -21.15(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C=CBr) -21.2PredN
BrC1C(Cl)(C)S19703187.479C3H4BrClS3-bromo-2-chloro-2-methylthiiraneN106BrC1C(Cl)(C)S1InChI=1S/C3H4BrClS/c1-3(5)2(4)6-3/h2H,1H3InChIKey=BQGRZARSGSYRRH-UHFFFAOYSA-N163.3Ex 163.31(BP est) 18.44(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(C)S1 18.4PredN
SC(C(Cl)=CBr)9704187.479C3H4BrClS3-bromo-2-chloroprop-2-ene-1-thiolN106SC(C(Cl)=CBr)InChI=1S/C3H4BrClS/c4-1-3(5)2-6/h1,6H,2H2InChIKey=LENNIXUUFSZJTB-UHFFFAOYSA-N190.6Ex 190.57(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)=CBr) -22.4PredN
ClC1SCC1Br9705187.479C3H4BrClS3-bromo-2-chlorothietaneN106ClC1SCC1BrInChI=1S/C3H4BrClS/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=KOSHQZZACFQYIM-UHFFFAOYSA-N187.7Ex 187.73(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) ClC1SCC1Br 11.9PredN
SC(C=C(Br)Cl)9706187.479C3H4BrClS3-bromo-3-chloroprop-2-ene-1-thiolN106SC(C=C(Br)Cl)InChI=1S/C3H4BrClS/c4-3(5)1-2-6/h1,6H,2H2InChIKey=WMRVACLASGRIPH-UHFFFAOYSA-N190.6Ex 190.57(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) SC(C=C(Br)Cl) -22.4PredN
BrC1(Cl)CSC19707187.479C3H4BrClS3-bromo-3-chlorothietaneN106BrC1(Cl)CSC1InChI=1S/C3H4BrClS/c4-3(5)1-6-2-3/h1-2H2InChIKey=XQSYIJKPUGDGSW-UHFFFAOYSA-N171.5Ex 171.45(BP est) 21.18(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CSC1 21.2PredN
ClC(C1Cl)=C1Br9709187.845C3HBrCl21-bromo-2,3-dichlorocycloprop-1-eneN76ClC(C1Cl)=C1BrInChI=1S/C3HBrCl2/c4-1-2(5)3(1)6/h2HInChIKey=RGYSUZRZRGYLJW-UHFFFAOYSA-N164.7Ex 164.68(BP est) -1.86(MP est) ----(BP exp) ----(MP exp) ClC(C1Cl)=C1Br -1.9PredN
BrC1=CC1(Cl)Cl9710187.845C3HBrCl21-bromo-3,3-dichlorocycloprop-1-eneN76BrC1=CC1(Cl)ClInChI=1S/C3HBrCl2/c4-2-1-3(2,5)6/h1HInChIKey=NBVPTYKCPGEGRL-UHFFFAOYSA-N145.1Ex 145.07(BP est) -1.89(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(Cl)Cl -1.9PredN
C(Cl)(Cl)(C#CBr)9711187.845C3HBrCl21-bromo-3,3-dichloroprop-1-yneN76C(Cl)(Cl)(C#CBr)InChI=1S/C3HBrCl2/c4-2-1-3(5)6/h3HInChIKey=HNWPXQPBMAWAPA-UHFFFAOYSA-N177.9Ex 177.91(BP est) 25.68(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C#CBr) 25.7PredN
ClC(C1Br)=C1Cl9712187.845C3HBrCl23-bromo-1,2-dichlorocycloprop-1-eneN76ClC(C1Br)=C1ClInChI=1S/C3HBrCl2/c4-1-2(5)3(1)6/h1HInChIKey=ZZUNAGLEBCGVQN-UHFFFAOYSA-N150.9Ex 150.92(BP est) -5.88(MP est) ----(BP exp) ----(MP exp) ClC(C1Br)=C1Cl -5.9PredN
ClC1=CC1(Cl)Br9713187.845C3HBrCl23-bromo-1,3-dichlorocycloprop-1-eneN76ClC1=CC1(Cl)BrInChI=1S/C3HBrCl2/c4-3(6)1-2(3)5/h1HInChIKey=VRRONNGVKJOGPW-UHFFFAOYSA-N143.1Ex 143.09(BP est) -2.47(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(Cl)Br -2.5PredN
C(Br)(Cl)(C#CCl)9714187.845C3HBrCl23-bromo-1,3-dichloroprop-1-yneN76C(Br)(Cl)(C#CCl)InChI=1S/C3HBrCl2/c4-3(6)1-2-5/h3HInChIKey=GQATWZHTGUHGEK-UHFFFAOYSA-N164.5Ex 164.50(BP est) 21.77(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C#CCl) 21.8PredN
BrC(Cl)(C#C)Cl9715187.845C3HBrCl23-bromo-3,3-dichloroprop-1-yneN76BrC(Cl)(C#C)ClInChI=1S/C3HBrCl2/c1-2-3(4,5)6/h1HInChIKey=UWQYOSPGSKJYHY-UHFFFAOYSA-N137.5Ex 137.53(BP est) -6.96(MP est) ----(BP exp) ----(MP exp) BrC(Cl)(C#C)Cl -7PredN
CC(Br)Br9716187.862C2H4Br21,1-dibromoethaneN84CC(Br)BrInChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3InChIKey=APQIUTYORBAGEZ-UHFFFAOYSA-N109.9Ex 117.10(BP est) -50.77(MP est) 108.00(BP exp) -63.00(MP exp) CC(Br)Br -63ExptN
BrCCBr9717187.862C2H4Br21,2-dibromoethaneN84BrCCBrInChI=1S/C2H4Br2/c3-1-2-4/h1-2H2InChIKey=PAAZPARNPHGIKF-UHFFFAOYSA-N131.1Ex 131.03(BP est) -39.21(MP est) 131.60(BP exp) 9.90(MP exp) BrCCBr 9.9ExptY(Laturnus 2001)
O=PCI9718187.904CH2IOP(iodomethyl)(oxo)phosphaneN64O=PCIInChI=1S/CH2IOP/c2-1-4-3/h1H2InChIKey=XCIYHYCKLRKHLT-UHFFFAOYSA-N169.4Ex 169.36(BP est) -31.24(MP est) ----(BP exp) ----(MP exp) O=PCI -31.2PredN
C(=O)C(F)(I)9719187.94C2H2FIO2-fluoro-2-iodoacetaldehydeN75C(=O)C(F)(I)InChI=1S/C2H2FIO/c3-2(4)1-5/h1-2HInChIKey=CVNMETRAWDEXMT-UHFFFAOYSA-N136.7Ex 136.69(BP est) -54.53(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(I) -54.5PredN
FC1(I)CO19720187.94C2H2FIO2-fluoro-2-iodooxiraneN75FC1(I)CO1InChI=1S/C2H2FIO/c3-2(4)1-5-2/h1H2InChIKey=HPQWGODHCKOKFO-UHFFFAOYSA-N113.2Ex 113.17(BP est) -40.69(MP est) ----(BP exp) ----(MP exp) FC1(I)CO1 -40.7PredN
IC1C(F)O19721187.94C2H2FIO2-fluoro-3-iodooxiraneN75IC1C(F)O1InChI=1S/C2H2FIO/c3-1-2(4)5-1/h1-2HInChIKey=JRJQZBNNBSCFIH-UHFFFAOYSA-N118.7Ex 118.74(BP est) -53.13(MP est) ----(BP exp) ----(MP exp) IC1C(F)O1 -53.1PredN
IC(P)C9722187.948C2H6IP(1-iodoethyl)phosphaneN104IC(P)CInChI=1S/C2H6IP/c1-2(3)4/h2H,4H2,1H3InChIKey=LDXKPTMCGLGUBH-UHFFFAOYSA-N134.4Ex 134.43(BP est) -60.80(MP est) ----(BP exp) ----(MP exp) IC(P)C -60.8PredN
ICCP9723187.948C2H6IP(2-iodoethyl)phosphaneN104ICCPInChI=1S/C2H6IP/c3-1-2-4/h1-2,4H2InChIKey=KZABACHBBRSJTP-UHFFFAOYSA-N148.0Ex 147.95(BP est) -49.35(MP est) ----(BP exp) ----(MP exp) ICCP -49.4PredN
CPCI9724187.948C2H6IP(iodomethyl)(methyl)phosphaneN104CPCIInChI=1S/C2H6IP/c1-4-2-3/h4H,2H2,1H3InChIKey=NEYABKOSKQSPPS-UHFFFAOYSA-N128.6Ex 128.58(BP est) -63.19(MP est) ----(BP exp) ----(MP exp) CPCI -63.2PredN
OCOC(I)9725187.964C2H5IO2(iodomethoxy)methanolN105OCOC(I)InChI=1S/C2H5IO2/c3-1-5-2-4/h4H,1-2H2InChIKey=BCPZOGYGXFFXIA-UHFFFAOYSA-N195.5Ex 195.50(BP est) -9.63(MP est) ----(BP exp) ----(MP exp) OCOC(I) -9.6PredN
OC(I)OC9726187.964C2H5IO2iodo(methoxy)methanolN105OC(I)OCInChI=1S/C2H5IO2/c1-5-2(3)4/h2,4H,1H3InChIKey=ZQFGBNKCGZISRY-UHFFFAOYSA-N176.5Ex 176.49(BP est) -22.68(MP est) ----(BP exp) ----(MP exp) OC(I)OC -22.7PredN
C(CC(F)I)9727187.984C3H6FI1-fluoro-1-iodopropaneN115C(CC(F)I)InChI=1S/C3H6FI/c1-2-3(4)5/h3H,2H2,1H3InChIKey=KYSCILZWHIIRIW-UHFFFAOYSA-N100.9Ex 100.93(BP est) -80.33(MP est) ----(BP exp) ----(MP exp) C(CC(F)I) -80.3PredN
C(C(I)CF)9728187.984C3H6FI1-fluoro-2-iodopropaneN115C(C(I)CF)InChI=1S/C3H6FI/c1-3(5)2-4/h3H,2H2,1H3InChIKey=UZDAMFWPNDILRQ-UHFFFAOYSA-N100.9Ex 100.93(BP est) -80.33(MP est) ----(BP exp) ----(MP exp) C(C(I)CF) -80.3PredN
C(I)(CCF)9729187.984C3H6FI1-fluoro-3-iodopropaneN115C(I)(CCF)InChI=1S/C3H6FI/c4-2-1-3-5/h1-3H2InChIKey=URBUZQPPQLQHBZ-UHFFFAOYSA-N115.2Ex 115.23(BP est) -68.66(MP est) ----(BP exp) ----(MP exp) C(I)(CCF) -68.7PredN
C(C(F)CI)9730187.984C3H6FI2-fluoro-1-iodopropaneN115C(C(F)CI)InChI=1S/C3H6FI/c1-3(4)2-5/h3H,2H2,1H3InChIKey=FQCWFGAALPWVDK-UHFFFAOYSA-N100.9Ex 100.93(BP est) -80.33(MP est) ----(BP exp) ----(MP exp) C(C(F)CI) -80.3PredN
C(C(F)(I)C)9731187.984C3H6FI2-fluoro-2-iodopropaneN115C(C(F)(I)C)InChI=1S/C3H6FI/c1-3(2,4)5/h1-2H3InChIKey=NTTHUTJOOOQYDD-UHFFFAOYSA-N91.4Ex 91.35(BP est) -74.42(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)C) -74.4PredN
CSCI9733188.026C2H5IS(iodomethyl)(methyl)sulfaneN94CSCIInChI=1S/C2H5IS/c1-4-2-3/h2H2,1H3InChIKey=LXXKITJEFGLJNW-UHFFFAOYSA-N155.3Ex 155.28(BP est) -45.70(MP est) ----(BP exp) ----(MP exp) CSCI -45.7PredN
SC(C)I9734188.026C2H5IS1-iodoethane-1-thiolN94SC(C)IInChI=1S/C2H5IS/c1-2(3)4/h2,4H,1H3InChIKey=YASNZJRIDSBIQK-UHFFFAOYSA-N155.2Ex 155.21(BP est) -52.19(MP est) ----(BP exp) ----(MP exp) SC(C)I -52.2PredN
SC(CI)9735188.026C2H5IS2-iodoethane-1-thiolN94SC(CI)InChI=1S/C2H5IS/c3-1-2-4/h4H,1-2H2InChIKey=YSSIVYFRAOISSC-UHFFFAOYSA-N168.2Ex 168.22(BP est) -40.89(MP est) ----(BP exp) ----(MP exp) SC(CI) -40.9PredN
C=C(I)Cl9738188.392C2H2ClI1-chloro-1-iodoetheneN64C=C(I)ClInChI=1S/C2H2ClI/c1-2(3)4/h1H2InChIKey=PXQNAFDQMNGUJG-UHFFFAOYSA-N116.5Ex 116.49(BP est) -67.12(MP est) ----(BP exp) ----(MP exp) C=C(I)Cl -67.1PredN
ClC=CI9739188.392C2H2ClI1-chloro-2-iodoetheneN64ClC=CIInChI=1S/C2H2ClI/c3-1-2-4/h1-2HInChIKey=TUZSMRBYSARKAL-UHFFFAOYSA-N131.6Ex 131.64(BP est) -57.38(MP est) ----(BP exp) ----(MP exp) ClC=CI -57.4PredN
NC(Br)Br9742188.85CH3Br2NdibromomethanamineN74NC(Br)BrInChI=1S/CH3Br2N/c2-1(3)4/h1H,4H2InChIKey=QUKSRUJHHNSXDT-UHFFFAOYSA-N154.5Ex 154.47(BP est) -3.87(MP est) ----(BP exp) ----(MP exp) NC(Br)Br -3.9PredN
NC(F)(I)(C)9744188.972C2H5FIN1-fluoro-1-iodoethan-1-amineN105NC(F)(I)(C)InChI=1S/C2H5FIN/c1-2(3,4)5/h5H2,1H3InChIKey=BUMHOIRBOQIORE-UHFFFAOYSA-N130.3Ex 130.33(BP est) -27.05(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(C) -27.1PredN
CNC(F)(I)9745188.972C2H5FIN1-fluoro-1-iodo-N-methylmethanamineN105CNC(F)(I)InChI=1S/C2H5FIN/c1-5-2(3)4/h2,5H,1H3InChIKey=GVOVALJURYCTBM-UHFFFAOYSA-N121.5Ex 121.45(BP est) -53.65(MP est) ----(BP exp) ----(MP exp) CNC(F)(I) -53.7PredN
NC(F)(CI)9746188.972C2H5FIN1-fluoro-2-iodoethan-1-amineN105NC(F)(CI)InChI=1S/C2H5FIN/c3-2(5)1-4/h2H,1,5H2InChIKey=UKZBBDOHUMCYDQ-UHFFFAOYSA-N139.3Ex 139.32(BP est) -33.13(MP est) ----(BP exp) ----(MP exp) NC(F)(CI) -33.1PredN
C(I)NC(F)9747188.972C2H5FIN1-fluoro-N-(iodomethyl)methanamineN105C(I)NC(F)InChI=1S/C2H5FIN/c3-1-5-2-4/h5H,1-2H2InChIKey=GXIMJNJRIWZDSA-UHFFFAOYSA-N135.3Ex 135.27(BP est) -42.11(MP est) ----(BP exp) ----(MP exp) C(I)NC(F) -42.1PredN
NC(I)(CF)9748188.972C2H5FIN2-fluoro-1-iodoethan-1-amineN105NC(I)(CF)InChI=1S/C2H5FIN/c3-1-2(4)5/h2H,1,5H2InChIKey=WLDLIGJQXWXIIY-UHFFFAOYSA-N139.3Ex 139.32(BP est) -33.13(MP est) ----(BP exp) ----(MP exp) NC(I)(CF) -33.1PredN
NC(C(F)I)9749188.972C2H5FIN2-fluoro-2-iodoethan-1-amineN105NC(C(F)I)InChI=1S/C2H5FIN/c3-2(4)1-5/h2H,1,5H2InChIKey=LIPOHKQNGHXWSB-UHFFFAOYSA-N139.3Ex 139.32(BP est) -33.13(MP est) ----(BP exp) ----(MP exp) NC(C(F)I) -33.1PredN
O=PC(C)(Br)Cl9750189.373C2H3BrClOP(1-bromo-1-chloroethyl)(oxo)phosphaneN96O=PC(C)(Br)ClInChI=1S/C2H3BrClOP/c1-2(3,4)6-5/h1H3InChIKey=SNTPIGYNYVAELQ-UHFFFAOYSA-N172.1Ex 172.07(BP est) -7.77(MP est) ----(BP exp) ----(MP exp) O=PC(C)(Br)Cl -7.8PredN
O=PC(Br)CCl9751189.373C2H3BrClOP(1-bromo-2-chloroethyl)(oxo)phosphaneN96O=PC(Br)CClInChI=1S/C2H3BrClOP/c3-2(1-4)6-5/h2H,1H2InChIKey=DGGIFEHXUNEITP-UHFFFAOYSA-N202.5Ex 202.50(BP est) -7.60(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CCl -7.6PredN
O=PC(Cl)CBr9753189.373C2H3BrClOP(2-bromo-1-chloroethyl)(oxo)phosphaneN96O=PC(Cl)CBrInChI=1S/C2H3BrClOP/c3-1-2(4)6-5/h2H,1H2InChIKey=DTAYQONOFCPMTQ-UHFFFAOYSA-N191.6Ex 191.56(BP est) -10.79(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CBr -10.8PredN
O=PCC(Br)Cl9755189.373C2H3BrClOP(2-bromo-2-chloroethyl)(oxo)phosphaneN96O=PCC(Br)ClInChI=1S/C2H3BrClOP/c3-2(4)1-6-5/h2H,1H2InChIKey=ATQUHWWAKHPVJO-UHFFFAOYSA-N191.6Ex 191.56(BP est) -10.79(MP est) ----(BP exp) ----(MP exp) O=PCC(Br)Cl -10.8PredN
O=P1C(Cl)(Br)C19758189.373C2H3BrClOP2-bromo-2-chlorophosphirane 1-oxideN96O=P1C(Cl)(Br)C1InChI=1S/C2H3BrClOP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=NXTTUWXVIWNZAE-UHFFFAOYSA-N181.7Ex 181.65(BP est) 8.31(MP est) ----(BP exp) ----(MP exp) O=P1C(Cl)(Br)C1 8.3PredN
O=P1C(Br)C1Cl9760189.373C2H3BrClOP2-bromo-3-chlorophosphirane 1-oxideN96O=P1C(Br)C1ClInChI=1S/C2H3BrClOP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=RLHYUZAIWAQUGB-UHFFFAOYSA-N197.6Ex 197.58(BP est) -1.11(MP est) ----(BP exp) ----(MP exp) O=P1C(Br)C1Cl -1.1PredN
CPC(Cl)(C)Br9761189.417C3H7BrClP(1-bromo-1-chloroethyl)(methyl)phosphaneN136CPC(Cl)(C)BrInChI=1S/C3H7BrClP/c1-3(4,5)6-2/h6H,1-2H3InChIKey=CEEYKUIAIGXKRH-UHFFFAOYSA-N131.5Ex 131.51(BP est) -39.66(MP est) ----(BP exp) ----(MP exp) CPC(Cl)(C)Br -39.7PredN
CC(P)C(Cl)Br9762189.417C3H7BrClP(1-bromo-1-chloropropan-2-yl)phosphaneN136CC(P)C(Cl)BrInChI=1S/C3H7BrClP/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=VOZJJFDUGIIBNF-UHFFFAOYSA-N158.2Ex 158.16(BP est) -39.91(MP est) ----(BP exp) ----(MP exp) CC(P)C(Cl)Br -39.9PredN
BrC(CC)(P)Cl9763189.417C3H7BrClP(1-bromo-1-chloropropyl)phosphaneN136BrC(CC)(P)ClInChI=1S/C3H7BrClP/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=JROWPEYWCVTZBS-UHFFFAOYSA-N150.8Ex 150.77(BP est) -25.85(MP est) ----(BP exp) ----(MP exp) BrC(CC)(P)Cl -25.9PredN
CPC(Br)CCl9764189.417C3H7BrClP(1-bromo-2-chloroethyl)(methyl)phosphaneN136CPC(Br)CClInChI=1S/C3H7BrClP/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=OVEFYIJSVSHNOP-UHFFFAOYSA-N164.4Ex 164.41(BP est) -38.77(MP est) ----(BP exp) ----(MP exp) CPC(Br)CCl -38.8PredN
ClC(CBr)(P)C9765189.417C3H7BrClP(1-bromo-2-chloropropan-2-yl)phosphaneN136ClC(CBr)(P)CInChI=1S/C3H7BrClP/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=QLLXPGNSEIJAJF-UHFFFAOYSA-N150.8Ex 150.77(BP est) -25.85(MP est) ----(BP exp) ----(MP exp) ClC(CBr)(P)C -25.9PredN
BrC(P)C(C)Cl9766189.417C3H7BrClP(1-bromo-2-chloropropyl)phosphaneN136BrC(P)C(C)ClInChI=1S/C3H7BrClP/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=NVDFVCRLDVWMIE-UHFFFAOYSA-N158.2Ex 158.16(BP est) -39.91(MP est) ----(BP exp) ----(MP exp) BrC(P)C(C)Cl -39.9PredN
PC(Br)CCCl9767189.417C3H7BrClP(1-bromo-3-chloropropyl)phosphaneN136PC(Br)CCClInChI=1S/C3H7BrClP/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=QXKLNJNRRQJHEL-UHFFFAOYSA-N182.5Ex 182.52(BP est) -25.29(MP est) ----(BP exp) ----(MP exp) PC(Br)CCCl -25.3PredN
ClCPC(Br)C9768189.417C3H7BrClP(1-bromoethyl)(chloromethyl)phosphaneN136ClCPC(Br)CInChI=1S/C3H7BrClP/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=ASRMWRPAXCBWBJ-UHFFFAOYSA-N164.4Ex 164.41(BP est) -38.77(MP est) ----(BP exp) ----(MP exp) ClCPC(Br)C -38.8PredN
CPC(CBr)Cl9769189.417C3H7BrClP(2-bromo-1-chloroethyl)(methyl)phosphaneN136CPC(CBr)ClInChI=1S/C3H7BrClP/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=YETSEWQJKBXINV-UHFFFAOYSA-N152.6Ex 152.56(BP est) -42.23(MP est) ----(BP exp) ----(MP exp) CPC(CBr)Cl -42.2PredN
ClC(P)C(C)Br9770189.417C3H7BrClP(2-bromo-1-chloropropyl)phosphaneN136ClC(P)C(C)BrInChI=1S/C3H7BrClP/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=QGKKBXVOQDETLE-UHFFFAOYSA-N158.2Ex 158.16(BP est) -39.91(MP est) ----(BP exp) ----(MP exp) ClC(P)C(C)Br -39.9PredN
CPCC(Cl)Br9771189.417C3H7BrClP(2-bromo-2-chloroethyl)(methyl)phosphaneN136CPCC(Cl)BrInChI=1S/C3H7BrClP/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=WCSOZKVNEPTKGZ-UHFFFAOYSA-N152.6Ex 152.56(BP est) -42.23(MP est) ----(BP exp) ----(MP exp) CPCC(Cl)Br -42.2PredN
BrC(Cl)(C)CP9772189.417C3H7BrClP(2-bromo-2-chloropropyl)phosphaneN136BrC(Cl)(C)CPInChI=1S/C3H7BrClP/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=GFOSMTHGUPHYEY-UHFFFAOYSA-N150.8Ex 150.77(BP est) -25.85(MP est) ----(BP exp) ----(MP exp) BrC(Cl)(C)CP -25.9PredN
PCC(Br)CCl9773189.417C3H7BrClP(2-bromo-3-chloropropyl)phosphaneN136PCC(Br)CClInChI=1S/C3H7BrClP/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=NZQXQVYCPMZJQC-UHFFFAOYSA-N182.5Ex 182.52(BP est) -25.29(MP est) ----(BP exp) ----(MP exp) PCC(Br)CCl -25.3PredN
ClCPCCBr9774189.417C3H7BrClP(2-bromoethyl)(chloromethyl)phosphaneN136ClCPCCBrInChI=1S/C3H7BrClP/c4-1-2-6-3-5/h6H,1-3H2InChIKey=FSDKOGZQJVVIEV-UHFFFAOYSA-N177.2Ex 177.19(BP est) -27.54(MP est) ----(BP exp) ----(MP exp) ClCPCCBr -27.5PredN
PC(Cl)CCBr9775189.417C3H7BrClP(3-bromo-1-chloropropyl)phosphaneN136PC(Cl)CCBrInChI=1S/C3H7BrClP/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=IYXDAGVYJWXDBH-UHFFFAOYSA-N171.1Ex 171.10(BP est) -28.63(MP est) ----(BP exp) ----(MP exp) PC(Cl)CCBr -28.6PredN
PCC(Cl)CBr9776189.417C3H7BrClP(3-bromo-2-chloropropyl)phosphaneN136PCC(Cl)CBrInChI=1S/C3H7BrClP/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=CKUHLBSOQMTPHM-UHFFFAOYSA-N171.1Ex 171.10(BP est) -28.63(MP est) ----(BP exp) ----(MP exp) PCC(Cl)CBr -28.6PredN
PCCC(Br)Cl9777189.417C3H7BrClP(3-bromo-3-chloropropyl)phosphaneN136PCCC(Br)ClInChI=1S/C3H7BrClP/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=ISRFFKAIAYAAKU-UHFFFAOYSA-N171.1Ex 171.10(BP est) -28.63(MP est) ----(BP exp) ----(MP exp) PCCC(Br)Cl -28.6PredN
BrC(PCC)Cl9778189.417C3H7BrClP(bromochloromethyl)(ethyl)phosphaneN136BrC(PCC)ClInChI=1S/C3H7BrClP/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=FDKQIUHBFCPNMI-UHFFFAOYSA-N152.6Ex 152.56(BP est) -42.23(MP est) ----(BP exp) ----(MP exp) BrC(PCC)Cl -42.2PredN
CP(C(Cl)Br)C9779189.417C3H7BrClP(bromochloromethyl)dimethylphosphaneN136CP(C(Cl)Br)CInChI=1S/C3H7BrClP/c1-6(2)3(4)5/h3H,1-2H3InChIKey=KWAYIXMDYAKZMX-UHFFFAOYSA-N153.4Ex 153.44(BP est) -42.65(MP est) ----(BP exp) ----(MP exp) CP(C(Cl)Br)C -42.7PredN
BrCPC(C)Cl9780189.417C3H7BrClP(bromomethyl)(1-chloroethyl)phosphaneN136BrCPC(C)ClInChI=1S/C3H7BrClP/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=OMRGJMAOZHXHFJ-UHFFFAOYSA-N152.6Ex 152.56(BP est) -42.23(MP est) ----(BP exp) ----(MP exp) BrCPC(C)Cl -42.2PredN
BrCPCCCl9781189.417C3H7BrClP(bromomethyl)(2-chloroethyl)phosphaneN136BrCPCCClInChI=1S/C3H7BrClP/c4-3-6-2-1-5/h6H,1-3H2InChIKey=NPIOTSKQDVJYGD-UHFFFAOYSA-N177.2Ex 177.19(BP est) -27.54(MP est) ----(BP exp) ----(MP exp) BrCPCCCl -27.5PredN
CP(CCl)CBr9782189.417C3H7BrClP(bromomethyl)(chloromethyl)(methyl)phosphaneN136CP(CCl)CBrInChI=1S/C3H7BrClP/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=WALNPQMIDUSPPA-UHFFFAOYSA-N178.0Ex 178.03(BP est) -27.98(MP est) ----(BP exp) ----(MP exp) CP(CCl)CBr -28PredN
CSC(Cl)(C)Br9783189.495C3H6BrClS(1-bromo-1-chloroethyl)(methyl)sulfaneN126CSC(Cl)(C)BrInChI=1S/C3H6BrClS/c1-3(4,5)6-2/h1-2H3InChIKey=OCSJZKQVBUYEQG-UHFFFAOYSA-N158.1Ex 158.06(BP est) -22.21(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(C)Br -22.2PredN
CSC(Br)(CCl)9784189.495C3H6BrClS(1-bromo-2-chloroethyl)(methyl)sulfaneN126CSC(Br)(CCl)InChI=1S/C3H6BrClS/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=QYSSAOYNFJJXKI-UHFFFAOYSA-N189.4Ex 189.37(BP est) -21.78(MP est) ----(BP exp) ----(MP exp) CSC(Br)(CCl) -21.8PredN
C(Cl)SC(Br)(C)9785189.495C3H6BrClS(1-bromoethyl)(chloromethyl)sulfaneN126C(Cl)SC(Br)(C)InChI=1S/C3H6BrClS/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=UGPKEVBMPYNXPG-UHFFFAOYSA-N189.4Ex 189.37(BP est) -21.78(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Br)(C) -21.8PredN
CSC(Cl)(CBr)9786189.495C3H6BrClS(2-bromo-1-chloroethyl)(methyl)sulfaneN126CSC(Cl)(CBr)InChI=1S/C3H6BrClS/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=QNBSIHRNZZEPDG-UHFFFAOYSA-N178.1Ex 178.10(BP est) -25.07(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(CBr) -25.1PredN
CSC(C(Br)Cl)9787189.495C3H6BrClS(2-bromo-2-chloroethyl)(methyl)sulfaneN126CSC(C(Br)Cl)InChI=1S/C3H6BrClS/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=QPMCTOKPFHSJKV-UHFFFAOYSA-N178.1Ex 178.10(BP est) -25.07(MP est) ----(BP exp) ----(MP exp) CSC(C(Br)Cl) -25.1PredN
C(Cl)SC(CBr)9788189.495C3H6BrClS(2-bromoethyl)(chloromethyl)sulfaneN126C(Cl)SC(CBr)InChI=1S/C3H6BrClS/c4-1-2-6-3-5/h1-3H2InChIKey=KRALRHZNOWQKOP-UHFFFAOYSA-N201.5Ex 201.49(BP est) -10.74(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(CBr) -10.7PredN
C(Br)(Cl)SC(C)9789189.495C3H6BrClS(bromochloromethyl)(ethyl)sulfaneN126C(Br)(Cl)SC(C)InChI=1S/C3H6BrClS/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=QDWSHWHCEYDAJB-UHFFFAOYSA-N178.1Ex 178.10(BP est) -25.07(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)SC(C) -25.1PredN
C(Br)SC(Cl)(C)9790189.495C3H6BrClS(bromomethyl)(1-chloroethyl)sulfaneN126C(Br)SC(Cl)(C)InChI=1S/C3H6BrClS/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=SZAUDTAROCQCLU-UHFFFAOYSA-N178.1Ex 178.10(BP est) -25.07(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Cl)(C) -25.1PredN
C(Br)SC(CCl)9791189.495C3H6BrClS(bromomethyl)(2-chloroethyl)sulfaneN126C(Br)SC(CCl)InChI=1S/C3H6BrClS/c4-3-6-2-1-5/h1-3H2InChIKey=RPIGCUNOMAOZMK-UHFFFAOYSA-N201.5Ex 201.49(BP est) -10.74(MP est) ----(BP exp) ----(MP exp) C(Br)SC(CCl) -10.7PredN
SC(Br)(Cl)(CC)9792189.495C3H6BrClS1-bromo-1-chloropropane-1-thiolN126SC(Br)(Cl)(CC)InChI=1S/C3H6BrClS/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=UFXYNPRBIYJKKS-UHFFFAOYSA-N170.9Ex 170.94(BP est) -17.42(MP est) ----(BP exp) ----(MP exp) SC(Br)(Cl)(CC) -17.4PredN
SC(C)(C(Br)Cl)9793189.495C3H6BrClS1-bromo-1-chloropropane-2-thiolN126SC(C)(C(Br)Cl)InChI=1S/C3H6BrClS/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=BDOMGHAHBMQERG-UHFFFAOYSA-N178.0Ex 178.04(BP est) -31.56(MP est) ----(BP exp) ----(MP exp) SC(C)(C(Br)Cl) -31.6PredN
SC(Br)(C(Cl)C)9794189.495C3H6BrClS1-bromo-2-chloropropane-1-thiolN126SC(Br)(C(Cl)C)InChI=1S/C3H6BrClS/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=DLDZRCDNHYOBFN-UHFFFAOYSA-N178.0Ex 178.04(BP est) -31.56(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(Cl)C) -31.6PredN
SC(Cl)(C)(CBr)9795189.495C3H6BrClS1-bromo-2-chloropropane-2-thiolN126SC(Cl)(C)(CBr)InChI=1S/C3H6BrClS/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=NMETYHCENVXDPK-UHFFFAOYSA-N170.9Ex 170.94(BP est) -17.42(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C)(CBr) -17.4PredN
SC(Br)(CCCl)9796189.495C3H6BrClS1-bromo-3-chloropropane-1-thiolN126SC(Br)(CCCl)InChI=1S/C3H6BrClS/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=IRFJVTWWDYPJFX-UHFFFAOYSA-N201.4Ex 201.44(BP est) -17.23(MP est) ----(BP exp) ----(MP exp) SC(Br)(CCCl) -17.2PredN
SC(CCl)(CBr)9797189.495C3H6BrClS1-bromo-3-chloropropane-2-thiolN126SC(CCl)(CBr)InChI=1S/C3H6BrClS/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=KWPHJDWEHKLVKB-UHFFFAOYSA-N201.4Ex 201.44(BP est) -17.23(MP est) ----(BP exp) ----(MP exp) SC(CCl)(CBr) -17.2PredN
SC(Cl)(C(Br)C)9798189.495C3H6BrClS2-bromo-1-chloropropane-1-thiolN126SC(Cl)(C(Br)C)InChI=1S/C3H6BrClS/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=YJMRERPHXUXXSZ-UHFFFAOYSA-N178.0Ex 178.04(BP est) -31.56(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(Br)C) -31.6PredN
SC(Br)(C)(CCl)9799189.495C3H6BrClS2-bromo-1-chloropropane-2-thiolN126SC(Br)(C)(CCl)InChI=1S/C3H6BrClS/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=CUVSPJAVBMZTRD-UHFFFAOYSA-N193.5Ex 193.50(BP est) -10.83(MP est) ----(BP exp) ----(MP exp) SC(Br)(C)(CCl) -10.8PredN
SC(C(Br)(Cl)C)9800189.495C3H6BrClS2-bromo-2-chloropropane-1-thiolN126SC(C(Br)(Cl)C)InChI=1S/C3H6BrClS/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=VMVJFWAMRDIGAK-UHFFFAOYSA-N170.9Ex 170.94(BP est) -17.42(MP est) ----(BP exp) ----(MP exp) SC(C(Br)(Cl)C) -17.4PredN
SC(C(Br)CCl)9801189.495C3H6BrClS2-bromo-3-chloropropane-1-thiolN126SC(C(Br)CCl)InChI=1S/C3H6BrClS/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=KIXYVHKEGBJYCV-UHFFFAOYSA-N201.4Ex 201.44(BP est) -17.23(MP est) ----(BP exp) ----(MP exp) SC(C(Br)CCl) -17.2PredN
SC(Cl)(CCBr)9802189.495C3H6BrClS3-bromo-1-chloropropane-1-thiolN126SC(Cl)(CCBr)InChI=1S/C3H6BrClS/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=KYBUCFXKYMDVAY-UHFFFAOYSA-N190.5Ex 190.47(BP est) -20.43(MP est) ----(BP exp) ----(MP exp) SC(Cl)(CCBr) -20.4PredN
SC(C(Cl)CBr)9803189.495C3H6BrClS3-bromo-2-chloropropane-1-thiolN126SC(C(Cl)CBr)InChI=1S/C3H6BrClS/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=RPOWEMBUNNLQJS-UHFFFAOYSA-N190.5Ex 190.47(BP est) -20.43(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)CBr) -20.4PredN
SC(CC(Br)Cl)9804189.495C3H6BrClS3-bromo-3-chloropropane-1-thiolN126SC(CC(Br)Cl)InChI=1S/C3H6BrClS/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=OHPKOUCRLLJRFL-UHFFFAOYSA-N190.5Ex 190.47(BP est) -20.43(MP est) ----(BP exp) ----(MP exp) SC(CC(Br)Cl) -20.4PredN
OC(Br)(Br)9807189.834CH2Br2OdibromomethanolN64OC(Br)(Br)InChI=1S/CH2Br2O/c2-1(3)4/h1,4HInChIKey=WICMSCLXMMZMFF-UHFFFAOYSA-N171.1Ex 171.05(BP est) -10.25(MP est) ----(BP exp) ----(MP exp) OC(Br)(Br) -10.3PredN
ClC1CC1(Cl)Br9808189.861C3H3BrCl21-bromo-1,2-dichlorocyclopropaneN96ClC1CC1(Cl)BrInChI=1S/C3H3BrCl2/c4-3(6)1-2(3)5/h2H,1H2InChIKey=XGCVMKNKZIYBRW-UHFFFAOYSA-N149.7Ex 149.70(BP est) -9.30(MP est) ----(BP exp) ----(MP exp) ClC1CC1(Cl)Br -9.3PredN
CC(Cl)=C(Cl)Br9809189.861C3H3BrCl21-bromo-1,2-dichloroprop-1-eneN96CC(Cl)=C(Cl)BrInChI=1S/C3H3BrCl2/c1-2(5)3(4)6/h1H3InChIKey=GJZXXZAQBVYUPV-UHFFFAOYSA-N142.8Ex 142.76(BP est) -46.63(MP est) ----(BP exp) ----(MP exp) CC(Cl)=C(Cl)Br -46.6PredN
C(Cl)(C=C(Br)Cl)9810189.861C3H3BrCl21-bromo-1,3-dichloroprop-1-eneN96C(Cl)(C=C(Br)Cl)InChI=1S/C3H3BrCl2/c4-3(6)1-2-5/h1H,2H2InChIKey=SHTJJOLQRMKCIH-UHFFFAOYSA-N174.3Ex 174.27(BP est) -30.45(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(Br)Cl) -30.5PredN
C(Cl)(C1Cl)(C1Br)9811189.861C3H3BrCl21-bromo-2,3-dichlorocyclopropaneN96C(Cl)(C1Cl)(C1Br)InChI=1S/C3H3BrCl2/c4-1-2(5)3(1)6/h1-3HInChIKey=WDYJRFFDQKYNML-UHFFFAOYSA-N166.7Ex 166.69(BP est) -18.41(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1Cl)(C1Br) -18.4PredN
C(Cl)(C(Cl)=CBr)9812189.861C3H3BrCl21-bromo-2,3-dichloroprop-1-eneN96C(Cl)(C(Cl)=CBr)InChI=1S/C3H3BrCl2/c4-1-3(6)2-5/h1H,2H2InChIKey=VMKPPYBHLSASCE-UHFFFAOYSA-N174.3Ex 174.27(BP est) -30.45(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)=CBr) -30.5PredN
C(Cl)(Cl)(C=CBr)9813189.861C3H3BrCl21-bromo-3,3-dichloroprop-1-eneN96C(Cl)(Cl)(C=CBr)InChI=1S/C3H3BrCl2/c4-2-1-3(5)6/h1-3HInChIKey=FTAROPDPNVUFCL-UHFFFAOYSA-N169.1Ex 169.13(BP est) -32.47(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C=CBr) -32.5PredN
BrC1CC1(Cl)Cl9814189.861C3H3BrCl22-bromo-1,1-dichlorocyclopropaneN96BrC1CC1(Cl)ClInChI=1S/C3H3BrCl2/c4-2-1-3(2,5)6/h2H,1H2InChIKey=XNHGDEYPUNAQJA-UHFFFAOYSA-N137.6Ex 137.55(BP est) -12.85(MP est) ----(BP exp) ----(MP exp) BrC1CC1(Cl)Cl -12.9PredN
CC(Br)=C(Cl)Cl9815189.861C3H3BrCl22-bromo-1,1-dichloroprop-1-eneN96CC(Br)=C(Cl)ClInChI=1S/C3H3BrCl2/c1-2(4)3(5)6/h1H3InChIKey=UCOAYDHVWANENW-UHFFFAOYSA-N139.0Ex 142.76(BP est) -46.63(MP est) ----(BP exp) ----(MP exp) CC(Br)=C(Cl)Cl -46.6PredN
C(Cl)(C(Br)=CCl)9816189.861C3H3BrCl22-bromo-1,3-dichloroprop-1-eneN96C(Cl)(C(Br)=CCl)InChI=1S/C3H3BrCl2/c4-3(1-5)2-6/h1H,2H2InChIKey=WBTOJIBQLMMBQM-UHFFFAOYSA-N174.3Ex 174.27(BP est) -30.45(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)=CCl) -30.5PredN
ClC(C(Br)=C)Cl9817189.861C3H3BrCl22-bromo-3,3-dichloroprop-1-eneN96ClC(C(Br)=C)ClInChI=1S/C3H3BrCl2/c1-2(4)3(5)6/h3H,1H2InChIKey=JUXHJWRTNSVVNC-UHFFFAOYSA-N155.0Ex 155.00(BP est) -41.92(MP est) ----(BP exp) ----(MP exp) ClC(C(Br)=C)Cl -41.9PredN
BrCC=C(Cl)Cl9818189.861C3H3BrCl23-bromo-1,1-dichloroprop-1-eneN96BrCC=C(Cl)ClInChI=1S/C3H3BrCl2/c4-2-1-3(5)6/h1H,2H2InChIKey=JMURNZDCVGWDRG-UHFFFAOYSA-N148.8Ex 148.83(BP est) -37.87(MP est) ----(BP exp) ----(MP exp) BrCC=C(Cl)Cl -37.9PredN
BrCC(Cl)=CCl9819189.861C3H3BrCl23-bromo-1,2-dichloroprop-1-eneN96BrCC(Cl)=CClInChI=1S/C3H3BrCl2/c4-1-3(6)2-5/h2H,1H2InChIKey=JVGWMFJNSGUTNG-UHFFFAOYSA-N148.8Ex 148.83(BP est) -37.87(MP est) ----(BP exp) ----(MP exp) BrCC(Cl)=CCl -37.9PredN
BrC(C=CCl)Cl9820189.861C3H3BrCl23-bromo-1,3-dichloroprop-1-eneN96BrC(C=CCl)ClInChI=1S/C3H3BrCl2/c4-3(6)1-2-5/h1-3HInChIKey=QLMDACYNDYYMRF-UHFFFAOYSA-N155.5Ex 155.49(BP est) -36.45(MP est) ----(BP exp) ----(MP exp) BrC(C=CCl)Cl -36.5PredN
BrC(C(Cl)=C)Cl9821189.861C3H3BrCl23-bromo-2,3-dichloroprop-1-eneN96BrC(C(Cl)=C)ClInChI=1S/C3H3BrCl2/c1-2(5)3(4)6/h3H,1H2InChIKey=NHWRLUUXXJQEHL-UHFFFAOYSA-N141.0Ex 140.98(BP est) -46.01(MP est) ----(BP exp) ----(MP exp) BrC(C(Cl)=C)Cl -46PredN
BrC(Cl)(C=C)Cl9822189.861C3H3BrCl23-bromo-3,3-dichloroprop-1-eneN96BrC(Cl)(C=C)ClInChI=1S/C3H3BrCl2/c1-2-3(4,5)6/h2H,1H2InChIKey=WZOJFXIOLQTAMO-UHFFFAOYSA-N127.8Ex 127.84(BP est) -34.15(MP est) ----(BP exp) ----(MP exp) BrC(Cl)(C=C)Cl -34.2PredN
C(I)=C(F)(F)9824189.931C2HF2I1,1-difluoro-2-iodoetheneN65C(I)=C(F)(F)InChI=1S/C2HF2I/c3-2(4)1-5/h1HInChIKey=WSCRLFDLSFDDIS-UHFFFAOYSA-N94.6Ex 94.56(BP est) -89.55(MP est) ----(BP exp) ----(MP exp) C(I)=C(F)(F) -89.6PredN
C(F)=C(F)(I)9825189.931C2HF2I1,2-difluoro-1-iodoetheneN65C(F)=C(F)(I)InChI=1S/C2HF2I/c3-1-2(4)5/h1HInChIKey=FEJGXYOLCAYRJW-UHFFFAOYSA-N49.5Ex 94.56(BP est) -89.55(MP est) ----(BP exp) ----(MP exp) C(F)=C(F)(I) -89.6PredN
OC(F)(I)(C)9826189.956C2H4FIO1-fluoro-1-iodoethan-1-olN95OC(F)(I)(C)InChI=1S/C2H4FIO/c1-2(3,4)5/h5H,1H3InChIKey=CURQCPTUCVXDDN-UHFFFAOYSA-N137.2Ex 137.21(BP est) -36.26(MP est) ----(BP exp) ----(MP exp) OC(F)(I)(C) -36.3PredN
OC(F)(CI)9827189.956C2H4FIO1-fluoro-2-iodoethan-1-olN95OC(F)(CI)InChI=1S/C2H4FIO/c3-2(5)1-4/h2,5H,1H2InChIKey=DGSFGIXBKJTNPN-UHFFFAOYSA-N156.4Ex 156.37(BP est) -39.37(MP est) ----(BP exp) ----(MP exp) OC(F)(CI) -39.4PredN
OC(I)(CF)9828189.956C2H4FIO2-fluoro-1-iodoethan-1-olN95OC(I)(CF)InChI=1S/C2H4FIO/c3-1-2(4)5/h2,5H,1H2InChIKey=VPEXUNSTJGAPDT-UHFFFAOYSA-N156.4Ex 156.37(BP est) -39.37(MP est) ----(BP exp) ----(MP exp) OC(I)(CF) -39.4PredN
OC(C(F)I)9829189.956C2H4FIO2-fluoro-2-iodoethan-1-olN95OC(C(F)I)InChI=1S/C2H4FIO/c3-2(4)1-5/h2,5H,1H2InChIKey=GEYVHXLFWJWJQH-UHFFFAOYSA-N163.4Ex 163.38(BP est) -37.33(MP est) ----(BP exp) ----(MP exp) OC(C(F)I) -37.3PredN
C(I)OC(F)9830189.956C2H4FIOfluoro(iodomethoxy)methaneN95C(I)OC(F)InChI=1S/C2H4FIO/c3-1-5-2-4/h1-2H2InChIKey=ONMSATNGMMXGHM-UHFFFAOYSA-N116.1Ex 116.14(BP est) -62.92(MP est) ----(BP exp) ----(MP exp) C(I)OC(F) -62.9PredN
COC(F)(I)9831189.956C2H4FIOfluoroiodo(methoxy)methaneN95COC(F)(I)InChI=1S/C2H4FIO/c1-5-2(3)4/h2H,1H3InChIKey=QKDPRZZLCCRAAT-UHFFFAOYSA-N101.9Ex 101.86(BP est) -74.58(MP est) ----(BP exp) ----(MP exp) COC(F)(I) -74.6PredN
NNC(F)(I)9832189.96CH4FIN2(fluoroiodomethyl)hydrazineN95NNC(F)(I)InChI=1S/CH4FIN2/c2-1(3)5-4/h1,5H,4H2InChIKey=SQQCNSGKEIXRPL-UHFFFAOYSA-N158.5Ex 158.54(BP est) -6.83(MP est) ----(BP exp) ----(MP exp) NNC(F)(I) -6.8PredN
IC#CC1=CC19833189.983C5H3I1-(iodoethynyl)cycloprop-1-eneN96IC#CC1=CC1InChI=1S/C5H3I/c6-4-3-5-1-2-5/h1H,2H2InChIKey=KNLNMMGOTNYBIJ-UHFFFAOYSA-N184.2Ex 184.22(BP est) 20.13(MP est) ----(BP exp) ----(MP exp) IC#CC1=CC1 20.1PredN
IC(C1)=C1C#C9834189.983C5H3I1-ethynyl-2-iodocycloprop-1-eneN96IC(C1)=C1C#CInChI=1S/C5H3I/c1-2-4-3-5(4)6/h1H,3H2InChIKey=IVVTZMULDAKEGO-UHFFFAOYSA-N174.7Ex 174.66(BP est) 7.14(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1C#C 7.1PredN
C#CC1=CC1I9835189.983C5H3I1-ethynyl-3-iodocycloprop-1-eneN96C#CC1=CC1IInChI=1S/C5H3I/c1-2-4-3-5(4)6/h1,3,5HInChIKey=DZZYUSVXMUZCIN-UHFFFAOYSA-N170.4Ex 170.35(BP est) -2.50(MP est) ----(BP exp) ----(MP exp) C#CC1=CC1I -2.5PredN
C(C)#C(C#CI)9836189.983C5H3I1-iodopenta-1,3-diyneN96C(C)#C(C#CI)InChI=1S/C5H3I/c1-2-3-4-5-6/h1H3InChIKey=ZYWAFJXPPXRZAM-UHFFFAOYSA-N188.7Ex 188.71(BP est) 33.20(MP est) ----(BP exp) ----(MP exp) C(C)#C(C#CI) 33.2PredN
C(C#C)(C#CI)9837189.983C5H3I1-iodopenta-1,4-diyneN96C(C#C)(C#CI)InChI=1S/C5H3I/c1-2-3-4-5-6/h1H,3H2InChIKey=GRUSZTLJTRXIMH-UHFFFAOYSA-N181.0Ex 181.03(BP est) 15.05(MP est) ----(BP exp) ----(MP exp) C(C#C)(C#CI) 15.1PredN
IC#CC1C=C19838189.983C5H3I3-(iodoethynyl)cycloprop-1-eneN96IC#CC1C=C1InChI=1S/C5H3I/c6-4-3-5-1-2-5/h1-2,5HInChIKey=BLHGWBACHSWLTI-UHFFFAOYSA-N180.0Ex 180.00(BP est) 23.62(MP est) ----(BP exp) ----(MP exp) IC#CC1C=C1 23.6PredN
IC1=CC1C#C9839189.983C5H3I3-ethynyl-1-iodocycloprop-1-eneN96IC1=CC1C#CInChI=1S/C5H3I/c1-2-4-3-5(4)6/h1,3-4HInChIKey=LSRKIMFOXQNPFJ-UHFFFAOYSA-N170.4Ex 170.35(BP est) -2.50(MP est) ----(BP exp) ----(MP exp) IC1=CC1C#C -2.5PredN
IC1(C#C)C=C19840189.983C5H3I3-ethynyl-3-iodocycloprop-1-eneN96IC1(C#C)C=C1InChI=1S/C5H3I/c1-2-5(6)3-4-5/h1,3-4HInChIKey=STHAPSAFOMSDSR-UHFFFAOYSA-N160.9Ex 160.89(BP est) 0.43(MP est) ----(BP exp) ----(MP exp) IC1(C#C)C=C1 0.4PredN
C(I)(C#C)(C#C)9841189.983C5H3I3-iodopenta-1,4-diyneN96C(I)(C#C)(C#C)InChI=1S/C5H3I/c1-3-5(6)4-2/h1-2,5HInChIKey=XZDBJCSOQHOKBS-UHFFFAOYSA-N160.3Ex 160.34(BP est) -5.05(MP est) ----(BP exp) ----(MP exp) C(I)(C#C)(C#C) -5.1PredN
C(CI)#C(C#C)9842189.983C5H3I5-iodopenta-1,3-diyneN96C(CI)#C(C#C)InChI=1S/C5H3I/c1-2-3-4-5-6/h1H,5H2InChIKey=YDYVLFPDPYMSPO-UHFFFAOYSA-N181.0Ex 181.03(BP est) 15.05(MP est) ----(BP exp) ----(MP exp) C(CI)#C(C#C) 15.1PredN
CC(I)Cl9843190.408C2H4ClI1-chloro-1-iodoethaneN84CC(I)ClInChI=1S/C2H4ClI/c1-2(3)4/h2H,1H3InChIKey=RYAGQMSEMGVLGY-UHFFFAOYSA-N125.3Ex 125.27(BP est) -64.20(MP est) ----(BP exp) ----(MP exp) CC(I)Cl -64.2PredN
ClCCI9844190.408C2H4ClI1-chloro-2-iodoethaneN84ClCCIInChI=1S/C2H4ClI/c3-1-2-4/h1-2H2InChIKey=JTWWWQGSFTWWDL-UHFFFAOYSA-N138.0Ex 151.15(BP est) -49.14(MP est) 140.00(BP exp) -15.60(MP exp) ClCCI -15.6ExptY(Ballschmiter 2003)
ClC1C(Br)(Cl)N19845190.849C2H2BrCl2N2-bromo-2,3-dichloroaziridineN86ClC1C(Br)(Cl)N1InChI=1S/C2H2BrCl2N/c3-2(5)1(4)6-2/h1,6HInChIKey=VJPZAUXSZJVSID-UHFFFAOYSA-N184.1Ex 184.13(BP est) 20.74(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Cl)N1 20.7PredN
BrC1C(Cl)(Cl)N19846190.849C2H2BrCl2N3-bromo-2,2-dichloroaziridineN86BrC1C(Cl)(Cl)N1InChI=1S/C2H2BrCl2N/c3-1-2(4,5)6-1/h1,6HInChIKey=XAZVTFSUNZEZIT-UHFFFAOYSA-N172.8Ex 172.77(BP est) 15.77(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(Cl)N1 15.8PredN
NOC(I)F9852190.944CH3FINOO-(fluoroiodomethyl)hydroxylamineN85NOC(I)FInChI=1S/CH3FINO/c2-1(3)5-4/h1H,4H2InChIKey=FYZPGCBDLLRGSB-UHFFFAOYSA-N140.2Ex 140.19(BP est) -27.40(MP est) ----(BP exp) ----(MP exp) NOC(I)F -27.4PredN
IC#CC1=CN19853190.971C4H2IN2-(iodoethynyl)-1H-azirineN86IC#CC1=CN1InChI=1S/C4H2IN/c5-2-1-4-3-6-4/h3,6HInChIKey=PSOAMGFIEIFCDE-UHFFFAOYSA-N216.3Ex 216.29(BP est) 51.06(MP est) ----(BP exp) ----(MP exp) IC#CC1=CN1 51.1PredN
IC(N1)=C1C#C9854190.971C4H2IN2-ethynyl-3-iodo-1H-azirineN86IC(N1)=C1C#CInChI=1S/C4H2IN/c1-2-3-4(5)6-3/h1,6HInChIKey=QPOAEPSPHVVAJZ-UHFFFAOYSA-N207.4Ex 207.40(BP est) 35.51(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1C#C 35.5PredN
CSSC(Br)(F)9855191.076C2H4BrFS21-(bromofluoromethyl)-2-methyldisulfaneN106CSSC(Br)(F)InChI=1S/C2H4BrFS2/c1-5-6-2(3)4/h2H,1H3InChIKey=HAMJHWUKSNUCQS-UHFFFAOYSA-N174.6Ex 174.57(BP est) -29.20(MP est) ----(BP exp) ----(MP exp) CSSC(Br)(F) -29.2PredN
C(Br)SSC(F)9856191.076C2H4BrFS21-(bromomethyl)-2-(fluoromethyl)disulfaneN106C(Br)SSC(F)InChI=1S/C2H4BrFS2/c3-1-5-6-2-4/h1-2H2InChIKey=YWDRHZBQHRXBRH-UHFFFAOYSA-N187.1Ex 187.09(BP est) -18.05(MP est) ----(BP exp) ----(MP exp) C(Br)SSC(F) -18.1PredN
PC(Br)=C(Cl)F9857191.364C2H2BrClFP(1-bromo-2-chloro-2-fluorovinyl)phosphaneN86PC(Br)=C(Cl)FInChI=1S/C2H2BrClFP/c3-1(6)2(4)5/h6H2InChIKey=HPBAKANTJSEOLJ-UHFFFAOYSA-N145.7Ex 145.69(BP est) -50.39(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(Cl)F -50.4PredN
PC(Cl)=C(Br)F9858191.364C2H2BrClFP(2-bromo-1-chloro-2-fluorovinyl)phosphaneN86PC(Cl)=C(Br)FInChI=1S/C2H2BrClFP/c3-1(5)2(4)6/h6H2InChIKey=OOLOMLCBPGDUOQ-UHFFFAOYSA-N145.7Ex 145.69(BP est) -50.39(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(Br)F -50.4PredN
PC(F)=C(Br)Cl9859191.364C2H2BrClFP(2-bromo-2-chloro-1-fluorovinyl)phosphaneN86PC(F)=C(Br)ClInChI=1S/C2H2BrClFP/c3-1(4)2(5)6/h6H2InChIKey=ONHIXIGQSOIWFU-UHFFFAOYSA-N145.7Ex 145.69(BP est) -50.39(MP est) ----(BP exp) ----(MP exp) PC(F)=C(Br)Cl -50.4PredN
FC1C(Cl)(Br)P19860191.364C2H2BrClFP2-bromo-2-chloro-3-fluorophosphiraneN86FC1C(Cl)(Br)P1InChI=1S/C2H2BrClFP/c3-2(4)1(5)6-2/h1,6HInChIKey=MRGIATHERRWXJK-UHFFFAOYSA-N116.7Ex 116.68(BP est) -29.98(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(Br)P1 -30PredN
ClC1C(F)(Br)P19861191.364C2H2BrClFP2-bromo-3-chloro-2-fluorophosphiraneN86ClC1C(F)(Br)P1InChI=1S/C2H2BrClFP/c3-2(5)1(4)6-2/h1,6HInChIKey=XDMCGRIACRXSKS-UHFFFAOYSA-N129.3Ex 129.27(BP est) -26.31(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(Br)P1 -26.3PredN
BrC1C(F)(Cl)P19862191.364C2H2BrClFP3-bromo-2-chloro-2-fluorophosphiraneN86BrC1C(F)(Cl)P1InChI=1S/C2H2BrClFP/c3-1-2(4,5)6-1/h1,6HInChIKey=XCVNGJUUZGUDDN-UHFFFAOYSA-N116.7Ex 116.68(BP est) -29.98(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(Cl)P1 -30PredN
BrC(POC)Cl9868191.389C2H5BrClOP(bromochloromethyl)(methoxy)phosphaneN116BrC(POC)ClInChI=1S/C2H5BrClOP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=TZLNZDODDFHROZ-UHFFFAOYSA-N153.4Ex 153.41(BP est) -36.50(MP est) ----(BP exp) ----(MP exp) BrC(POC)Cl -36.5PredN
O=P(C)C(Br)Cl9869191.389C2H5BrClOP(bromochloromethyl)(methyl)phosphine oxideN116O=P(C)C(Br)ClInChI=1S/C2H5BrClOP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=LBGNFGKRQVIMAL-UHFFFAOYSA-N189.7Ex 189.68(BP est) -19.52(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Br)Cl -19.5PredN
O=P(CCl)CBr9871191.389C2H5BrClOP(bromomethyl)(chloromethyl)phosphine oxideN116O=P(CCl)CBrInChI=1S/C2H5BrClOP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=OPRXJRUQOASIIR-UHFFFAOYSA-N212.5Ex 212.49(BP est) -5.37(MP est) ----(BP exp) ----(MP exp) O=P(CCl)CBr -5.4PredN
NC(Cl)(I)9872191.396CH3ClINchloroiodomethanamineN74NC(Cl)(I)InChI=1S/CH3ClIN/c2-1(3)4/h1H,4H2InChIKey=BFNCBHOJPMCZAS-UHFFFAOYSA-N162.1Ex 162.11(BP est) -17.45(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I) -17.5PredN
FC1C(Br)(Cl)S19873191.442C2HBrClFS2-bromo-2-chloro-3-fluorothiiraneN76FC1C(Br)(Cl)S1InChI=1S/C2HBrClFS/c3-2(4)1(5)6-2/h1HInChIKey=SQLDIRXOALIFOE-UHFFFAOYSA-N143.5Ex 143.54(BP est) 7.32(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Cl)S1 7.3PredN
ClC1C(Br)(F)S19874191.442C2HBrClFS2-bromo-3-chloro-2-fluorothiiraneN76ClC1C(Br)(F)S1InChI=1S/C2HBrClFS/c3-2(5)1(4)6-2/h1HInChIKey=ZUIWNJNIZOSSML-UHFFFAOYSA-N155.6Ex 155.55(BP est) 10.83(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(F)S1 10.8PredN
BrC1C(Cl)(F)S19875191.442C2HBrClFS3-bromo-2-chloro-2-fluorothiiraneN76BrC1C(Cl)(F)S1InChI=1S/C2HBrClFS/c3-1-2(4,5)6-1/h1HInChIKey=XKVDCAITRLQVFI-UHFFFAOYSA-N143.5Ex 143.54(BP est) 7.32(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(F)S1 7.3PredN
C(Br)(Br)(F)9877191.825CHBr2FdibromofluoromethaneN54C(Br)(Br)(F)InChI=1S/CHBr2F/c2-1(3)4/h1HInChIKey=LTUTVFXOEGMHMP-UHFFFAOYSA-N64.7Ex 95.65(BP est) -62.38(MP est) 64.90(BP exp) -78.00(MP exp) C(Br)(Br)(F) -78ExptN
C(=O)C(Br)(Cl)(Cl)9878191.833C2HBrCl2O2-bromo-2,2-dichloroacetaldehydeN76C(=O)C(Br)(Cl)(Cl)InChI=1S/C2HBrCl2O/c3-2(4,5)1-6/h1HInChIKey=VHCWNORMONAZKG-UHFFFAOYSA-N163.6Ex 163.62(BP est) -7.46(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(Cl)(Cl) -7.5PredN
ClC1C(Br)(Cl)O19879191.833C2HBrCl2O2-bromo-2,3-dichlorooxiraneN76ClC1C(Br)(Cl)O1InChI=1S/C2HBrCl2O/c3-2(5)1(4)6-2/h1HInChIKey=YCMATOICPKEZKG-UHFFFAOYSA-N155.6Ex 155.63(BP est) 0.08(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Cl)O1 0.1PredN
BrC1C(Cl)(Cl)O19880191.833C2HBrCl2O3-bromo-2,2-dichlorooxiraneN76BrC1C(Cl)(Cl)O1InChI=1S/C2HBrCl2O/c3-1-2(4,5)6-1/h1HInChIKey=JPYTXFZWWXTNKW-UHFFFAOYSA-N143.6Ex 143.61(BP est) -3.43(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(Cl)O1 -3.4PredN
CCC(Cl)(Cl)Br9881191.877C3H5BrCl21-bromo-1,1-dichloropropaneN116CCC(Cl)(Cl)BrInChI=1S/C3H5BrCl2/c1-2-3(4,5)6/h2H2,1H3InChIKey=RPVDFCUXXDIZCH-UHFFFAOYSA-N129.6Ex 129.56(BP est) -32.77(MP est) ----(BP exp) ----(MP exp) CCC(Cl)(Cl)Br -32.8PredN
CC(C(Cl)Br)Cl9882191.877C3H5BrCl21-bromo-1,2-dichloropropaneN116CC(C(Cl)Br)ClInChI=1S/C3H5BrCl2/c1-2(5)3(4)6/h2-3H,1H3InChIKey=JUJFMLWMVKDEHI-UHFFFAOYSA-N149.4Ex 149.39(BP est) -43.19(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)Br)Cl -43.2PredN
C(Cl)(CC(Br)Cl)9883191.877C3H5BrCl21-bromo-1,3-dichloropropaneN116C(Cl)(CC(Br)Cl)InChI=1S/C3H5BrCl2/c4-3(6)1-2-5/h3H,1-2H2InChIKey=FYTOHQVGQPKKTD-UHFFFAOYSA-N174.2Ex 174.17(BP est) -28.46(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(Br)Cl) -28.5PredN
CC(Cl)(CBr)Cl9884191.877C3H5BrCl21-bromo-2,2-dichloropropaneN116CC(Cl)(CBr)ClInChI=1S/C3H5BrCl2/c1-3(5,6)2-4/h2H2,1H3InChIKey=YUPJXMPHJYZIRW-UHFFFAOYSA-N129.6Ex 129.56(BP est) -32.77(MP est) ----(BP exp) ----(MP exp) CC(Cl)(CBr)Cl -32.8PredN
C(Cl)(C(Cl)CBr)9885191.877C3H5BrCl21-bromo-2,3-dichloropropaneN116C(Cl)(C(Cl)CBr)InChI=1S/C3H5BrCl2/c4-1-3(6)2-5/h3H,1-2H2InChIKey=CSZDDLQVWPKXTC-UHFFFAOYSA-N174.2Ex 174.17(BP est) -28.46(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)CBr) -28.5PredN
CC(C(Cl)Cl)Br9886191.877C3H5BrCl22-bromo-1,1-dichloropropaneN116CC(C(Cl)Cl)BrInChI=1S/C3H5BrCl2/c1-2(4)3(5)6/h2-3H,1H3InChIKey=IPJIVVBEXFDZMD-UHFFFAOYSA-N149.4Ex 149.39(BP est) -43.19(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)Cl)Br -43.2PredN
CC(Cl)(CCl)Br9887191.877C3H5BrCl22-bromo-1,2-dichloropropaneN116CC(Cl)(CCl)BrInChI=1S/C3H5BrCl2/c1-3(4,6)2-5/h2H2,1H3InChIKey=AUTDPWYMNRAXHM-UHFFFAOYSA-N154.0Ex 153.97(BP est) -25.65(MP est) ----(BP exp) ----(MP exp) CC(Cl)(CCl)Br -25.7PredN
C(Cl)(C(Br)CCl)9888191.877C3H5BrCl22-bromo-1,3-dichloropropaneN116C(Cl)(C(Br)CCl)InChI=1S/C3H5BrCl2/c4-3(1-5)2-6/h3H,1-2H2InChIKey=PVYQWLHAHRIROF-UHFFFAOYSA-N185.5Ex 185.52(BP est) -25.14(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)CCl) -25.1PredN
C(Br)(CC(Cl)Cl)9889191.877C3H5BrCl23-bromo-1,1-dichloropropaneN116C(Br)(CC(Cl)Cl)InChI=1S/C3H5BrCl2/c4-2-1-3(5)6/h3H,1-2H2InChIKey=BNBJWYVNNOQIRB-UHFFFAOYSA-N162.5Ex 162.54(BP est) -31.85(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(Cl)Cl) -31.9PredN
PC(F)I9890191.912CH3FIP(fluoroiodomethyl)phosphaneN74PC(F)IInChI=1S/CH3FIP/c2-1(3)4/h1H,4H2InChIKey=MSGACGSXYPNVPZ-UHFFFAOYSA-N113.6Ex 113.59(BP est) -72.22(MP est) ----(BP exp) ----(MP exp) PC(F)I -72.2PredN
C(C(F)(F)I)9891191.947C2H3F2I1,1-difluoro-1-iodoethaneN85C(C(F)(F)I)InChI=1S/C2H3F2I/c1-2(3,4)5/h1H3InChIKey=LBRHUMBEGYYRBE-UHFFFAOYSA-N69.0Ex 69.01(BP est) -86.28(MP est) ----(BP exp) ----(MP exp) C(C(F)(F)I) -86.3PredN
C(I)(C(F)F)9892191.947C2H3F2I1,1-difluoro-2-iodoethaneN85C(I)(C(F)F)InChI=1S/C2H3F2I/c3-2(4)1-5/h2H,1H2InChIKey=VMFCTZUYOILUMY-UHFFFAOYSA-N78.9Ex 78.92(BP est) -92.10(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)F) -92.1PredN
C(F)(C(F)I)9893191.947C2H3F2I1,2-difluoro-1-iodoethaneN85C(F)(C(F)I)InChI=1S/C2H3F2I/c3-1-2(4)5/h2H,1H2InChIKey=XHMJGNMNFYVRFR-UHFFFAOYSA-N78.9Ex 78.92(BP est) -92.10(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)I) -92.1PredN
IC#CC1=CO19894191.955C4HIO2-(iodoethynyl)oxireneN76IC#CC1=CO1InChI=1S/C4HIO/c5-2-1-4-3-6-4/h3HInChIKey=GYUAUANRESKBLX-UHFFFAOYSA-N189.8Ex 189.75(BP est) 19.82(MP est) ----(BP exp) ----(MP exp) IC#CC1=CO1 19.8PredN
IC(O1)=C1C#C9895191.955C4HIO2-ethynyl-3-iodooxireneN76IC(O1)=C1C#CInChI=1S/C4HIO/c1-2-3-4(5)6-3/h1HInChIKey=FHFVEOLOEONEAD-UHFFFAOYSA-N180.3Ex 180.31(BP est) 16.44(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1C#C 16.4PredN
SC(F)(I)9896191.99CH2FISfluoroiodomethanethiolN64SC(F)(I)InChI=1S/CH2FIS/c2-1(3)4/h1,4HInChIKey=PXBACFXLPLRQOM-UHFFFAOYSA-N135.1Ex 135.13(BP est) -63.39(MP est) ----(BP exp) ----(MP exp) SC(F)(I) -63.4PredN
IC#CC1CC19897191.999C5H5I(iodoethynyl)cyclopropaneN116IC#CC1CC1InChI=1S/C5H5I/c6-4-3-5-1-2-5/h5H,1-2H2InChIKey=OSVKYZQZFFKDMI-UHFFFAOYSA-N177.3Ex 177.26(BP est) 22.44(MP est) ----(BP exp) ----(MP exp) IC#CC1CC1 22.4PredN
IC(C1=CC1)=C9898191.999C5H5I1-(1-iodovinyl)cycloprop-1-eneN116IC(C1=CC1)=CInChI=1S/C5H5I/c1-4(6)5-2-3-5/h2H,1,3H2InChIKey=ZSEQBRTVUPUNTK-UHFFFAOYSA-N161.6Ex 161.61(BP est) -34.28(MP est) ----(BP exp) ----(MP exp) IC(C1=CC1)=C -34.3PredN
IC=CC1=CC19899191.999C5H5I1-(2-iodovinyl)cycloprop-1-eneN116IC=CC1=CC1InChI=1S/C5H5I/c6-4-3-5-1-2-5/h1,3-4H,2H2InChIKey=WUQMQRYQBZEMOJ-UHFFFAOYSA-N175.6Ex 175.56(BP est) -24.88(MP est) ----(BP exp) ----(MP exp) IC=CC1=CC1 -24.9PredN
IC1(C#C)CC19900191.999C5H5I1-ethynyl-1-iodocyclopropaneN116IC1(C#C)CC1InChI=1S/C5H5I/c1-2-5(6)3-4-5/h1H,3-4H2InChIKey=GVQQHNFZAWITFB-UHFFFAOYSA-N158.1Ex 158.05(BP est) -0.78(MP est) ----(BP exp) ----(MP exp) IC1(C#C)CC1 -0.8PredN
IC1CC1C#C9901191.999C5H5I1-ethynyl-2-iodocyclopropaneN116IC1CC1C#CInChI=1S/C5H5I/c1-2-4-3-5(4)6/h1,4-5H,3H2InChIKey=GGNDRSMPPGZOQK-UHFFFAOYSA-N163.2Ex 163.19(BP est) -13.35(MP est) ----(BP exp) ----(MP exp) IC1CC1C#C -13.4PredN
C(I)=C(C)(C#C)9902191.999C5H5I1-iodo-2-methylbut-1-en-3-yneN116C(I)=C(C)(C#C)InChI=1S/C5H5I/c1-3-5(2)4-6/h1,4H,2H3InChIKey=HKVMMXJYOYNZOX-UHFFFAOYSA-N166.5Ex 166.51(BP est) -28.75(MP est) ----(BP exp) ----(MP exp) C(I)=C(C)(C#C) -28.8PredN
IC(C1)=C1C=C9903191.999C5H5I1-iodo-2-vinylcycloprop-1-eneN116IC(C1)=C1C=CInChI=1S/C5H5I/c1-2-4-3-5(4)6/h2H,1,3H2InChIKey=JQUHYGLRHOKOMD-UHFFFAOYSA-N165.6Ex 165.63(BP est) -19.86(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1C=C -19.9PredN
C=C(C1)(C=C1I)9904191.999C5H5I1-iodo-3-methylenecyclobut-1-eneN116C=C(C1)(C=C1I)InChI=1S/C5H5I/c1-4-2-5(6)3-4/h2H,1,3H2InChIKey=XZBBWEGIOIXMDG-UHFFFAOYSA-N165.7Ex 165.70(BP est) -20.14(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C=C1I) -20.1PredN
IC1=CC1C=C9905191.999C5H5I1-iodo-3-vinylcycloprop-1-eneN116IC1=CC1C=CInChI=1S/C5H5I/c1-2-4-3-5(4)6/h2-4H,1H2InChIKey=YEVLCUBPEXYCFL-UHFFFAOYSA-N161.2Ex 161.24(BP est) -29.52(MP est) ----(BP exp) ----(MP exp) IC1=CC1C=C -29.5PredN
C=C(C1)(C(I)=C1)9906191.999C5H5I1-iodo-4-methylenecyclobut-1-eneN116C=C(C1)(C(I)=C1)InChI=1S/C5H5I/c1-4-2-3-5(4)6/h3H,1-2H2InChIKey=YAUXDMZDMMINKA-UHFFFAOYSA-N165.7Ex 165.70(BP est) -20.14(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C(I)=C1) -20.1PredN
IC12C=C1CC29907191.999C5H5I1-iodobicyclo[2.1.0]pent-4-eneN116IC12C=C1CC2InChI=1S/C5H5I/c6-5-2-1-4(5)3-5/h3H,1-2H2InChIKey=HOJJVIMDIFETOU-UHFFFAOYSA-N159.4Ex 159.41(BP est) -4.38(MP est) ----(BP exp) ----(MP exp) IC12C=C1CC2 -4.4PredN
C(C=C1)(C(I)=C1)9908191.999C5H5I1-iodocyclopenta-1,3-dieneN116C(C=C1)(C(I)=C1)InChI=1S/C5H5I/c6-5-3-1-2-4-5/h1-3H,4H2InChIKey=KMIBEPKAWCWFMW-UHFFFAOYSA-N175.7Ex 175.70(BP est) -25.44(MP est) ----(BP exp) ----(MP exp) C(C=C1)(C(I)=C1) -25.4PredN
C(C)#C(C=CI)9909191.999C5H5I1-iodopent-1-en-3-yneN116C(C)#C(C=CI)InChI=1S/C5H5I/c1-2-3-4-5-6/h4-5H,1H3InChIKey=LFNSJCBKEBASAQ-UHFFFAOYSA-N180.1Ex 180.13(BP est) 11.77(MP est) ----(BP exp) ----(MP exp) C(C)#C(C=CI) 11.8PredN
C(C=CI)(C#C)9910191.999C5H5I1-iodopent-1-en-4-yneN116C(C=CI)(C#C)InChI=1S/C5H5I/c1-2-3-4-5-6/h1,4-5H,3H2InChIKey=QHBMHIKSPOECTI-UHFFFAOYSA-N172.3Ex 172.31(BP est) -20.07(MP est) ----(BP exp) ----(MP exp) C(C=CI)(C#C) -20.1PredN
C(C)=C(C#CI)9911191.999C5H5I1-iodopent-3-en-1-yneN116C(C)=C(C#CI)InChI=1S/C5H5I/c1-2-3-4-5-6/h2-3H,1H3InChIKey=GZLZYOIRTVKMMZ-UHFFFAOYSA-N180.1Ex 180.13(BP est) 11.77(MP est) ----(BP exp) ----(MP exp) C(C)=C(C#CI) 11.8PredN
IC1=CC12CC29912191.999C5H5I1-iodospiro[2.2]pent-1-eneN116IC1=CC12CC2InChI=1S/C5H5I/c6-4-3-5(4)1-2-5/h3H,1-2H2InChIKey=ZXZUYUHWVCCTKR-UHFFFAOYSA-N159.4Ex 159.41(BP est) -4.38(MP est) ----(BP exp) ----(MP exp) IC1=CC12CC2 -4.4PredN
C=C(C#C)CI9913191.999C5H5I2-(iodomethyl)but-1-en-3-yneN116C=C(C#C)CIInChI=1S/C5H5I/c1-3-5(2)4-6/h1H,2,4H2InChIKey=HHIQXKFAJXXFJO-UHFFFAOYSA-N158.3Ex 158.26(BP est) -29.50(MP est) ----(BP exp) ----(MP exp) C=C(C#C)CI -29.5PredN
IC1CC2=C1C29914191.999C5H5I2-iodobicyclo[2.1.0]pent-1(4)-eneN116IC1CC2=C1C2InChI=1S/C5H5I/c6-5-2-3-1-4(3)5/h5H,1-2H2InChIKey=DVNCRVDMKYWHSY-UHFFFAOYSA-N168.9Ex 168.90(BP est) -7.30(MP est) ----(BP exp) ----(MP exp) IC1CC2=C1C2 -7.3PredN
IC1CC2=CC219915191.999C5H5I2-iodobicyclo[2.1.0]pent-4-eneN116IC1CC2=CC21InChI=1S/C5H5I/c6-5-2-3-1-4(3)5/h1,4-5H,2H2InChIKey=YWCSGWHOJYMJOV-UHFFFAOYSA-N164.5Ex 164.54(BP est) -16.95(MP est) ----(BP exp) ----(MP exp) IC1CC2=CC21 -17PredN
C(C=C1)(C=C1I)9916191.999C5H5I2-iodocyclopenta-1,3-dieneN116C(C=C1)(C=C1I)InChI=1S/C5H5I/c6-5-3-1-2-4-5/h1,3-4H,2H2InChIKey=PGQCMNXDZOLRQA-UHFFFAOYSA-N175.7Ex 175.70(BP est) -25.44(MP est) ----(BP exp) ----(MP exp) C(C=C1)(C=C1I) -25.4PredN
C(C)#C(C(I)=C)9917191.999C5H5I2-iodopent-1-en-3-yneN116C(C)#C(C(I)=C)InChI=1S/C5H5I/c1-3-4-5(2)6/h2H2,1H3InChIKey=BVGOFDDCCDJSNP-UHFFFAOYSA-N166.3Ex 166.31(BP est) 2.42(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(I)=C) 2.4PredN
IC(CC#C)=C9918191.999C5H5I2-iodopent-1-en-4-yneN116IC(CC#C)=CInChI=1S/C5H5I/c1-3-4-5(2)6/h1H,2,4H2InChIKey=KIOJDOZWUBSXGA-UHFFFAOYSA-N158.3Ex 158.26(BP est) -29.50(MP est) ----(BP exp) ----(MP exp) IC(CC#C)=C -29.5PredN
IC(C1C=C1)=C9919191.999C5H5I3-(1-iodovinyl)cycloprop-1-eneN116IC(C1C=C1)=CInChI=1S/C5H5I/c1-4(6)5-2-3-5/h2-3,5H,1H2InChIKey=QRCGEAWJNGYTBD-UHFFFAOYSA-N157.2Ex 157.18(BP est) -43.95(MP est) ----(BP exp) ----(MP exp) IC(C1C=C1)=C -44PredN
IC=CC1C=C19920191.999C5H5I3-(2-iodovinyl)cycloprop-1-eneN116IC=CC1C=C1InChI=1S/C5H5I/c6-4-3-5-1-2-5/h1-5HInChIKey=WIDQENOSFHENAT-UHFFFAOYSA-N171.3Ex 171.26(BP est) -34.52(MP est) ----(BP exp) ----(MP exp) IC=CC1C=C1 -34.5PredN
C(I)=C(C1)(C=C1)9921191.999C5H5I3-(iodomethylene)cyclobut-1-eneN116C(I)=C(C1)(C=C1)InChI=1S/C5H5I/c6-4-5-2-1-3-5/h1-2,4H,3H2InChIKey=FHQLSQNFYWCSFW-UHFFFAOYSA-N175.6Ex 175.63(BP est) -25.16(MP est) ----(BP exp) ----(MP exp) C(I)=C(C1)(C=C1) -25.2PredN
C=CC1=CC1I9922191.999C5H5I3-iodo-1-vinylcycloprop-1-eneN116C=CC1=CC1IInChI=1S/C5H5I/c1-2-4-3-5(4)6/h2-3,5H,1H2InChIKey=CKXASIMJKHNOIN-UHFFFAOYSA-N161.2Ex 161.24(BP est) -29.52(MP est) ----(BP exp) ----(MP exp) C=CC1=CC1I -29.5PredN
IC1(C=C)C=C19923191.999C5H5I3-iodo-3-vinylcycloprop-1-eneN116IC1(C=C)C=C1InChI=1S/C5H5I/c1-2-5(6)3-4-5/h2-4H,1H2InChIKey=QLKHXBZNJGDKQS-UHFFFAOYSA-N151.6Ex 151.61(BP est) -26.64(MP est) ----(BP exp) ----(MP exp) IC1(C=C)C=C1 -26.6PredN
C=C(C1I)(C=C1)9924191.999C5H5I3-iodo-4-methylenecyclobut-1-eneN116C=C(C1I)(C=C1)InChI=1S/C5H5I/c1-4-2-3-5(4)6/h2-3,5H,1H2InChIKey=CWSUVQGQOKOPHB-UHFFFAOYSA-N161.3Ex 161.31(BP est) -29.80(MP est) ----(BP exp) ----(MP exp) C=C(C1I)(C=C1) -29.8PredN
IC1C2=CC2C19925191.999C5H5I3-iodobicyclo[2.1.0]pent-4-eneN116IC1C2=CC2C1InChI=1S/C5H5I/c6-5-2-3-1-4(3)5/h1,3,5H,2H2InChIKey=BBDJQTUACRHENZ-UHFFFAOYSA-N164.5Ex 164.54(BP est) -16.95(MP est) ----(BP exp) ----(MP exp) IC1C2=CC2C1 -17PredN
IC(C#C)C=C9926191.999C5H5I3-iodopent-1-en-4-yneN116IC(C#C)C=CInChI=1S/C5H5I/c1-3-5(6)4-2/h1,4-5H,2H2InChIKey=CJDPKCVRUNPMHB-UHFFFAOYSA-N151.1Ex 151.05(BP est) -32.12(MP est) ----(BP exp) ----(MP exp) IC(C#C)C=C -32.1PredN
C(C)=C(I)(C#C)9927191.999C5H5I3-iodopent-3-en-1-yneN116C(C)=C(I)(C#C)InChI=1S/C5H5I/c1-3-5(6)4-2/h1,4H,2H3InChIKey=XAAMFOHASIBYRU-UHFFFAOYSA-N166.5Ex 166.51(BP est) -28.75(MP est) ----(BP exp) ----(MP exp) C(C)=C(I)(C#C) -28.8PredN
C=C(C)(C#CI)9928191.999C5H5I4-iodo-2-methylbut-1-en-3-yneN116C=C(C)(C#CI)InChI=1S/C5H5I/c1-5(2)3-4-6/h1H2,2H3InChIKey=MYRQLMADHQGPKU-UHFFFAOYSA-N166.3Ex 166.31(BP est) 2.42(MP est) ----(BP exp) ----(MP exp) C=C(C)(C#CI) 2.4PredN
C(I)(C)=C(C#C)9929191.999C5H5I4-iodopent-3-en-1-yneN116C(I)(C)=C(C#C)InChI=1S/C5H5I/c1-3-4-5(2)6/h1,4H,2H3InChIKey=JDXRZSMHNRJTQO-UHFFFAOYSA-N166.5Ex 166.51(BP est) -28.75(MP est) ----(BP exp) ----(MP exp) C(I)(C)=C(C#C) -28.8PredN
IC1C2(C1)C=C29930191.999C5H5I4-iodospiro[2.2]pent-1-eneN116IC1C2(C1)C=C2InChI=1S/C5H5I/c6-4-3-5(4)1-2-5/h1-2,4H,3H2InChIKey=FCRDBNKUCSLKIW-UHFFFAOYSA-N155.0Ex 154.97(BP est) -14.05(MP est) ----(BP exp) ----(MP exp) IC1C2(C1)C=C2 -14.1PredN
IC1C2=C1CC29931191.999C5H5I5-iodobicyclo[2.1.0]pent-1(4)-eneN116IC1C2=C1CC2InChI=1S/C5H5I/c6-5-3-1-2-4(3)5/h5H,1-2H2InChIKey=KDHWETZTZGYWDP-UHFFFAOYSA-N168.9Ex 168.90(BP est) -7.30(MP est) ----(BP exp) ----(MP exp) IC1C2=C1CC2 -7.3PredN
IC1=C2CCC129932191.999C5H5I5-iodobicyclo[2.1.0]pent-4-eneN116IC1=C2CCC12InChI=1S/C5H5I/c6-5-3-1-2-4(3)5/h3H,1-2H2InChIKey=GRHYTIVKQHGHGV-UHFFFAOYSA-N168.9Ex 168.90(BP est) -7.30(MP est) ----(BP exp) ----(MP exp) IC1=C2CCC12 -7.3PredN
C(I)(C=C1)(C=C1)9933191.999C5H5I5-iodocyclopenta-1,3-dieneN116C(I)(C=C1)(C=C1)InChI=1S/C5H5I/c6-5-3-1-2-4-5/h1-5HInChIKey=CFLVILAXMASXPM-UHFFFAOYSA-N171.4Ex 171.40(BP est) -35.08(MP est) ----(BP exp) ----(MP exp) C(I)(C=C1)(C=C1) -35.1PredN
C(CI)#C(C=C)9934191.999C5H5I5-iodopent-1-en-3-yneN116C(CI)#C(C=C)InChI=1S/C5H5I/c1-2-3-4-5-6/h2H,1,5H2InChIKey=ZOAKTWXEJOEXNY-UHFFFAOYSA-N172.1Ex 172.11(BP est) 11.09(MP est) ----(BP exp) ----(MP exp) C(CI)#C(C=C) 11.1PredN
C(C=C)(C#CI)9935191.999C5H5I5-iodopent-1-en-4-yneN116C(C=C)(C#CI)InChI=1S/C5H5I/c1-2-3-4-5-6/h2H,1,3H2InChIKey=ZYCDKTRANQZRGV-UHFFFAOYSA-N172.1Ex 172.11(BP est) 11.09(MP est) ----(BP exp) ----(MP exp) C(C=C)(C#CI) 11.1PredN
C(CI)=C(C#C)9936191.999C5H5I5-iodopent-3-en-1-yneN116C(CI)=C(C#C)InChI=1S/C5H5I/c1-2-3-4-5-6/h1,3-4H,5H2InChIKey=YAESZOOXNBHGHI-UHFFFAOYSA-N172.3Ex 172.31(BP est) -20.07(MP est) ----(BP exp) ----(MP exp) C(CI)=C(C#C) -20.1PredN
OC(Cl)(I)9937192.38CH2ClIOchloroiodomethanolN64OC(Cl)(I)InChI=1S/CH2ClIO/c2-1(3)4/h1,4HInChIKey=GDDZCSJBBKWYBQ-UHFFFAOYSA-N178.5Ex 178.45(BP est) -23.90(MP est) ----(BP exp) ----(MP exp) OC(Cl)(I) -23.9PredN
CNC(Cl)(Cl)Br9941192.865C2H4BrCl2N1-bromo-1,1-dichloro-N-methylmethanamineN106CNC(Cl)(Cl)BrInChI=1S/C2H4BrCl2N/c1-6-2(3,4)5/h6H,1H3InChIKey=CEGRAHCFGYRSEA-UHFFFAOYSA-N149.1Ex 149.11(BP est) -6.37(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(Cl)Br -6.4PredN
NC(Br)(Cl)(CCl)9942192.865C2H4BrCl2N1-bromo-1,2-dichloroethan-1-amineN106NC(Br)(Cl)(CCl)InChI=1S/C2H4BrCl2N/c3-2(5,6)1-4/h1,6H2InChIKey=IVUUJQFLGQQTLQ-UHFFFAOYSA-N188.9Ex 188.90(BP est) 20.55(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)(CCl) 20.6PredN
C(Cl)NC(Br)(Cl)9943192.865C2H4BrCl2N1-bromo-1-chloro-N-(chloromethyl)methanamineN106C(Cl)NC(Br)(Cl)InChI=1S/C2H4BrCl2N/c3-2(5)6-1-4/h2,6H,1H2InChIKey=ZEJXSRNIVJKQGS-UHFFFAOYSA-N192.1Ex 192.13(BP est) -2.52(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Br)(Cl) -2.5PredN
NC(Br)(C(Cl)Cl)9944192.865C2H4BrCl2N1-bromo-2,2-dichloroethan-1-amineN106NC(Br)(C(Cl)Cl)InChI=1S/C2H4BrCl2N/c3-1(6)2(4)5/h1-2H,6H2InChIKey=IBPDZGSPIYDRHY-UHFFFAOYSA-N184.6Ex 184.64(BP est) 3.09(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Cl)Cl) 3.1PredN
NC(Cl)(Cl)(CBr)9945192.865C2H4BrCl2N2-bromo-1,1-dichloroethan-1-amineN106NC(Cl)(Cl)(CBr)InChI=1S/C2H4BrCl2N/c3-1-2(4,5)6/h1,6H2InChIKey=YVVMNOYBESNJTL-UHFFFAOYSA-N166.1Ex 166.12(BP est) 13.90(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)(CBr) 13.9PredN
NC(Cl)(C(Br)Cl)9946192.865C2H4BrCl2N2-bromo-1,2-dichloroethan-1-amineN106NC(Cl)(C(Br)Cl)InChI=1S/C2H4BrCl2N/c3-1(4)2(5)6/h1-2H,6H2InChIKey=WRSIEJNNEBLPEY-UHFFFAOYSA-N184.6Ex 184.64(BP est) 3.09(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Br)Cl) 3.1PredN
NC(C(Br)(Cl)Cl)9947192.865C2H4BrCl2N2-bromo-2,2-dichloroethan-1-amineN106NC(C(Br)(Cl)Cl)InChI=1S/C2H4BrCl2N/c3-2(4,5)1-6/h1,6H2InChIKey=BECXKWLDRIWNBU-UHFFFAOYSA-N166.1Ex 166.12(BP est) 13.90(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(Cl)Cl) 13.9PredN
C(Br)NC(Cl)(Cl)9948192.865C2H4BrCl2NN-(bromomethyl)-1,1-dichloromethanamineN106C(Br)NC(Cl)(Cl)InChI=1S/C2H4BrCl2N/c3-1-6-2(4)5/h2,6H,1H2InChIKey=SMNIOOAGCFKNQF-UHFFFAOYSA-N180.9Ex 180.93(BP est) -5.79(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Cl)(Cl) -5.8PredN
NC(F)(F)(I)9953192.935CH2F2INdifluoroiodomethanamineN75NC(F)(F)(I)InChI=1S/CH2F2IN/c2-1(3,4)5/h5H2InChIKey=YSYUMCXDODWSNL-UHFFFAOYSA-N109.3Ex 109.34(BP est) -38.51(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(I) -38.5PredN
IC(C1=CN1)=C9954192.987C4H4IN2-(1-iodovinyl)-1H-azirineN106IC(C1=CN1)=CInChI=1S/C4H4IN/c1-3(5)4-2-6-4/h2,6H,1H2InChIKey=ZZNZJJLZKRVKTF-UHFFFAOYSA-N195.2Ex 195.24(BP est) 22.42(MP est) ----(BP exp) ----(MP exp) IC(C1=CN1)=C 22.4PredN
IC=CC1=CN19955192.987C4H4IN2-(2-iodovinyl)-1H-azirineN106IC=CC1=CN1InChI=1S/C4H4IN/c5-2-1-4-3-6-4/h1-3,6HInChIKey=ZIZABXOEHIPDFC-UHFFFAOYSA-N208.2Ex 208.24(BP est) 23.67(MP est) ----(BP exp) ----(MP exp) IC=CC1=CN1 23.7PredN
IC#CC1CN19956192.987C4H4IN2-(iodoethynyl)aziridineN106IC#CC1CN1InChI=1S/C4H4IN/c5-2-1-4-3-6-4/h4,6H,3H2InChIKey=NPGJLLYZIWKWEX-UHFFFAOYSA-N209.8Ex 209.82(BP est) 43.84(MP est) ----(BP exp) ----(MP exp) IC#CC1CN1 43.8PredN
IC1(C#C)CN19957192.987C4H4IN2-ethynyl-2-iodoaziridineN106IC1(C#C)CN1InChI=1S/C4H4IN/c1-2-4(5)3-6-4/h1,6H,3H2InChIKey=XKCPIWWDBPDQGD-UHFFFAOYSA-N191.9Ex 191.92(BP est) 27.19(MP est) ----(BP exp) ----(MP exp) IC1(C#C)CN1 27.2PredN
IC1C(C#C)N19958192.987C4H4IN2-ethynyl-3-iodoaziridineN106IC1C(C#C)N1InChI=1S/C4H4IN/c1-2-3-4(5)6-3/h1,3-4,6HInChIKey=QRICWEAXEODEJJ-UHFFFAOYSA-N196.7Ex 196.72(BP est) 22.26(MP est) ----(BP exp) ----(MP exp) IC1C(C#C)N1 22.3PredN
IC(N1)=C1C=C9959192.987C4H4IN2-iodo-3-vinyl-1H-azirineN106IC(N1)=C1C=CInChI=1S/C4H4IN/c1-2-3-4(5)6-3/h2,6H,1H2InChIKey=VTDOGHUQNQABAU-UHFFFAOYSA-N199.0Ex 198.99(BP est) 25.35(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1C=C 25.4PredN
IC1CC2=C1N29960192.987C4H4IN2-iodo-5-azabicyclo[2.1.0]pent-1(4)-eneN106IC1CC2=C1N2InChI=1S/C4H4IN/c5-2-1-3-4(2)6-3/h2,6H,1H2InChIKey=GLCLRTQIEBRVAB-UHFFFAOYSA-N202.0Ex 202.03(BP est) 26.78(MP est) ----(BP exp) ----(MP exp) IC1CC2=C1N2 26.8PredN
O=PC(F)(Br)Cl9970193.336CBrClFOP(bromochlorofluoromethyl)(oxo)phosphaneN66O=PC(F)(Br)ClInChI=1S/CBrClFOP/c2-1(3,4)6-5InChIKey=NYWIZEDXJOSDLW-UHFFFAOYSA-N152.6Ex 152.63(BP est) -18.78(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Br)Cl -18.8PredN
O=P(C(Br)Cl)O9971193.361CH3BrClO2P(bromochloromethyl)phosphinic acidN96O=P(C(Br)Cl)OInChI=1S/CH3BrClO2P/c2-1(3)6(4)5/h1,6H,(H,4,5)InChIKey=KKVDOTHWQQKKHU-UHFFFAOYSA-N255.1Ex 255.11(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) O=P(C(Br)Cl)O 24.4PredN
PC(CF)(Br)Cl9972193.38C2H4BrClFP(1-bromo-1-chloro-2-fluoroethyl)phosphaneN106PC(CF)(Br)ClInChI=1S/C2H4BrClFP/c3-2(4,6)1-5/h1,6H2InChIKey=SJGFIHBJXLIJRP-UHFFFAOYSA-N130.5Ex 130.53(BP est) -37.10(MP est) ----(BP exp) ----(MP exp) PC(CF)(Br)Cl -37.1PredN
PC(CCl)(Br)F9973193.38C2H4BrClFP(1-bromo-2-chloro-1-fluoroethyl)phosphaneN106PC(CCl)(Br)FInChI=1S/C2H4BrClFP/c3-2(5,6)1-4/h1,6H2InChIKey=SWHMHSPZCMNQDY-UHFFFAOYSA-N154.9Ex 154.90(BP est) -29.99(MP est) ----(BP exp) ----(MP exp) PC(CCl)(Br)F -30PredN
PC(Br)C(Cl)F9974193.38C2H4BrClFP(1-bromo-2-chloro-2-fluoroethyl)phosphaneN106PC(Br)C(Cl)FInChI=1S/C2H4BrClFP/c3-1(6)2(4)5/h1-2H,6H2InChIKey=OGXZZFXUQKSYMS-UHFFFAOYSA-N138.2Ex 138.19(BP est) -51.08(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Cl)F -51.1PredN
PC(CBr)(Cl)F9975193.38C2H4BrClFP(2-bromo-1-chloro-1-fluoroethyl)phosphaneN106PC(CBr)(Cl)FInChI=1S/C2H4BrClFP/c3-1-2(4,5)6/h1,6H2InChIKey=OZBHAYRQCDCRIC-UHFFFAOYSA-N130.5Ex 130.53(BP est) -37.10(MP est) ----(BP exp) ----(MP exp) PC(CBr)(Cl)F -37.1PredN
PC(Cl)C(Br)F9976193.38C2H4BrClFP(2-bromo-1-chloro-2-fluoroethyl)phosphaneN106PC(Cl)C(Br)FInChI=1S/C2H4BrClFP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=XHWVYEUDWYNBHE-UHFFFAOYSA-N138.2Ex 138.19(BP est) -51.08(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(Br)F -51.1PredN
PC(F)C(Br)Cl9977193.38C2H4BrClFP(2-bromo-2-chloro-1-fluoroethyl)phosphaneN106PC(F)C(Br)ClInChI=1S/C2H4BrClFP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=VALVKGPQDZMVNO-UHFFFAOYSA-N138.2Ex 138.19(BP est) -51.08(MP est) ----(BP exp) ----(MP exp) PC(F)C(Br)Cl -51.1PredN
PCC(F)(Br)Cl9978193.38C2H4BrClFP(2-bromo-2-chloro-2-fluoroethyl)phosphaneN106PCC(F)(Br)ClInChI=1S/C2H4BrClFP/c3-2(4,5)1-6/h1,6H2InChIKey=JGDKEPYZZFOIBB-UHFFFAOYSA-N130.5Ex 130.53(BP est) -37.10(MP est) ----(BP exp) ----(MP exp) PCC(F)(Br)Cl -37.1PredN
CPC(F)(Br)Cl9979193.38C2H4BrClFP(bromochlorofluoromethyl)(methyl)phosphaneN106CPC(F)(Br)ClInChI=1S/C2H4BrClFP/c1-6-2(3,4)5/h6H,1H3InChIKey=AMJSCBXIPOQCLO-UHFFFAOYSA-N110.6Ex 110.56(BP est) -51.12(MP est) ----(BP exp) ----(MP exp) CPC(F)(Br)Cl -51.1PredN
FCPC(Br)Cl9980193.38C2H4BrClFP(bromochloromethyl)(fluoromethyl)phosphaneN106FCPC(Br)ClInChI=1S/C2H4BrClFP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=RVCIXWVBZHELTA-UHFFFAOYSA-N132.4Ex 132.38(BP est) -53.46(MP est) ----(BP exp) ----(MP exp) FCPC(Br)Cl -53.5PredN
ClCPC(Br)F9981193.38C2H4BrClFP(bromofluoromethyl)(chloromethyl)phosphaneN106ClCPC(Br)FInChI=1S/C2H4BrClFP/c3-2(5)6-1-4/h2,6H,1H2InChIKey=VKVWNDIXTCPXCO-UHFFFAOYSA-N144.7Ex 144.68(BP est) -49.87(MP est) ----(BP exp) ----(MP exp) ClCPC(Br)F -49.9PredN
BrCPC(Cl)F9982193.38C2H4BrClFP(bromomethyl)(chlorofluoromethyl)phosphaneN106BrCPC(Cl)FInChI=1S/C2H4BrClFP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=KTPPJJUJXPGQBG-UHFFFAOYSA-N132.4Ex 132.38(BP est) -53.46(MP est) ----(BP exp) ----(MP exp) BrCPC(Cl)F -53.5PredN
CSC(Br)(Cl)(F)9984193.458C2H3BrClFS(bromochlorofluoromethyl)(methyl)sulfaneN96CSC(Br)(Cl)(F)InChI=1S/C2H3BrClFS/c1-6-2(3,4)5/h1H3InChIKey=JJSYWMROANTYJJ-UHFFFAOYSA-N138.1Ex 138.09(BP est) -33.38(MP est) ----(BP exp) ----(MP exp) CSC(Br)(Cl)(F) -33.4PredN
C(F)SC(Br)(Cl)9985193.458C2H3BrClFS(bromochloromethyl)(fluoromethyl)sulfaneN96C(F)SC(Br)(Cl)InChI=1S/C2H3BrClFS/c3-2(4)6-1-5/h2H,1H2InChIKey=YECRRPBAIZLRHK-UHFFFAOYSA-N158.9Ex 158.90(BP est) -36.02(MP est) ----(BP exp) ----(MP exp) C(F)SC(Br)(Cl) -36PredN
C(Cl)SC(Br)(F)9986193.458C2H3BrClFS(bromofluoromethyl)(chloromethyl)sulfaneN96C(Cl)SC(Br)(F)InChI=1S/C2H3BrClFS/c3-2(5)6-1-4/h2H,1H2InChIKey=SJLXPPMRVZMICE-UHFFFAOYSA-N170.6Ex 170.61(BP est) -32.60(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Br)(F) -32.6PredN
C(Br)SC(Cl)(F)9987193.458C2H3BrClFS(bromomethyl)(chlorofluoromethyl)sulfaneN96C(Br)SC(Cl)(F)InChI=1S/C2H3BrClFS/c3-1-6-2(4)5/h2H,1H2InChIKey=GCZSNMHAMPLCJD-UHFFFAOYSA-N158.9Ex 158.90(BP est) -36.02(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Cl)(F) -36PredN
SC(Br)(Cl)(CF)9988193.458C2H3BrClFS1-bromo-1-chloro-2-fluoroethane-1-thiolN96SC(Br)(Cl)(CF)InChI=1S/C2H3BrClFS/c3-2(4,6)1-5/h6H,1H2InChIKey=YETZECCYFZUTAV-UHFFFAOYSA-N151.5Ex 151.45(BP est) -28.45(MP est) ----(BP exp) ----(MP exp) SC(Br)(Cl)(CF) -28.5PredN
SC(Br)(F)(CCl)9989193.458C2H3BrClFS1-bromo-2-chloro-1-fluoroethane-1-thiolN96SC(Br)(F)(CCl)InChI=1S/C2H3BrClFS/c3-2(5,6)1-4/h6H,1H2InChIKey=DJMBFMLDDOHAMB-UHFFFAOYSA-N174.9Ex 174.90(BP est) -21.60(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(CCl) -21.6PredN
SC(Br)(C(Cl)F)9990193.458C2H3BrClFS1-bromo-2-chloro-2-fluoroethane-1-thiolN96SC(Br)(C(Cl)F)InChI=1S/C2H3BrClFS/c3-1(6)2(4)5/h1-2,6HInChIKey=QVOFSCWYAIZPKU-UHFFFAOYSA-N158.8Ex 158.84(BP est) -42.50(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(Cl)F) -42.5PredN
SC(Cl)(F)(CBr)9991193.458C2H3BrClFS2-bromo-1-chloro-1-fluoroethane-1-thiolN96SC(Cl)(F)(CBr)InChI=1S/C2H3BrClFS/c3-1-2(4,5)6/h6H,1H2InChIKey=YEUNCLROSRXQBP-UHFFFAOYSA-N151.5Ex 151.45(BP est) -28.45(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(CBr) -28.5PredN
SC(Cl)(C(Br)F)9992193.458C2H3BrClFS2-bromo-1-chloro-2-fluoroethane-1-thiolN96SC(Cl)(C(Br)F)InChI=1S/C2H3BrClFS/c3-1(5)2(4)6/h1-2,6HInChIKey=BALZDSKPMXZINT-UHFFFAOYSA-N158.8Ex 158.84(BP est) -42.50(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(Br)F) -42.5PredN
SC(F)(C(Br)Cl)9993193.458C2H3BrClFS2-bromo-2-chloro-1-fluoroethane-1-thiolN96SC(F)(C(Br)Cl)InChI=1S/C2H3BrClFS/c3-1(4)2(5)6/h1-2,6HInChIKey=FDBTVFRIURUUGI-UHFFFAOYSA-N158.8Ex 158.84(BP est) -42.50(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Br)Cl) -42.5PredN
SC(C(Br)(Cl)F)9994193.458C2H3BrClFS2-bromo-2-chloro-2-fluoroethane-1-thiolN96SC(C(Br)(Cl)F)InChI=1S/C2H3BrClFS/c3-2(4,5)1-6/h6H,1H2InChIKey=JPSFKAXGRFFOFZ-UHFFFAOYSA-N151.5Ex 151.45(BP est) -28.45(MP est) ----(BP exp) ----(MP exp) SC(C(Br)(Cl)F) -28.5PredN
C(Br)(Cl)=C(Cl)(F)9997193.824C2BrCl2F1-bromo-1,2-dichloro-2-fluoroetheneN66C(Br)(Cl)=C(Cl)(F)InChI=1S/C2BrCl2F/c3-1(4)2(5)6InChIKey=HGZGCGUQUDIDQZ-UHFFFAOYSA-N122.2Ex 122.22(BP est) -57.96(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)=C(Cl)(F) -58PredN
C(Cl)(Cl)=C(Br)(F)9998193.824C2BrCl2F1-bromo-2,2-dichloro-1-fluoroetheneN66C(Cl)(Cl)=C(Br)(F)InChI=1S/C2BrCl2F/c3-1(6)2(4)5InChIKey=XUBNUDHHJSUXFH-UHFFFAOYSA-N122.2Ex 122.22(BP est) -57.96(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)=C(Br)(F) -58PredN
C(Br)OC(Cl)(Cl)9999193.849C2H3BrCl2O(bromomethoxy)dichloromethaneN96C(Br)OC(Cl)(Cl)InChI=1S/C2H3BrCl2O/c3-1-6-2(4)5/h2H,1H2InChIKey=VCBYSIVNIXQNRW-UHFFFAOYSA-N163.4Ex 163.38(BP est) -26.13(MP est) ----(BP exp) ----(MP exp) C(Br)OC(Cl)(Cl) -26.1PredN
OC(Br)(Cl)(CCl)10000193.849C2H3BrCl2O1-bromo-1,2-dichloroethan-1-olN96OC(Br)(Cl)(CCl)InChI=1S/C2H3BrCl2O/c3-2(5,6)1-4/h6H,1H2InChIKey=DEYUYIFLFASKKL-UHFFFAOYSA-N195.1Ex 195.05(BP est) 11.12(MP est) ----(BP exp) ----(MP exp) OC(Br)(Cl)(CCl) 11.1PredN
OC(Br)(C(Cl)Cl)10001193.849C2H3BrCl2O1-bromo-2,2-dichloroethan-1-olN96OC(Br)(C(Cl)Cl)InChI=1S/C2H3BrCl2O/c3-1(6)2(4)5/h1-2,6HInChIKey=LPWZUWKICXFQFU-UHFFFAOYSA-N200.2Ex 200.23(BP est) -3.57(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(Cl)Cl) -3.6PredN
OC(Cl)(Cl)(CBr)10002193.849C2H3BrCl2O2-bromo-1,1-dichloroethan-1-olN96OC(Cl)(Cl)(CBr)InChI=1S/C2H3BrCl2O/c3-1-2(4,5)6/h6H,1H2InChIKey=STQQMFFFZVHESD-UHFFFAOYSA-N172.6Ex 172.56(BP est) 4.56(MP est) ----(BP exp) ----(MP exp) OC(Cl)(Cl)(CBr) 4.6PredN
OC(Cl)(C(Br)Cl)10003193.849C2H3BrCl2O2-bromo-1,2-dichloroethan-1-olN96OC(Cl)(C(Br)Cl)InChI=1S/C2H3BrCl2O/c3-1(4)2(5)6/h1-2,6HInChIKey=VUVFWQYFGXAUSU-UHFFFAOYSA-N200.2Ex 200.23(BP est) -3.57(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(Br)Cl) -3.6PredN
OC(C(Br)(Cl)Cl)10004193.849C2H3BrCl2O2-bromo-2,2-dichloroethan-1-olN96OC(C(Br)(Cl)Cl)InChI=1S/C2H3BrCl2O/c3-2(4,5)1-6/h6H,1H2InChIKey=YZTOJSCFQRPGLD-UHFFFAOYSA-N189.0Ex 188.97(BP est) 9.35(MP est) ----(BP exp) ----(MP exp) OC(C(Br)(Cl)Cl) 9.4PredN
C(Cl)OC(Br)(Cl)10005193.849C2H3BrCl2Obromochloro(chloromethoxy)methaneN96C(Cl)OC(Br)(Cl)InChI=1S/C2H3BrCl2O/c3-2(5)6-1-4/h2H,1H2InChIKey=UVFCQSKCFRHVAQ-UHFFFAOYSA-N175.0Ex 174.98(BP est) -22.74(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(Br)(Cl) -22.7PredN
COC(Cl)(Cl)Br10006193.849C2H3BrCl2Obromodichloro(methoxy)methaneN96COC(Cl)(Cl)BrInChI=1S/C2H3BrCl2O/c1-6-2(3,4)5/h1H3InChIKey=IHPFOSXLFAPDTQ-UHFFFAOYSA-N130.4Ex 130.44(BP est) -27.03(MP est) ----(BP exp) ----(MP exp) COC(Cl)(Cl)Br -27PredN
NNC(Br)(Cl)(Cl)10007193.853CH3BrCl2N2(bromodichloromethyl)hydrazineN96NNC(Br)(Cl)(Cl)InChI=1S/CH3BrCl2N2/c2-1(3,4)6-5/h6H,5H2InChIKey=CKFYVLUUGAQZQP-UHFFFAOYSA-N184.4Ex 184.38(BP est) 16.96(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Cl)(Cl) 17PredN
OC(F)(F)(I)10008193.919CHF2IOdifluoroiodomethanolN65OC(F)(F)(I)InChI=1S/CHF2IO/c2-1(3,4)5/h5HInChIKey=XIWQKYYOLSPRMY-UHFFFAOYSA-N116.5Ex 116.47(BP est) -47.65(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(I) -47.7PredN
C(I)#C(C#CF)10009193.947C4FI1-fluoro-4-iodobuta-1,3-diyneN66C(I)#C(C#CF)InChI=1S/C4FI/c5-3-1-2-4-6InChIKey=AQUZHGSPYJNTCZ-UHFFFAOYSA-N169.9Ex 169.92(BP est) 22.30(MP est) ----(BP exp) ----(MP exp) C(I)#C(C#CF) 22.3PredN
IC(C1=CO1)=C10010193.971C4H3IO2-(1-iodovinyl)oxireneN96IC(C1=CO1)=CInChI=1S/C4H3IO/c1-3(5)4-2-6-4/h2H,1H2InChIKey=LWWKSSIBRWAPSR-UHFFFAOYSA-N167.4Ex 167.40(BP est) -24.93(MP est) ----(BP exp) ----(MP exp) IC(C1=CO1)=C -24.9PredN
IC=CC1=CO110011193.971C4H3IO2-(2-iodovinyl)oxireneN96IC=CC1=CO1InChI=1S/C4H3IO/c5-2-1-4-3-6-4/h1-3HInChIKey=NOSNLQYXYNFDNQ-UHFFFAOYSA-N181.2Ex 181.20(BP est) -15.59(MP est) ----(BP exp) ----(MP exp) IC=CC1=CO1 -15.6PredN
IC#CC1CO110012193.971C4H3IO2-(iodoethynyl)oxiraneN96IC#CC1CO1InChI=1S/C4H3IO/c5-2-1-4-3-6-4/h4H,3H2InChIKey=SOKMZNHBIBCLKS-UHFFFAOYSA-N182.9Ex 182.87(BP est) 18.86(MP est) ----(BP exp) ----(MP exp) IC#CC1CO1 18.9PredN
IC1(C#C)CO110013193.971C4H3IO2-ethynyl-2-iodooxiraneN96IC1(C#C)CO1InChI=1S/C4H3IO/c1-2-4(5)3-6-4/h1H,3H2InChIKey=HDYKUQMKKVBRFV-UHFFFAOYSA-N163.9Ex 163.88(BP est) 8.57(MP est) ----(BP exp) ----(MP exp) IC1(C#C)CO1 8.6PredN
IC1C(C#C)O110014193.971C4H3IO2-ethynyl-3-iodooxiraneN96IC1C(C#C)O1InChI=1S/C4H3IO/c1-2-3-4(5)6-3/h1,3-4HInChIKey=RHBFJRNMEPERGM-UHFFFAOYSA-N169.0Ex 168.97(BP est) -4.01(MP est) ----(BP exp) ----(MP exp) IC1C(C#C)O1 -4PredN
IC(O1)=C1C=C10015193.971C4H3IO2-iodo-3-vinyloxireneN96IC(O1)=C1C=CInChI=1S/C4H3IO/c1-2-3-4(5)6-3/h2H,1H2InChIKey=HQHCJZDRDCEOAF-UHFFFAOYSA-N171.4Ex 171.38(BP est) -10.53(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1C=C -10.5PredN
IC1CC2=C1O210016193.971C4H3IO2-iodo-5-oxabicyclo[2.1.0]pent-1(4)-eneN96IC1CC2=C1O2InChI=1S/C4H3IO/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=VEPLTRAHXQECHV-UHFFFAOYSA-N174.6Ex 174.61(BP est) 2.02(MP est) ----(BP exp) ----(MP exp) IC1CC2=C1O2 2PredN
C(=O)C(I)(C#C)10017193.971C4H3IO2-iodobut-3-ynalN96C(=O)C(I)(C#C)InChI=1S/C4H3IO/c1-2-4(5)3-6/h1,3-4HInChIKey=BLZJTMZIRBQUCG-UHFFFAOYSA-N185.3Ex 185.33(BP est) -5.87(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(C#C) -5.9PredN
C(=O)C#C(CI)10018193.971C4H3IO4-iodobut-2-ynalN96C(=O)C#C(CI)InChI=1S/C4H3IO/c5-3-1-2-4-6/h4H,3H2InChIKey=IVXCYRMYRKZHBD-UHFFFAOYSA-N205.0Ex 204.97(BP est) 26.63(MP est) ----(BP exp) ----(MP exp) C(=O)C#C(CI) 26.6PredN
C(=O)C(C#CI)10019193.971C4H3IO4-iodobut-3-ynalN96C(=O)C(C#CI)InChI=1S/C4H3IO/c5-3-1-2-4-6/h4H,2H2InChIKey=FXHVWHYWGLMCAT-UHFFFAOYSA-N205.0Ex 204.97(BP est) 26.63(MP est) ----(BP exp) ----(MP exp) C(=O)C(C#CI) 26.6PredN
C(I)(C)=C(C1)(C1)10020194.015C5H7I(1-iodoethylidene)cyclopropaneN136C(I)(C)=C(C1)(C1)InChI=1S/C5H7I/c1-4(6)5-2-3-5/h2-3H2,1H3InChIKey=YSZVEEHAHBGUFU-UHFFFAOYSA-N165.1Ex 165.11(BP est) -33.83(MP est) ----(BP exp) ----(MP exp) C(I)(C)=C(C1)(C1) -33.8PredN
IC(C1CC1)=C10021194.015C5H7I(1-iodovinyl)cyclopropaneN136IC(C1CC1)=CInChI=1S/C5H7I/c1-4(6)5-2-3-5/h5H,1-3H2InChIKey=YXXYLUDHPDQRCH-UHFFFAOYSA-N154.3Ex 154.32(BP est) -45.16(MP est) ----(BP exp) ----(MP exp) IC(C1CC1)=C -45.2PredN
C(CI)=C(C1)(C1)10022194.015C5H7I(2-iodoethylidene)cyclopropaneN136C(CI)=C(C1)(C1)InChI=1S/C5H7I/c6-4-3-5-1-2-5/h3H,1-2,4H2InChIKey=NZXBJLLQFRORLA-UHFFFAOYSA-N170.9Ex 170.93(BP est) -25.15(MP est) ----(BP exp) ----(MP exp) C(CI)=C(C1)(C1) -25.2PredN
C(C1)(C1)(C=CI)10023194.015C5H7I(2-iodovinyl)cyclopropaneN136C(C1)(C1)(C=CI)InChI=1S/C5H7I/c6-4-3-5-1-2-5/h3-5H,1-2H2InChIKey=GJAFFXYGZDBFJN-UHFFFAOYSA-N168.5Ex 168.47(BP est) -35.71(MP est) ----(BP exp) ----(MP exp) C(C1)(C1)(C=CI) -35.7PredN
C(I)=C(C1)(CC1)10024194.015C5H7I(iodomethylene)cyclobutaneN136C(I)=C(C1)(CC1)InChI=1S/C5H7I/c6-4-5-2-1-3-5/h4H,1-3H2InChIKey=QWTJYWUZRBZPJS-UHFFFAOYSA-N172.9Ex 172.87(BP est) -26.35(MP est) ----(BP exp) ----(MP exp) C(I)=C(C1)(CC1) -26.4PredN
IC(C)C1=CC110025194.015C5H7I1-(1-iodoethyl)cycloprop-1-eneN136IC(C)C1=CC1InChI=1S/C5H7I/c1-4(6)5-2-3-5/h2,4H,3H2,1H3InChIKey=MUMNHAYKDGWSBV-UHFFFAOYSA-N156.1Ex 156.07(BP est) -35.53(MP est) ----(BP exp) ----(MP exp) IC(C)C1=CC1 -35.5PredN
ICCC1=CC110026194.015C5H7I1-(2-iodoethyl)cycloprop-1-eneN136ICCC1=CC1InChI=1S/C5H7I/c6-4-3-5-1-2-5/h1H,2-4H2InChIKey=WAIJIUOQAZWSMB-UHFFFAOYSA-N169.1Ex 169.05(BP est) -24.24(MP est) ----(BP exp) ----(MP exp) ICCC1=CC1 -24.2PredN
CC(C1)=C1CI10027194.015C5H7I1-(iodomethyl)-2-methylcycloprop-1-eneN136CC(C1)=C1CIInChI=1S/C5H7I/c1-4-2-5(4)3-6/h2-3H2,1H3InChIKey=OSJSWPWYZMUOOD-UHFFFAOYSA-N167.2Ex 167.22(BP est) -18.51(MP est) ----(BP exp) ----(MP exp) CC(C1)=C1CI -18.5PredN
ICC1=CC1C10028194.015C5H7I1-(iodomethyl)-3-methylcycloprop-1-eneN136ICC1=CC1CInChI=1S/C5H7I/c1-4-2-5(4)3-6/h2,4H,3H2,1H3InChIKey=YIPHICKOWRNELB-UHFFFAOYSA-N162.9Ex 162.85(BP est) -28.17(MP est) ----(BP exp) ----(MP exp) ICC1=CC1C -28.2PredN
C(C1)=C(CI)(C1)10029194.015C5H7I1-(iodomethyl)cyclobut-1-eneN136C(C1)=C(CI)(C1)InChI=1S/C5H7I/c6-4-5-2-1-3-5/h2H,1,3-4H2InChIKey=KOEYRHONANHXPM-UHFFFAOYSA-N171.0Ex 171.00(BP est) -25.43(MP est) ----(BP exp) ----(MP exp) C(C1)=C(CI)(C1) -25.4PredN
IC(C1)=C1CC10030194.015C5H7I1-ethyl-2-iodocycloprop-1-eneN136IC(C1)=C1CCInChI=1S/C5H7I/c1-2-4-3-5(4)6/h2-3H2,1H3InChIKey=NPQMDMRZDGOMLP-UHFFFAOYSA-N167.2Ex 167.22(BP est) -18.51(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1CC -18.5PredN
CCC1=CC1I10031194.015C5H7I1-ethyl-3-iodocycloprop-1-eneN136CCC1=CC1IInChI=1S/C5H7I/c1-2-4-3-5(4)6/h3,5H,2H2,1H3InChIKey=QDNXXJXMSIWUGF-UHFFFAOYSA-N162.9Ex 162.85(BP est) -28.17(MP est) ----(BP exp) ----(MP exp) CCC1=CC1I -28.2PredN
C(C)=C(C1)(C1I)10032194.015C5H7I1-ethylidene-2-iodocyclopropaneN136C(C)=C(C1)(C1I)InChI=1S/C5H7I/c1-2-4-3-5(4)6/h2,5H,3H2,1H3InChIKey=WSARFAKBAISPBN-UHFFFAOYSA-N164.8Ex 164.75(BP est) -29.08(MP est) ----(BP exp) ----(MP exp) C(C)=C(C1)(C1I) -29.1PredN
IC1(C=C)CC110033194.015C5H7I1-iodo-1-vinylcyclopropaneN136IC1(C=C)CC1InChI=1S/C5H7I/c1-2-5(6)3-4-5/h2H,1,3-4H2InChIKey=DFAXLHPQUHMYNB-UHFFFAOYSA-N148.7Ex 148.71(BP est) -27.87(MP est) ----(BP exp) ----(MP exp) IC1(C=C)CC1 -27.9PredN
IC(C1C)=C1C10034194.015C5H7I1-iodo-2,3-dimethylcycloprop-1-eneN136IC(C1C)=C1CInChI=1S/C5H7I/c1-3-4(2)5(3)6/h3H,1-2H3InChIKey=UXTIQAIJJDTNCZ-UHFFFAOYSA-N161.0Ex 161.00(BP est) -22.45(MP est) ----(BP exp) ----(MP exp) IC(C1C)=C1C -22.5PredN
IC=C(C=C)C10035194.015C5H7I1-iodo-2-methylbuta-1,3-dieneN136IC=C(C=C)CInChI=1S/C5H7I/c1-3-5(2)4-6/h3-4H,1H2,2H3InChIKey=GGNDQIKGPXNRIA-UHFFFAOYSA-N157.3Ex 157.33(BP est) -55.79(MP est) ----(BP exp) ----(MP exp) IC=C(C=C)C -55.8PredN
C(I)(C1)=C(C)(C1)10036194.015C5H7I1-iodo-2-methylcyclobut-1-eneN136C(I)(C1)=C(C)(C1)InChI=1S/C5H7I/c1-4-2-3-5(4)6/h2-3H2,1H3InChIKey=IIAMVVSQXFKVPH-UHFFFAOYSA-N169.2Ex 169.18(BP est) -19.70(MP est) ----(BP exp) ----(MP exp) C(I)(C1)=C(C)(C1) -19.7PredN
C=C1CCC1I10037194.015C5H7I1-iodo-2-methylenecyclobutaneN136C=C1CCC1IInChI=1S/C5H7I/c1-4-2-3-5(4)6/h5H,1-3H2InChIKey=DIVVSBOPNCGBON-UHFFFAOYSA-N158.5Ex 158.47(BP est) -31.01(MP est) ----(BP exp) ----(MP exp) C=C1CCC1I -31PredN
IC1C(C=C)C110038194.015C5H7I1-iodo-2-vinylcyclopropaneN136IC1C(C=C)C1InChI=1S/C5H7I/c1-2-4-3-5(4)6/h2,4-5H,1,3H2InChIKey=OMTRKTNNWQICBW-UHFFFAOYSA-N154.0Ex 153.95(BP est) -40.41(MP est) ----(BP exp) ----(MP exp) IC1C(C=C)C1 -40.4PredN
IC1=CC1(C)C10039194.015C5H7I1-iodo-3,3-dimethylcycloprop-1-eneN136IC1=CC1(C)CInChI=1S/C5H7I/c1-5(2)3-4(5)6/h3H,1-2H3InChIKey=LSAMUPCXAWFCRZ-UHFFFAOYSA-N151.4Ex 151.36(BP est) -19.58(MP est) ----(BP exp) ----(MP exp) IC1=CC1(C)C -19.6PredN
C(C)(C)(C#CI)10040194.015C5H7I1-iodo-3-methylbut-1-yneN136C(C)(C)(C#CI)InChI=1S/C5H7I/c1-5(2)3-4-6/h5H,1-2H3InChIKey=XXMVFUNLMQMWQC-UHFFFAOYSA-N160.8Ex 160.82(BP est) 1.18(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C#CI) 1.2PredN
C=C(C=CI)C10041194.015C5H7I1-iodo-3-methylbuta-1,3-dieneN136C=C(C=CI)CInChI=1S/C5H7I/c1-5(2)3-4-6/h3-4H,1H2,2H3InChIKey=SITPFRKCUNPPLZ-UHFFFAOYSA-N157.3Ex 157.33(BP est) -55.79(MP est) ----(BP exp) ----(MP exp) C=C(C=CI)C -55.8PredN
C(C)(C1)(C=C1I)10042194.015C5H7I1-iodo-3-methylcyclobut-1-eneN136C(C)(C1)(C=C1I)InChI=1S/C5H7I/c1-4-2-5(6)3-4/h2,4H,3H2,1H3InChIKey=RPYGDFZFGMIBNR-UHFFFAOYSA-N164.8Ex 164.82(BP est) -29.36(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C=C1I) -29.4PredN
C=C1CC(I)C110043194.015C5H7I1-iodo-3-methylenecyclobutaneN136C=C1CC(I)C1InChI=1S/C5H7I/c1-4-2-5(6)3-4/h5H,1-3H2InChIKey=WCPKOTJVNSDHKY-UHFFFAOYSA-N158.5Ex 158.47(BP est) -31.01(MP est) ----(BP exp) ----(MP exp) C=C1CC(I)C1 -31PredN
C(C)(C1)(C(I)=C1)10044194.015C5H7I1-iodo-4-methylcyclobut-1-eneN136C(C)(C1)(C(I)=C1)InChI=1S/C5H7I/c1-4-2-3-5(4)6/h3-4H,2H2,1H3InChIKey=OGSFPIGYLUGIEY-UHFFFAOYSA-N164.8Ex 164.82(BP est) -29.36(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C(I)=C1) -29.4PredN
IC12CC1CC210045194.015C5H7I1-iodobicyclo[2.1.0]pentaneN136IC12CC1CC2InChI=1S/C5H7I/c6-5-2-1-4(5)3-5/h4H,1-3H2InChIKey=WGIVXHBZZPMIMB-UHFFFAOYSA-N152.1Ex 152.09(BP est) -15.27(MP est) ----(BP exp) ----(MP exp) IC12CC1CC2 -15.3PredN
C(CC1)(C=C1I)10046194.015C5H7I1-iodocyclopent-1-eneN136C(CC1)(C=C1I)InChI=1S/C5H7I/c6-5-3-1-2-4-5/h3H,1-2,4H2InChIKey=TYOSEWMRNVIYNB-UHFFFAOYSA-N172.9Ex 172.94(BP est) -26.63(MP est) ----(BP exp) ----(MP exp) C(CC1)(C=C1I) -26.6PredN
C(C)(CC#CI)10047194.015C5H7I1-iodopent-1-yneN136C(C)(CC#CI)InChI=1S/C5H7I/c1-2-3-4-5-6/h2-3H2,1H3InChIKey=UWPKZGBPLFRGAH-UHFFFAOYSA-N173.7Ex 173.69(BP est) 12.43(MP est) ----(BP exp) ----(MP exp) C(C)(CC#CI) 12.4PredN
C(CI)#C(CC)10048194.015C5H7I1-iodopent-2-yneN136C(CI)#C(CC)InChI=1S/C5H7I/c1-2-3-4-5-6/h2,5H2,1H3InChIKey=BIXFMRXHWVNDBA-UHFFFAOYSA-N173.7Ex 173.69(BP est) 12.43(MP est) ----(BP exp) ----(MP exp) C(CI)#C(CC) 12.4PredN
C(C)=C(C=CI)10049194.015C5H7I1-iodopenta-1,3-dieneN136C(C)=C(C=CI)InChI=1S/C5H7I/c1-2-3-4-5-6/h2-5H,1H3InChIKey=WOUKFPZKTOKLHB-UHFFFAOYSA-N171.4Ex 171.40(BP est) -46.37(MP est) ----(BP exp) ----(MP exp) C(C)=C(C=CI) -46.4PredN
C(C=C)(C=CI)10050194.015C5H7I1-iodopenta-1,4-dieneN136C(C=C)(C=CI)InChI=1S/C5H7I/c1-2-3-4-5-6/h2,4-5H,1,3H2InChIKey=HUHQDXWOJHPTDY-UHFFFAOYSA-N163.2Ex 163.23(BP est) -47.09(MP est) ----(BP exp) ----(MP exp) C(C=C)(C=CI) -47.1PredN
IC1C2(C1)CC210051194.015C5H7I1-iodospiro[2.2]pentaneN136IC1C2(C1)CC2InChI=1S/C5H7I/c6-4-3-5(4)1-2-5/h4H,1-3H2InChIKey=LHKOPNUDSJLQRE-UHFFFAOYSA-N152.1Ex 152.09(BP est) -15.27(MP est) ----(BP exp) ----(MP exp) IC1C2(C1)CC2 -15.3PredN
C=C(C=C)CI10052194.015C5H7I2-(iodomethyl)buta-1,3-dieneN136C=C(C=C)CIInChI=1S/C5H7I/c1-3-5(2)4-6/h3H,1-2,4H2InChIKey=JYALAPSFKTZMPS-UHFFFAOYSA-N148.9Ex 148.93(BP est) -56.59(MP est) ----(BP exp) ----(MP exp) C=C(C=C)CI -56.6PredN
C=C(C(I)=C)C10053194.015C5H7I2-iodo-3-methylbuta-1,3-dieneN136C=C(C(I)=C)CInChI=1S/C5H7I/c1-4(2)5(3)6/h1,3H2,2H3InChIKey=NIQXBNLULXHNBE-UHFFFAOYSA-N142.9Ex 142.86(BP est) -65.34(MP est) ----(BP exp) ----(MP exp) C=C(C(I)=C)C -65.3PredN
IC1CC2CC2110054194.015C5H7I2-iodobicyclo[2.1.0]pentaneN136IC1CC2CC21InChI=1S/C5H7I/c6-5-2-3-1-4(3)5/h3-5H,1-2H2InChIKey=QRWVJPNZEGEZFM-UHFFFAOYSA-N157.3Ex 157.29(BP est) -27.82(MP est) ----(BP exp) ----(MP exp) IC1CC2CC21 -27.8PredN
CC=CC(I)=C10055194.015C5H7I2-iodopenta-1,3-dieneN136CC=CC(I)=CInChI=1S/C5H7I/c1-3-4-5(2)6/h3-4H,2H2,1H3InChIKey=NEMWLIRERLNMKP-UHFFFAOYSA-N157.3Ex 157.33(BP est) -55.79(MP est) ----(BP exp) ----(MP exp) CC=CC(I)=C -55.8PredN
C=CCC(I)=C10056194.015C5H7I2-iodopenta-1,4-dieneN136C=CCC(I)=CInChI=1S/C5H7I/c1-3-4-5(2)6/h3H,1-2,4H2InChIKey=YSWZQHOJBITBSY-UHFFFAOYSA-N148.9Ex 148.93(BP est) -56.59(MP est) ----(BP exp) ----(MP exp) C=CCC(I)=C -56.6PredN
IC(C)C1C=C110057194.015C5H7I3-(1-iodoethyl)cycloprop-1-eneN136IC(C)C1C=C1InChI=1S/C5H7I/c1-4(6)5-2-3-5/h2-5H,1H3InChIKey=GUFLUILKPZHNNB-UHFFFAOYSA-N151.6Ex 151.60(BP est) -45.22(MP est) ----(BP exp) ----(MP exp) IC(C)C1C=C1 -45.2PredN
ICCC1C=C110058194.015C5H7I3-(2-iodoethyl)cycloprop-1-eneN136ICCC1C=C1InChI=1S/C5H7I/c6-4-3-5-1-2-5/h1-2,5H,3-4H2InChIKey=OITXXOKNHCHIJI-UHFFFAOYSA-N164.7Ex 164.70(BP est) -33.89(MP est) ----(BP exp) ----(MP exp) ICCC1C=C1 -33.9PredN
CC1=CC1CI10059194.015C5H7I3-(iodomethyl)-1-methylcycloprop-1-eneN136CC1=CC1CIInChI=1S/C5H7I/c1-4-2-5(4)3-6/h2,5H,3H2,1H3InChIKey=XLCORMOXWJAFTM-UHFFFAOYSA-N162.9Ex 162.85(BP est) -28.17(MP est) ----(BP exp) ----(MP exp) CC1=CC1CI -28.2PredN
CC1(CI)C=C110060194.015C5H7I3-(iodomethyl)-3-methylcycloprop-1-eneN136CC1(CI)C=C1InChI=1S/C5H7I/c1-5(4-6)2-3-5/h2-3H,4H2,1H3InChIKey=IQDUNORKBLBHRP-UHFFFAOYSA-N153.3Ex 153.25(BP est) -25.28(MP est) ----(BP exp) ----(MP exp) CC1(CI)C=C1 -25.3PredN
C(CI)(C1)(C=C1)10061194.015C5H7I3-(iodomethyl)cyclobut-1-eneN136C(CI)(C1)(C=C1)InChI=1S/C5H7I/c6-4-5-2-1-3-5/h1-2,5H,3-4H2InChIKey=WICOFAGYDWAEGR-UHFFFAOYSA-N166.7Ex 166.66(BP est) -35.08(MP est) ----(BP exp) ----(MP exp) C(CI)(C1)(C=C1) -35.1PredN
IC1=CC1CC10062194.015C5H7I3-ethyl-1-iodocycloprop-1-eneN136IC1=CC1CCInChI=1S/C5H7I/c1-2-4-3-5(4)6/h3-4H,2H2,1H3InChIKey=GHUXPBVDQARCIB-UHFFFAOYSA-N162.9Ex 162.85(BP est) -28.17(MP est) ----(BP exp) ----(MP exp) IC1=CC1CC -28.2PredN
IC1(CC)C=C110063194.015C5H7I3-ethyl-3-iodocycloprop-1-eneN136IC1(CC)C=C1InChI=1S/C5H7I/c1-2-5(6)3-4-5/h3-4H,2H2,1H3InChIKey=XOEUFOXQQMSRNZ-UHFFFAOYSA-N153.3Ex 153.25(BP est) -25.28(MP est) ----(BP exp) ----(MP exp) IC1(CC)C=C1 -25.3PredN
CC(C1I)=C1C10064194.015C5H7I3-iodo-1,2-dimethylcycloprop-1-eneN136CC(C1I)=C1CInChI=1S/C5H7I/c1-3-4(2)5(3)6/h5H,1-2H3InChIKey=YHPKITTTZORMNX-UHFFFAOYSA-N161.0Ex 161.00(BP est) -22.45(MP est) ----(BP exp) ----(MP exp) CC(C1I)=C1C -22.5PredN
CC1=CC1(C)I10065194.015C5H7I3-iodo-1,3-dimethylcycloprop-1-eneN136CC1=CC1(C)IInChI=1S/C5H7I/c1-4-3-5(4,2)6/h3H,1-2H3InChIKey=YVGTUXKDOMCEKH-UHFFFAOYSA-N151.4Ex 151.36(BP est) -19.58(MP est) ----(BP exp) ----(MP exp) CC1=CC1(C)I -19.6PredN
C(C1I)=C(C)(C1)10066194.015C5H7I3-iodo-1-methylcyclobut-1-eneN136C(C1I)=C(C)(C1)InChI=1S/C5H7I/c1-4-2-5(6)3-4/h2,5H,3H2,1H3InChIKey=OJDCDVLMWUYHCI-UHFFFAOYSA-N164.8Ex 164.82(BP est) -29.36(MP est) ----(BP exp) ----(MP exp) C(C1I)=C(C)(C1) -29.4PredN
IC(C)(C#C)C10067194.015C5H7I3-iodo-3-methylbut-1-yneN136IC(C)(C#C)CInChI=1S/C5H7I/c1-4-5(2,3)6/h1H,2-3H3InChIKey=OTGFXWWYHNFJHA-UHFFFAOYSA-N143.9Ex 143.92(BP est) -24.61(MP est) ----(BP exp) ----(MP exp) IC(C)(C#C)C -24.6PredN
IC1(CC=C1)C10068194.015C5H7I3-iodo-3-methylcyclobut-1-eneN136IC1(CC=C1)CInChI=1S/C5H7I/c1-5(6)3-2-4-5/h2-3H,4H2,1H3InChIKey=QMSAUGRVAJLTET-UHFFFAOYSA-N155.3Ex 155.26(BP est) -26.46(MP est) ----(BP exp) ----(MP exp) IC1(CC=C1)C -26.5PredN
C(C)(C1I)(C=C1)10069194.015C5H7I3-iodo-4-methylcyclobut-1-eneN136C(C)(C1I)(C=C1)InChI=1S/C5H7I/c1-4-2-3-5(4)6/h2-5H,1H3InChIKey=WRCJWGCRQBWUDQ-UHFFFAOYSA-N160.4Ex 160.43(BP est) -39.02(MP est) ----(BP exp) ----(MP exp) C(C)(C1I)(C=C1) -39PredN
C(CC1I)(C=C1)10070194.015C5H7I3-iodocyclopent-1-eneN136C(CC1I)(C=C1)InChI=1S/C5H7I/c6-5-3-1-2-4-5/h1,3,5H,2,4H2InChIKey=KAMUMFOXUUCBSK-UHFFFAOYSA-N168.6Ex 168.61(BP est) -36.27(MP est) ----(BP exp) ----(MP exp) C(CC1I)(C=C1) -36.3PredN
CCC(C#C)I10071194.015C5H7I3-iodopent-1-yneN136CCC(C#C)IInChI=1S/C5H7I/c1-3-5(6)4-2/h1,5H,4H2,2H3InChIKey=FOMQVVFYXXUEED-UHFFFAOYSA-N152.7Ex 152.69(BP est) -30.76(MP est) ----(BP exp) ----(MP exp) CCC(C#C)I -30.8PredN
CC=C(C=C)I10072194.015C5H7I3-iodopenta-1,3-dieneN136CC=C(C=C)IInChI=1S/C5H7I/c1-3-5(6)4-2/h3-4H,1H2,2H3InChIKey=DLQJBVPHEMZDMH-UHFFFAOYSA-N157.3Ex 157.33(BP est) -55.79(MP est) ----(BP exp) ----(MP exp) CC=C(C=C)I -55.8PredN
IC(C=C)C=C10073194.015C5H7I3-iodopenta-1,4-dieneN136IC(C=C)C=CInChI=1S/C5H7I/c1-3-5(6)4-2/h3-5H,1-2H2InChIKey=OVUDPLJBAAHGMN-UHFFFAOYSA-N141.6Ex 141.59(BP est) -59.25(MP est) ----(BP exp) ----(MP exp) IC(C=C)C=C -59.3PredN
C(C1)=C(C)(C1I)10074194.015C5H7I4-iodo-1-methylcyclobut-1-eneN136C(C1)=C(C)(C1I)InChI=1S/C5H7I/c1-4-2-3-5(4)6/h2,5H,3H2,1H3InChIKey=GFURIPLDJHMEJM-UHFFFAOYSA-N164.8Ex 164.82(BP est) -29.36(MP est) ----(BP exp) ----(MP exp) C(C1)=C(C)(C1I) -29.4PredN
CC(C#C)CI10075194.015C5H7I4-iodo-3-methylbut-1-yneN136CC(C#C)CIInChI=1S/C5H7I/c1-3-5(2)4-6/h1,5H,4H2,2H3InChIKey=NOMJQFPFLFOKFQ-UHFFFAOYSA-N152.7Ex 152.69(BP est) -30.76(MP est) ----(BP exp) ----(MP exp) CC(C#C)CI -30.8PredN
C(C(I)C1)(C=C1)10076194.015C5H7I4-iodocyclopent-1-eneN136C(C(I)C1)(C=C1)InChI=1S/C5H7I/c6-5-3-1-2-4-5/h1-2,5H,3-4H2InChIKey=GDPIPRNPFGXDBE-UHFFFAOYSA-N168.6Ex 168.61(BP est) -36.27(MP est) ----(BP exp) ----(MP exp) C(C(I)C1)(C=C1) -36.3PredN
IC(CC#C)C10077194.015C5H7I4-iodopent-1-yneN136IC(CC#C)CInChI=1S/C5H7I/c1-3-4-5(2)6/h1,5H,4H2,2H3InChIKey=WLGCWCCGJNCPGH-UHFFFAOYSA-N152.7Ex 152.69(BP est) -30.76(MP est) ----(BP exp) ----(MP exp) IC(CC#C)C -30.8PredN
C(C)#C(C(I)C)10078194.015C5H7I4-iodopent-2-yneN136C(C)#C(C(I)C)InChI=1S/C5H7I/c1-3-4-5(2)6/h5H,1-2H3InChIKey=FLWAFSIUDFJDHA-UHFFFAOYSA-N160.8Ex 160.82(BP est) 1.18(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(I)C) 1.2PredN
IC(C)=CC=C10079194.015C5H7I4-iodopenta-1,3-dieneN136IC(C)=CC=CInChI=1S/C5H7I/c1-3-4-5(2)6/h3-4H,1H2,2H3InChIKey=QFKJXQKXPSNHQV-UHFFFAOYSA-N157.3Ex 157.33(BP est) -55.79(MP est) ----(BP exp) ----(MP exp) IC(C)=CC=C -55.8PredN
IC1C2C1CC210080194.015C5H7I5-iodobicyclo[2.1.0]pentaneN136IC1C2C1CC2InChI=1S/C5H7I/c6-5-3-1-2-4(3)5/h3-5H,1-2H2InChIKey=SCYVEHCRABLSMO-UHFFFAOYSA-N157.3Ex 157.29(BP est) -27.82(MP est) ----(BP exp) ----(MP exp) IC1C2C1CC2 -27.8PredN
C(CI)(CC#C)10081194.015C5H7I5-iodopent-1-yneN136C(CI)(CC#C)InChI=1S/C5H7I/c1-2-3-4-5-6/h1H,3-5H2InChIKey=SEHFYZRHGUPLSY-UHFFFAOYSA-N165.8Ex 165.76(BP est) -19.45(MP est) ----(BP exp) ----(MP exp) C(CI)(CC#C) -19.5PredN
C(C)#C(CCI)10082194.015C5H7I5-iodopent-2-yneN136C(C)#C(CCI)InChI=1S/C5H7I/c1-2-3-4-5-6/h4-5H2,1H3InChIKey=BRNJRIRAHLASIZ-UHFFFAOYSA-N173.7Ex 173.69(BP est) 12.43(MP est) ----(BP exp) ----(MP exp) C(C)#C(CCI) 12.4PredN
C(CI)=C(C=C)10083194.015C5H7I5-iodopenta-1,3-dieneN136C(CI)=C(C=C)InChI=1S/C5H7I/c1-2-3-4-5-6/h2-4H,1,5H2InChIKey=LWKIADOPDMVSLK-UHFFFAOYSA-N163.2Ex 163.23(BP est) -47.09(MP est) ----(BP exp) ----(MP exp) C(CI)=C(C=C) -47.1PredN
C(Cl)(F)(I)10084194.372CHClFIchlorofluoroiodomethaneN54C(Cl)(F)(I)InChI=1S/CHClFI/c2-1(3)4/h1HInChIKey=HLSRAOHMHGINPN-UHFFFAOYSA-N104.1Ex 104.10(BP est) -75.72(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(I) -75.7PredN
NOC(Cl)(Cl)Br10085194.837CH2BrCl2NOO-(bromodichloromethyl)hydroxylamineN86NOC(Cl)(Cl)BrInChI=1S/CH2BrCl2NO/c2-1(3,4)6-5/h5H2InChIKey=CKCQMOGBSONEFB-UHFFFAOYSA-N167.0Ex 166.95(BP est) 19.62(MP est) ----(BP exp) ----(MP exp) NOC(Cl)(Cl)Br 19.6PredN
IC12C(N2)CC110092195.003C4H6IN1-iodo-5-azabicyclo[2.1.0]pentaneN126IC12C(N2)CC1InChI=1S/C4H6IN/c5-4-2-1-3(4)6-4/h3,6H,1-2H2InChIKey=WSKDLGYZHUYCAA-UHFFFAOYSA-N186.4Ex 186.36(BP est) 18.38(MP est) ----(BP exp) ----(MP exp) IC12C(N2)CC1 18.4PredN
NC(I)(CC#C)10093195.003C4H6IN1-iodobut-3-yn-1-amineN126NC(I)(CC#C)InChI=1S/C4H6IN/c1-2-3-4(5)6/h1,4H,3,6H2InChIKey=LYKYXUTVLNWGLV-UHFFFAOYSA-N187.7Ex 187.71(BP est) 15.46(MP est) ----(BP exp) ----(MP exp) NC(I)(CC#C) 15.5PredN
NC(CI)(C#C)10094195.003C4H6IN1-iodobut-3-yn-2-amineN126NC(CI)(C#C)InChI=1S/C4H6IN/c1-2-4(6)3-5/h1,4H,3,6H2InChIKey=ANZQZRNVCXBWIE-UHFFFAOYSA-N187.7Ex 187.71(BP est) 15.46(MP est) ----(BP exp) ----(MP exp) NC(CI)(C#C) 15.5PredN
NC(I)(C1)(C=C1)10095195.003C4H6IN1-iodocyclobut-2-en-1-amineN126NC(I)(C1)(C=C1)InChI=1S/C4H6IN/c5-4(6)2-1-3-4/h1-2H,3,6H2InChIKey=BUBHECKZWZSYFX-UHFFFAOYSA-N190.1Ex 190.11(BP est) 19.71(MP est) ----(BP exp) ----(MP exp) NC(I)(C1)(C=C1) 19.7PredN
CNC(I)(C#C)10096195.003C4H6IN1-iodo-N-methylprop-2-yn-1-amineN126CNC(I)(C#C)InChI=1S/C4H6IN/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=HYMXIELCXZIBBL-UHFFFAOYSA-N171.4Ex 171.44(BP est) -4.59(MP est) ----(BP exp) ----(MP exp) CNC(I)(C#C) -4.6PredN
IC(C)C1=CN110097195.003C4H6IN2-(1-iodoethyl)-1H-azirineN126IC(C)C1=CN1InChI=1S/C4H6IN/c1-3(5)4-2-6-4/h2-3,6H,1H3InChIKey=PFZCJTYSETVUOX-UHFFFAOYSA-N190.1Ex 190.07(BP est) 21.28(MP est) ----(BP exp) ----(MP exp) IC(C)C1=CN1 21.3PredN
IC(C1CN1)=C10098195.003C4H6IN2-(1-iodovinyl)aziridineN126IC(C1CN1)=CInChI=1S/C4H6IN/c1-3(5)4-2-6-4/h4,6H,1-2H2InChIKey=VLTHDZPCPADBOR-UHFFFAOYSA-N188.4Ex 188.44(BP est) 11.68(MP est) ----(BP exp) ----(MP exp) IC(C1CN1)=C 11.7PredN
ICCC1=CN110099195.003C4H6IN2-(2-iodoethyl)-1H-azirineN126ICCC1=CN1InChI=1S/C4H6IN/c5-2-1-4-3-6-4/h3,6H,1-2H2InChIKey=HDRJNSFSALZQPX-UHFFFAOYSA-N202.2Ex 202.18(BP est) 23.00(MP est) ----(BP exp) ----(MP exp) ICCC1=CN1 23PredN
IC=CC1CN110100195.003C4H6IN2-(2-iodovinyl)aziridineN126IC=CC1CN1InChI=1S/C4H6IN/c5-2-1-4-3-6-4/h1-2,4,6H,3H2InChIKey=AXBNXVSZQHHFLW-UHFFFAOYSA-N201.6Ex 201.64(BP est) 20.85(MP est) ----(BP exp) ----(MP exp) IC=CC1CN1 20.9PredN
CC(N1)=C1CI10101195.003C4H6IN2-(iodomethyl)-3-methyl-1H-azirineN126CC(N1)=C1CIInChI=1S/C4H6IN/c1-3-4(2-5)6-3/h6H,2H2,1H3InChIKey=UBQQYWJFUHZOJS-UHFFFAOYSA-N200.5Ex 200.48(BP est) 26.51(MP est) ----(BP exp) ----(MP exp) CC(N1)=C1CI 26.5PredN
IC(N1)=C1CC10102195.003C4H6IN2-ethyl-3-iodo-1H-azirineN126IC(N1)=C1CCInChI=1S/C4H6IN/c1-2-3-4(5)6-3/h6H,2H2,1H3InChIKey=MJDJRWGDHCEDGQ-UHFFFAOYSA-N200.5Ex 200.48(BP est) 26.51(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1CC 26.5PredN
IC1C2(CC2)N110103195.003C4H6IN2-iodo-1-azaspiro[2.2]pentaneN126IC1C2(CC2)N1InChI=1S/C4H6IN/c5-3-4(6-3)1-2-4/h3,6H,1-2H2InChIKey=LNNUVPQSKAUDJD-UHFFFAOYSA-N186.4Ex 186.36(BP est) 18.38(MP est) ----(BP exp) ----(MP exp) IC1C2(CC2)N1 18.4PredN
IC1(C=C)CN110104195.003C4H6IN2-iodo-2-vinylaziridineN126IC1(C=C)CN1InChI=1S/C4H6IN/c1-2-4(5)3-6-4/h2,6H,1,3H2InChIKey=FCXMGPANSMZKCE-UHFFFAOYSA-N183.2Ex 183.21(BP est) 29.08(MP est) ----(BP exp) ----(MP exp) IC1(C=C)CN1 29.1PredN
IC1C(C=C)N110105195.003C4H6IN2-iodo-3-vinylaziridineN126IC1C(C=C)N1InChI=1S/C4H6IN/c1-2-3-4(5)6-3/h2-4,6H,1H2InChIKey=ADYSMESGIOXINQ-UHFFFAOYSA-N188.1Ex 188.09(BP est) 16.44(MP est) ----(BP exp) ----(MP exp) IC1C(C=C)N1 16.4PredN
IC1CC2C1N210106195.003C4H6IN2-iodo-5-azabicyclo[2.1.0]pentaneN126IC1CC2C1N2InChI=1S/C4H6IN/c5-2-1-3-4(2)6-3/h2-4,6H,1H2InChIKey=WZYPSPJCQMPEQV-UHFFFAOYSA-N191.2Ex 191.22(BP est) 28.96(MP est) ----(BP exp) ----(MP exp) IC1CC2C1N2 29PredN
NC(C(I)C#C)10107195.003C4H6IN2-iodobut-3-yn-1-amineN126NC(C(I)C#C)InChI=1S/C4H6IN/c1-2-4(5)3-6/h1,4H,3,6H2InChIKey=UVKLMAHUBGYTRH-UHFFFAOYSA-N187.7Ex 187.71(BP est) 15.46(MP est) ----(BP exp) ----(MP exp) NC(C(I)C#C) 15.5PredN
NC(I)(C)(C#C)10108195.003C4H6IN2-iodobut-3-yn-2-amineN126NC(I)(C)(C#C)InChI=1S/C4H6IN/c1-3-4(2,5)6/h1H,6H2,2H3InChIKey=KDHCCUZHAURANG-UHFFFAOYSA-N179.5Ex 179.53(BP est) 21.78(MP est) ----(BP exp) ----(MP exp) NC(I)(C)(C#C) 21.8PredN
NC(C1)(C(I)=C1)10109195.003C4H6IN2-iodocyclobut-2-en-1-amineN126NC(C1)(C(I)=C1)InChI=1S/C4H6IN/c5-3-1-2-4(3)6/h1,4H,2,6H2InChIKey=NPLAEFOUZJDBJZ-UHFFFAOYSA-N199.0Ex 199.01(BP est) 16.62(MP est) ----(BP exp) ----(MP exp) NC(C1)(C(I)=C1) 16.6PredN
NC(C1)(C=C1I)10110195.003C4H6IN3-iodocyclobut-2-en-1-amineN126NC(C1)(C=C1I)InChI=1S/C4H6IN/c5-3-1-4(6)2-3/h1,4H,2,6H2InChIKey=PZISNMBVEYFPCB-UHFFFAOYSA-N199.0Ex 199.01(BP est) 16.62(MP est) ----(BP exp) ----(MP exp) NC(C1)(C=C1I) 16.6PredN
CNC(C#CI)10111195.003C4H6IN3-iodo-N-methylprop-2-yn-1-amineN126CNC(C#CI)InChI=1S/C4H6IN/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=FNZMMVSAFYLBLU-UHFFFAOYSA-N191.7Ex 191.67(BP est) 18.31(MP est) ----(BP exp) ----(MP exp) CNC(C#CI) 18.3PredN
IC1C2(C1)CN210112195.003C4H6IN4-iodo-1-azaspiro[2.2]pentaneN126IC1C2(C1)CN2InChI=1S/C4H6IN/c5-3-1-4(3)2-6-4/h3,6H,1-2H2InChIKey=FYTTWKKNHZKXQM-UHFFFAOYSA-N186.4Ex 186.36(BP est) 18.38(MP est) ----(BP exp) ----(MP exp) IC1C2(C1)CN2 18.4PredN
NC(CC#CI)10113195.003C4H6IN4-iodobut-3-yn-1-amineN126NC(CC#CI)InChI=1S/C4H6IN/c5-3-1-2-4-6/h2,4,6H2InChIKey=VBLBIANFPKGVHZ-UHFFFAOYSA-N207.3Ex 207.26(BP est) 32.79(MP est) ----(BP exp) ----(MP exp) NC(CC#CI) 32.8PredN
NC(C)(C#CI)10114195.003C4H6IN4-iodobut-3-yn-2-amineN126NC(C)(C#CI)InChI=1S/C4H6IN/c1-4(6)2-3-5/h4H,6H2,1H3InChIKey=KHPPDWDVLIXLEW-UHFFFAOYSA-N195.3Ex 195.29(BP est) 23.80(MP est) ----(BP exp) ----(MP exp) NC(C)(C#CI) 23.8PredN
NC(C1I)(C=C1)10115195.003C4H6IN4-iodocyclobut-2-en-1-amineN126NC(C1I)(C=C1)InChI=1S/C4H6IN/c5-3-1-2-4(3)6/h1-4H,6H2InChIKey=NRAKYWIGAUWTFU-UHFFFAOYSA-N194.9Ex 194.92(BP est) 7.05(MP est) ----(BP exp) ----(MP exp) NC(C1I)(C=C1) 7.1PredN
C(I)NC(C#C)10116195.003C4H6INN-(iodomethyl)prop-2-yn-1-amineN126C(I)NC(C#C)InChI=1S/C4H6IN/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=ODIBHMNUQNIQCC-UHFFFAOYSA-N184.0Ex 184.03(BP est) 6.58(MP est) ----(BP exp) ----(MP exp) C(I)NC(C#C) 6.6PredN
BrC(Cl)(P)Cl10131195.805CH2BrCl2P(bromodichloromethyl)phosphaneN75BrC(Cl)(P)ClInChI=1S/CH2BrCl2P/c2-1(3,4)5/h5H2InChIKey=JVYVBTRFEZWCFN-UHFFFAOYSA-N141.6Ex 141.63(BP est) -24.83(MP est) ----(BP exp) ----(MP exp) BrC(Cl)(P)Cl -24.8PredN
C(F)(C(Br)(Cl)Cl)10132195.84C2H2BrCl2F1-bromo-1,1-dichloro-2-fluoroethaneN86C(F)(C(Br)(Cl)Cl)InChI=1S/C2H2BrCl2F/c3-2(4,5)1-6/h1H2InChIKey=XHMWTCTWZHHRHG-UHFFFAOYSA-N108.5Ex 108.54(BP est) -44.25(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(Cl)Cl) -44.3PredN
C(Cl)(C(Br)(Cl)F)10133195.84C2H2BrCl2F1-bromo-1,2-dichloro-1-fluoroethaneN86C(Cl)(C(Br)(Cl)F)InChI=1S/C2H2BrCl2F/c3-2(5,6)1-4/h1H2InChIKey=URVZKEBBQRTCGI-UHFFFAOYSA-N133.8Ex 133.84(BP est) -36.86(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)(Cl)F) -36.9PredN
C(Br)(Cl)(C(Cl)F)10134195.84C2H2BrCl2F1-bromo-1,2-dichloro-2-fluoroethaneN86C(Br)(Cl)(C(Cl)F)InChI=1S/C2H2BrCl2F/c3-1(4)2(5)6/h1-2HInChIKey=XDDJVEKMKAKCQM-UHFFFAOYSA-N125.0Ex 129.09(BP est) -54.46(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C(Cl)F) -54.5PredN
C(Cl)(Cl)(C(Br)F)10135195.84C2H2BrCl2F1-bromo-2,2-dichloro-1-fluoroethaneN86C(Cl)(Cl)(C(Br)F)InChI=1S/C2H2BrCl2F/c3-1(6)2(4)5/h1-2HInChIKey=XUHRUDVDKWQYRG-UHFFFAOYSA-N129.1Ex 129.09(BP est) -54.46(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(Br)F) -54.5PredN
C(Br)(C(Cl)(Cl)F)10136195.84C2H2BrCl2F2-bromo-1,1-dichloro-1-fluoroethaneN86C(Br)(C(Cl)(Cl)F)InChI=1S/C2H2BrCl2F/c3-1-2(4,5)6/h1H2InChIKey=UFKGZLBZAYIBIQ-UHFFFAOYSA-N108.5Ex 108.54(BP est) -44.25(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)(Cl)F) -44.3PredN
SC(Br)(Cl)(Cl)10137195.883CHBrCl2SbromodichloromethanethiolN65SC(Br)(Cl)(Cl)InChI=1S/CHBrCl2S/c2-1(3,4)5/h5HInChIKey=KUACKSQNPMNYJB-UHFFFAOYSA-N162.1Ex 162.14(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) SC(Br)(Cl)(Cl) -16.3PredN
C(F)(F)(F)(I)10138195.911CF3ItrifluoroiodomethaneN55C(F)(F)(F)(I)InChI=1S/CF3I/c2-1(3,4)5InChIKey=VPAYJEUHKVESSD-UHFFFAOYSA-N-22.3Ex 45.94(BP est) -98.36(MP est) -22.50(BP exp) ----(MP exp) C(F)(F)(F)(I) -98.4PredN
C(F)(I)=C(C#C)10139195.963C4H2FI1-fluoro-1-iodobut-1-en-3-yneN86C(F)(I)=C(C#C)InChI=1S/C4H2FI/c1-2-3-4(5)6/h1,3HInChIKey=JAWWOORAKWMBKA-UHFFFAOYSA-N146.9Ex 146.86(BP est) -39.83(MP est) ----(BP exp) ----(MP exp) C(F)(I)=C(C#C) -39.8PredN
C(F)=C(I)(C#C)10140195.963C4H2FI1-fluoro-2-iodobut-1-en-3-yneN86C(F)=C(I)(C#C)InChI=1S/C4H2FI/c1-2-4(6)3-5/h1,3HInChIKey=NVSJGYAHLXRJJE-UHFFFAOYSA-N146.9Ex 146.86(BP est) -39.83(MP est) ----(BP exp) ----(MP exp) C(F)=C(I)(C#C) -39.8PredN
C(F)=C(C#CI)10141195.963C4H2FI1-fluoro-4-iodobut-1-en-3-yneN86C(F)=C(C#CI)InChI=1S/C4H2FI/c5-3-1-2-4-6/h1,3HInChIKey=DPYGWWSUHPCNOF-UHFFFAOYSA-N161.0Ex 161.01(BP est) 0.85(MP est) ----(BP exp) ----(MP exp) C(F)=C(C#CI) 0.9PredN
C(I)=C(F)(C#C)10142195.963C4H2FI2-fluoro-1-iodobut-1-en-3-yneN86C(I)=C(F)(C#C)InChI=1S/C4H2FI/c1-2-4(5)3-6/h1,3HInChIKey=ZCLJBNNWCAESAM-UHFFFAOYSA-N146.9Ex 146.86(BP est) -39.83(MP est) ----(BP exp) ----(MP exp) C(I)=C(F)(C#C) -39.8PredN
C=C(F)(C#CI)10143195.963C4H2FI2-fluoro-4-iodobut-1-en-3-yneN86C=C(F)(C#CI)InChI=1S/C4H2FI/c1-4(5)2-3-6/h1H2InChIKey=WBIDAICMEVKQTO-UHFFFAOYSA-N146.7Ex 146.65(BP est) -8.66(MP est) ----(BP exp) ----(MP exp) C=C(F)(C#CI) -8.7PredN
C(I)=C(C#CF)10144195.963C4H2FI4-fluoro-1-iodobut-1-en-3-yneN86C(I)=C(C#CF)InChI=1S/C4H2FI/c5-3-1-2-4-6/h2,4HInChIKey=NTIMKIIRZRECAQ-UHFFFAOYSA-N161.0Ex 161.01(BP est) 0.85(MP est) ----(BP exp) ----(MP exp) C(I)=C(C#CF) 0.9PredN
C=C(I)(C#CF)10145195.963C4H2FI4-fluoro-2-iodobut-1-en-3-yneN86C=C(I)(C#CF)InChI=1S/C4H2FI/c1-4(6)2-3-5/h1H2InChIKey=HULVTXUZBCMRQQ-UHFFFAOYSA-N146.7Ex 146.65(BP est) -8.66(MP est) ----(BP exp) ----(MP exp) C=C(I)(C#CF) -8.7PredN
CC#COC(I)10146195.987C4H5IO1-(iodomethoxy)prop-1-yneN116CC#COC(I)InChI=1S/C4H5IO/c1-2-3-6-4-5/h4H2,1H3InChIKey=HSAIRKSBCQRLCZ-UHFFFAOYSA-N174.5Ex 174.50(BP est) 18.15(MP est) ----(BP exp) ----(MP exp) CC#COC(I) 18.2PredN
C=COC(I)=C10147195.987C4H5IO1-iodo-1-(vinyloxy)etheneN116C=COC(I)=CInChI=1S/C4H5IO/c1-3-6-4(2)5/h3H,1-2H2InChIKey=OOQXPVSIHBVBME-UHFFFAOYSA-N149.8Ex 149.79(BP est) -50.85(MP est) ----(BP exp) ----(MP exp) C=COC(I)=C -50.9PredN
C=COC=C(I)10148195.987C4H5IO1-iodo-2-(vinyloxy)etheneN116C=COC=C(I)InChI=1S/C4H5IO/c1-2-6-4-3-5/h2-4H,1H2InChIKey=HLGUCFUIMHDOCX-UHFFFAOYSA-N164.1Ex 164.07(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) C=COC=C(I) -41.4PredN
COC(C#CI)10149195.987C4H5IO1-iodo-3-methoxyprop-1-yneN116COC(C#CI)InChI=1S/C4H5IO/c1-6-4-2-3-5/h4H2,1H3InChIKey=AZNIKXZNLCVRQK-UHFFFAOYSA-N174.5Ex 174.50(BP est) 18.15(MP est) ----(BP exp) ----(MP exp) COC(C#CI) 18.2PredN
IC12C(O2)CC110150195.987C4H5IO1-iodo-5-oxabicyclo[2.1.0]pentaneN116IC12C(O2)CC1InChI=1S/C4H5IO/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=TUMNLKSGDYHOQY-UHFFFAOYSA-N158.0Ex 157.99(BP est) -5.90(MP est) ----(BP exp) ----(MP exp) IC12C(O2)CC1 -5.9PredN
OC(I)(CC#C)10151195.987C4H5IO1-iodobut-3-yn-1-olN116OC(I)(CC#C)InChI=1S/C4H5IO/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=XTYMRRXAFRDBRW-UHFFFAOYSA-N203.2Ex 203.20(BP est) 8.76(MP est) ----(BP exp) ----(MP exp) OC(I)(CC#C) 8.8PredN
OC(CI)(C#C)10152195.987C4H5IO1-iodobut-3-yn-2-olN116OC(CI)(C#C)InChI=1S/C4H5IO/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=KRLOIPHHDDBRHA-UHFFFAOYSA-N203.2Ex 203.20(BP est) 8.76(MP est) ----(BP exp) ----(MP exp) OC(CI)(C#C) 8.8PredN
OC(I)(C1)(C=C1)10153195.987C4H5IO1-iodocyclobut-2-en-1-olN116OC(I)(C1)(C=C1)InChI=1S/C4H5IO/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=HRKJDYREUZUNBM-UHFFFAOYSA-N196.2Ex 196.23(BP est) 10.28(MP est) ----(BP exp) ----(MP exp) OC(I)(C1)(C=C1) 10.3PredN
C(=O)C(I)(C1)(C1)10154195.987C4H5IO1-iodocyclopropane-1-carbaldehydeN116C(=O)C(I)(C1)(C1)InChI=1S/C4H5IO/c5-4(3-6)1-2-4/h3H,1-2H2InChIKey=DCLIRSHMJLCAAW-UHFFFAOYSA-N183.2Ex 183.15(BP est) -1.57(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(C1)(C1) -1.6PredN
IC(C)C1=CO110155195.987C4H5IO2-(1-iodoethyl)oxireneN116IC(C)C1=CO1InChI=1S/C4H5IO/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=RMEVEAYYJVTWNN-UHFFFAOYSA-N161.9Ex 161.93(BP est) -26.17(MP est) ----(BP exp) ----(MP exp) IC(C)C1=CO1 -26.2PredN
IC(C1CO1)=C10156195.987C4H5IO2-(1-iodovinyl)oxiraneN116IC(C1CO1)=CInChI=1S/C4H5IO/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=ODCPINQKBYNAOE-UHFFFAOYSA-N160.2Ex 160.20(BP est) -35.80(MP est) ----(BP exp) ----(MP exp) IC(C1CO1)=C -35.8PredN
ICCC1=CO110157195.987C4H5IO2-(2-iodoethyl)oxireneN116ICCC1=CO1InChI=1S/C4H5IO/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=KULPKMUCCMGCKZ-UHFFFAOYSA-N174.8Ex 174.76(BP est) -14.92(MP est) ----(BP exp) ----(MP exp) ICCC1=CO1 -14.9PredN
IC=CC1CO110158195.987C4H5IO2-(2-iodovinyl)oxiraneN116IC=CC1CO1InChI=1S/C4H5IO/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=IDSIUFTZQRZSBV-UHFFFAOYSA-N174.2Ex 174.19(BP est) -26.39(MP est) ----(BP exp) ----(MP exp) IC=CC1CO1 -26.4PredN
CC(O1)=C1CI10159195.987C4H5IO2-(iodomethyl)-3-methyloxireneN116CC(O1)=C1CIInChI=1S/C4H5IO/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=MVXCALOVZMBWLA-UHFFFAOYSA-N173.0Ex 172.96(BP est) -9.19(MP est) ----(BP exp) ----(MP exp) CC(O1)=C1CI -9.2PredN
C(=O)C(CI)=C10160195.987C4H5IO2-(iodomethyl)acrylaldehydeN116C(=O)C(CI)=CInChI=1S/C4H5IO/c1-4(2-5)3-6/h3H,1-2H2InChIKey=TWGHJDGHKMFJBI-UHFFFAOYSA-N183.4Ex 183.35(BP est) -30.29(MP est) ----(BP exp) ----(MP exp) C(=O)C(CI)=C -30.3PredN
IC(O1)=C1CC10161195.987C4H5IO2-ethyl-3-iodooxireneN116IC(O1)=C1CCInChI=1S/C4H5IO/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=WXKFBOGCIVXIQA-UHFFFAOYSA-N173.0Ex 172.96(BP est) -9.19(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1CC -9.2PredN
IC1C2(CC2)O110162195.987C4H5IO2-iodo-1-oxaspiro[2.2]pentaneN116IC1C2(CC2)O1InChI=1S/C4H5IO/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=FNXDVNCBCMESKJ-UHFFFAOYSA-N158.0Ex 157.99(BP est) -5.90(MP est) ----(BP exp) ----(MP exp) IC1C2(CC2)O1 -5.9PredN
IC1(C=C)CO110163195.987C4H5IO2-iodo-2-vinyloxiraneN116IC1(C=C)CO1InChI=1S/C4H5IO/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=MCSDAHCAKOSCME-UHFFFAOYSA-N154.7Ex 154.65(BP est) -18.49(MP est) ----(BP exp) ----(MP exp) IC1(C=C)CO1 -18.5PredN
IC1C(C=C)O110164195.987C4H5IO2-iodo-3-vinyloxiraneN116IC1C(C=C)O1InChI=1S/C4H5IO/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=JNAHOMPWMKNUHH-UHFFFAOYSA-N159.8Ex 159.83(BP est) -31.04(MP est) ----(BP exp) ----(MP exp) IC1C(C=C)O1 -31PredN
IC1CC2C1O210165195.987C4H5IO2-iodo-5-oxabicyclo[2.1.0]pentaneN116IC1CC2C1O2InChI=1S/C4H5IO/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=LRCPVAMQTUVTGZ-UHFFFAOYSA-N163.1Ex 163.14(BP est) -18.47(MP est) ----(BP exp) ----(MP exp) IC1CC2C1O2 -18.5PredN
C(=O)C(I)=C(C)10166195.987C4H5IO2-iodobut-2-enalN116C(=O)C(I)=C(C)InChI=1S/C4H5IO/c1-2-4(5)3-6/h2-3H,1H3InChIKey=HMTMZKKFHBNBSD-UHFFFAOYSA-N191.2Ex 191.19(BP est) -29.66(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)=C(C) -29.7PredN
C(=O)C(I)(C=C)10167195.987C4H5IO2-iodobut-3-enalN116C(=O)C(I)(C=C)InChI=1S/C4H5IO/c1-2-4(5)3-6/h2-4H,1H2InChIKey=WFNRYBBUPVZAGF-UHFFFAOYSA-N176.5Ex 176.49(BP est) -32.81(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(C=C) -32.8PredN
OC(C(I)C#C)10168195.987C4H5IO2-iodobut-3-yn-1-olN116OC(C(I)C#C)InChI=1S/C4H5IO/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=UDAPMKROMRTLHJ-UHFFFAOYSA-N209.5Ex 209.54(BP est) 10.61(MP est) ----(BP exp) ----(MP exp) OC(C(I)C#C) 10.6PredN
OC(I)(C)(C#C)10169195.987C4H5IO2-iodobut-3-yn-2-olN116OC(I)(C)(C#C)InChI=1S/C4H5IO/c1-3-4(2,5)6/h1,6H,2H3InChIKey=CBQFVAYVOJGMCA-UHFFFAOYSA-N185.8Ex 185.80(BP est) 12.39(MP est) ----(BP exp) ----(MP exp) OC(I)(C)(C#C) 12.4PredN
OC(C1)(C(I)=C1)10170195.987C4H5IO2-iodocyclobut-2-en-1-olN116OC(C1)(C(I)=C1)InChI=1S/C4H5IO/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=VTSSCJSOYMORSE-UHFFFAOYSA-N214.1Ex 214.11(BP est) 9.81(MP est) ----(BP exp) ----(MP exp) OC(C1)(C(I)=C1) 9.8PredN
C(=O)C(C1)(C1I)10171195.987C4H5IO2-iodocyclopropane-1-carbaldehydeN116C(=O)C(C1)(C1I)InChI=1S/C4H5IO/c5-4-1-3(4)2-6/h2-4H,1H2InChIKey=YQVGYZBAGAUVSE-UHFFFAOYSA-N188.0Ex 188.04(BP est) -14.21(MP est) ----(BP exp) ----(MP exp) C(=O)C(C1)(C1I) -14.2PredN
C(I)OC(C#C)10172195.987C4H5IO3-(iodomethoxy)prop-1-yneN116C(I)OC(C#C)InChI=1S/C4H5IO/c1-2-3-6-4-5/h1H,3-4H2InChIKey=WGEXAQDQYBSRQZ-UHFFFAOYSA-N166.6Ex 166.59(BP est) -13.73(MP est) ----(BP exp) ----(MP exp) C(I)OC(C#C) -13.7PredN
C(I)C#COC10173195.987C4H5IO3-iodo-1-methoxyprop-1-yneN116C(I)C#COCInChI=1S/C4H5IO/c1-6-4-2-3-5/h3H2,1H3InChIKey=DOAZLOJPJFBPKT-UHFFFAOYSA-N174.5Ex 174.50(BP est) 18.15(MP est) ----(BP exp) ----(MP exp) C(I)C#COC 18.2PredN
C(=O)C(C)=C(I)10174195.987C4H5IO3-iodo-2-methylacrylaldehydeN116C(=O)C(C)=C(I)InChI=1S/C4H5IO/c1-4(2-5)3-6/h2-3H,1H3InChIKey=SOLWECSWXAZIHP-UHFFFAOYSA-N191.2Ex 191.19(BP est) -29.66(MP est) ----(BP exp) ----(MP exp) C(=O)C(C)=C(I) -29.7PredN
COC(C#C)I10175195.987C4H5IO3-iodo-3-methoxyprop-1-yneN116COC(C#C)IInChI=1S/C4H5IO/c1-3-4(5)6-2/h1,4H,2H3InChIKey=DSPBQGPIFXYJBR-UHFFFAOYSA-N153.5Ex 153.54(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) COC(C#C)I -25PredN
C(=O)C=C(I)(C)10176195.987C4H5IO3-iodobut-2-enalN116C(=O)C=C(I)(C)InChI=1S/C4H5IO/c1-4(5)2-3-6/h2-3H,1H3InChIKey=FBJFLCLXJDNXHY-UHFFFAOYSA-N191.2Ex 191.19(BP est) -29.66(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(I)(C) -29.7PredN
C(=O)C(C(I)=C)10177195.987C4H5IO3-iodobut-3-enalN116C(=O)C(C(I)=C)InChI=1S/C4H5IO/c1-4(5)2-3-6/h3H,1-2H2InChIKey=ZIHGTKGCIJAQDC-UHFFFAOYSA-N183.4Ex 183.35(BP est) -30.29(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(I)=C) -30.3PredN
OC(C1)(C=C1I)10178195.987C4H5IO3-iodocyclobut-2-en-1-olN116OC(C1)(C=C1I)InChI=1S/C4H5IO/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=CUKDXYXYCWTOIF-UHFFFAOYSA-N214.1Ex 214.11(BP est) 9.81(MP est) ----(BP exp) ----(MP exp) OC(C1)(C=C1I) 9.8PredN
IC1C2(C1)CO210179195.987C4H5IO4-iodo-1-oxaspiro[2.2]pentaneN116IC1C2(C1)CO2InChI=1S/C4H5IO/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=DEXSWCIYBDVNGS-UHFFFAOYSA-N158.0Ex 157.99(BP est) -5.90(MP est) ----(BP exp) ----(MP exp) IC1C2(C1)CO2 -5.9PredN
C(=O)C=C(CI)10180195.987C4H5IO4-iodobut-2-enalN116C(=O)C=C(CI)InChI=1S/C4H5IO/c5-3-1-2-4-6/h1-2,4H,3H2InChIKey=RGKKDXIKHFVCJQ-UHFFFAOYSA-N196.7Ex 196.70(BP est) -21.07(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(CI) -21.1PredN
C(=O)C(C=CI)10181195.987C4H5IO4-iodobut-3-enalN116C(=O)C(C=CI)InChI=1S/C4H5IO/c5-3-1-2-4-6/h1,3-4H,2H2InChIKey=OKMZOOJBLMZHFA-UHFFFAOYSA-N196.7Ex 196.70(BP est) -21.07(MP est) ----(BP exp) ----(MP exp) C(=O)C(C=CI) -21.1PredN
OC(CC#CI)10182195.987C4H5IO4-iodobut-3-yn-1-olN116OC(CC#CI)InChI=1S/C4H5IO/c5-3-1-2-4-6/h6H,2,4H2InChIKey=QASIQGKCAMPXHV-UHFFFAOYSA-N228.1Ex 228.12(BP est) 41.91(MP est) ----(BP exp) ----(MP exp) OC(CC#CI) 41.9PredN
OC(C)(C#CI)10183195.987C4H5IO4-iodobut-3-yn-2-olN116OC(C)(C#CI)InChI=1S/C4H5IO/c1-4(6)2-3-5/h4,6H,1H3InChIKey=QXBZJJNSMJJKED-UHFFFAOYSA-N210.5Ex 210.52(BP est) 30.06(MP est) ----(BP exp) ----(MP exp) OC(C)(C#CI) 30.1PredN
OC(C1I)(C=C1)10184195.987C4H5IO4-iodocyclobut-2-en-1-olN116OC(C1I)(C=C1)InChI=1S/C4H5IO/c5-3-1-2-4(3)6/h1-4,6HInChIKey=BTSQPSAWMXPYGK-UHFFFAOYSA-N210.2Ex 210.16(BP est) 0.28(MP est) ----(BP exp) ----(MP exp) OC(C1I)(C=C1) 0.3PredN
NNC(I)(C#C)10185195.991C3H5IN2(1-iodoprop-2-yn-1-yl)hydrazineN116NNC(I)(C#C)InChI=1S/C3H5IN2/c1-2-3(4)6-5/h1,3,6H,5H2InChIKey=AJNSESVPPMZYRD-UHFFFAOYSA-N205.2Ex 205.16(BP est) 29.54(MP est) ----(BP exp) ----(MP exp) NNC(I)(C#C) 29.5PredN
NNC(C#CI)10186195.991C3H5IN2(3-iodoprop-2-yn-1-yl)hydrazineN116NNC(C#CI)InChI=1S/C3H5IN2/c4-2-1-3-6-5/h6H,3,5H2InChIKey=XZOUANMUGTXOCF-UHFFFAOYSA-N223.9Ex 223.94(BP est) 50.44(MP est) ----(BP exp) ----(MP exp) NNC(C#CI) 50.4PredN
IC(C)C1CC110187196.031C5H9I(1-iodoethyl)cyclopropaneN156IC(C)C1CC1InChI=1S/C5H9I/c1-4(6)5-2-3-5/h4-5H,2-3H2,1H3InChIKey=LOYDYFPLNLBBSD-UHFFFAOYSA-N148.7Ex 148.70(BP est) -46.44(MP est) ----(BP exp) ----(MP exp) IC(C)C1CC1 -46.4PredN
C(C1)(C1)(CCI)10188196.031C5H9I(2-iodoethyl)cyclopropaneN156C(C1)(C1)(CCI)InChI=1S/C5H9I/c6-4-3-5-1-2-5/h5H,1-4H2InChIKey=GPVQDOZPSDGYPC-UHFFFAOYSA-N161.9Ex 161.87(BP est) -35.10(MP est) ----(BP exp) ----(MP exp) C(C1)(C1)(CCI) -35.1PredN
C(CI)(C1)(CC1)10189196.031C5H9I(iodomethyl)cyclobutaneN156C(CI)(C1)(CC1)InChI=1S/C5H9I/c6-4-5-2-1-3-5/h5H,1-4H2InChIKey=FHHQLLOJOKZLST-UHFFFAOYSA-N163.9Ex 163.85(BP est) -36.28(MP est) ----(BP exp) ----(MP exp) C(CI)(C1)(CC1) -36.3PredN
CC1(CC1)CI10190196.031C5H9I1-(iodomethyl)-1-methylcyclopropaneN156CC1(CC1)CIInChI=1S/C5H9I/c1-5(4-6)2-3-5/h2-4H2,1H3InChIKey=MSJVCBCMXCSFJM-UHFFFAOYSA-N150.4Ex 150.36(BP est) -26.51(MP est) ----(BP exp) ----(MP exp) CC1(CC1)CI -26.5PredN
CC1CC1CI10191196.031C5H9I1-(iodomethyl)-2-methylcyclopropaneN156CC1CC1CIInChI=1S/C5H9I/c1-4-2-5(4)3-6/h4-5H,2-3H2,1H3InChIKey=MNMARFUPNQEPPK-UHFFFAOYSA-N155.6Ex 155.58(BP est) -39.05(MP est) ----(BP exp) ----(MP exp) CC1CC1CI -39.1PredN
IC1(CC)CC110192196.031C5H9I1-ethyl-1-iodocyclopropaneN156IC1(CC)CC1InChI=1S/C5H9I/c1-2-5(6)3-4-5/h2-4H2,1H3InChIKey=WRUYSMUYUXOCMZ-UHFFFAOYSA-N150.4Ex 150.36(BP est) -26.51(MP est) ----(BP exp) ----(MP exp) IC1(CC)CC1 -26.5PredN
IC1C(CC)C110193196.031C5H9I1-ethyl-2-iodocyclopropaneN156IC1C(CC)C1InChI=1S/C5H9I/c1-2-4-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=FVWYIFJVJNRRQN-UHFFFAOYSA-N155.6Ex 155.58(BP est) -39.05(MP est) ----(BP exp) ----(MP exp) IC1C(CC)C1 -39.1PredN
CC1CC1(C)I10194196.031C5H9I1-iodo-1,2-dimethylcyclopropaneN156CC1CC1(C)IInChI=1S/C5H9I/c1-4-3-5(4,2)6/h4H,3H2,1-2H3InChIKey=DEYJMCHGEWHGDJ-UHFFFAOYSA-N143.9Ex 143.93(BP est) -30.50(MP est) ----(BP exp) ----(MP exp) CC1CC1(C)I -30.5PredN
IC1(CCC1)C10195196.031C5H9I1-iodo-1-methylcyclobutaneN156IC1(CCC1)CInChI=1S/C5H9I/c1-5(6)3-2-4-5/h2-4H2,1H3InChIKey=POZMPJADXYMIOP-UHFFFAOYSA-N152.4Ex 152.38(BP est) -27.68(MP est) ----(BP exp) ----(MP exp) IC1(CCC1)C -27.7PredN
IC1C(C)C1C10196196.031C5H9I1-iodo-2,3-dimethylcyclopropaneN156IC1C(C)C1CInChI=1S/C5H9I/c1-3-4(2)5(3)6/h3-5H,1-2H3InChIKey=ULCOIOZJWRPWIM-UHFFFAOYSA-N149.2Ex 149.21(BP est) -43.03(MP est) ----(BP exp) ----(MP exp) IC1C(C)C1C -43PredN
IC=C(CC)C10197196.031C5H9I1-iodo-2-methylbut-1-eneN156IC=C(CC)CInChI=1S/C5H9I/c1-3-5(2)4-6/h4H,3H2,1-2H3InChIKey=CZUKZUBREQHGIZ-UHFFFAOYSA-N137.8Ex 158.95(BP est) -54.44(MP est) ----(BP exp) ----(MP exp) IC=C(CC)C -54.4PredN
CC=C(CI)C10198196.031C5H9I1-iodo-2-methylbut-2-eneN156CC=C(CI)CInChI=1S/C5H9I/c1-3-5(2)4-6/h3H,4H2,1-2H3InChIKey=URRPVLUEWURZHV-UHFFFAOYSA-N137.8Ex 158.95(BP est) -54.44(MP est) ----(BP exp) ----(MP exp) CC=C(CI)C -54.4PredN
CC1CCC1I10199196.031C5H9I1-iodo-2-methylcyclobutaneN156CC1CCC1IInChI=1S/C5H9I/c1-4-2-3-5(4)6/h4-5H,2-3H2,1H3InChIKey=IYCZMGKKNKPLPE-UHFFFAOYSA-N157.6Ex 157.58(BP est) -40.23(MP est) ----(BP exp) ----(MP exp) CC1CCC1I -40.2PredN
CC(C=CI)C10200196.031C5H9I1-iodo-3-methylbut-1-eneN156CC(C=CI)CInChI=1S/C5H9I/c1-5(2)3-4-6/h3-5H,1-2H3InChIKey=SESUMRHCXRFUHX-UHFFFAOYSA-N137.5Ex 151.75(BP est) -57.06(MP est) ----(BP exp) ----(MP exp) CC(C=CI)C -57.1PredN
ICC=C(C)C10201196.031C5H9I1-iodo-3-methylbut-2-eneN156ICC=C(C)CInChI=1S/C5H9I/c1-5(2)3-4-6/h3H,4H2,1-2H3InChIKey=SWDGKAOKYFIAHW-UHFFFAOYSA-N137.8Ex 158.95(BP est) -54.44(MP est) ----(BP exp) ----(MP exp) ICC=C(C)C -54.4PredN
CC1CC(I)C110202196.031C5H9I1-iodo-3-methylcyclobutaneN156CC1CC(I)C1InChI=1S/C5H9I/c1-4-2-5(6)3-4/h4-5H,2-3H2,1H3InChIKey=ACWCEXHRQRPKSH-UHFFFAOYSA-N157.6Ex 157.58(BP est) -40.23(MP est) ----(BP exp) ----(MP exp) CC1CC(I)C1 -40.2PredN
C(C)(CC=CI)10203196.031C5H9I1-iodopent-1-eneN156C(C)(CC=CI)InChI=1S/C5H9I/c1-2-3-4-5-6/h4-5H,2-3H2,1H3InChIKey=BKPFTDPOCSONMX-UHFFFAOYSA-N149.0Ex 164.84(BP est) -45.74(MP est) ----(BP exp) ----(MP exp) C(C)(CC=CI) -45.7PredN
C(CI)=C(CC)10204196.031C5H9I1-iodopent-2-eneN156C(CI)=C(CC)InChI=1S/C5H9I/c1-2-3-4-5-6/h3-4H,2,5H2,1H3InChIKey=TUOBXTTXILBNEL-UHFFFAOYSA-N138.0Ex 164.84(BP est) -45.74(MP est) ----(BP exp) ----(MP exp) C(CI)=C(CC) -45.7PredN
C=C(CC)CI10205196.031C5H9I2-(iodomethyl)but-1-eneN156C=C(CC)CIInChI=1S/C5H9I/c1-3-5(2)4-6/h2-4H2,1H3InChIKey=PEWOLPKMPDOOON-UHFFFAOYSA-N130.4Ex 150.58(BP est) -55.22(MP est) ----(BP exp) ----(MP exp) C=C(CC)CI -55.2PredN
CC1(CC1I)C10206196.031C5H9I2-iodo-1,1-dimethylcyclopropaneN156CC1(CC1I)CInChI=1S/C5H9I/c1-5(2)3-4(5)6/h4H,3H2,1-2H3InChIKey=CAXYQNNCKFCGQB-UHFFFAOYSA-N143.9Ex 143.93(BP est) -30.50(MP est) ----(BP exp) ----(MP exp) CC1(CC1I)C -30.5PredN
CC(C(I)=C)C10208196.031C5H9I2-iodo-3-methylbut-1-eneN156CC(C(I)=C)CInChI=1S/C5H9I/c1-4(2)5(3)6/h4H,3H2,1-2H3InChIKey=CANSBURCNZVPMJ-UHFFFAOYSA-N129.9Ex 137.13(BP est) -66.65(MP est) ----(BP exp) ----(MP exp) CC(C(I)=C)C -66.7PredN
IC(C)=C(C)C10209196.031C5H9I2-iodo-3-methylbut-2-eneN156IC(C)=C(C)CInChI=1S/C5H9I/c1-4(2)5(3)6/h1-3H3InChIKey=LZJDPXGFTKZILT-UHFFFAOYSA-N137.7Ex 153.00(BP est) -63.16(MP est) ----(BP exp) ----(MP exp) IC(C)=C(C)C -63.2PredN
CCCC(I)=C10210196.031C5H9I2-iodopent-1-eneN156CCCC(I)=CInChI=1S/C5H9I/c1-3-4-5(2)6/h2-4H2,1H3InChIKey=WBJCKRGQHYRFNY-UHFFFAOYSA-N130.4Ex 150.58(BP est) -55.22(MP est) ----(BP exp) ----(MP exp) CCCC(I)=C -55.2PredN
IC(C)=CCC10211196.031C5H9I2-iodopent-2-eneN156IC(C)=CCCInChI=1S/C5H9I/c1-3-4-5(2)6/h4H,3H2,1-2H3InChIKey=ZRNBNGVEHVBROQ-UHFFFAOYSA-N137.8Ex 158.95(BP est) -54.44(MP est) ----(BP exp) ----(MP exp) IC(C)=CCC -54.4PredN
C=C(C(C)I)C10212196.031C5H9I3-iodo-2-methylbut-1-eneN156C=C(C(C)I)CInChI=1S/C5H9I/c1-4(2)5(3)6/h5H,1H2,2-3H3InChIKey=RGQLRTHHMDCOJC-UHFFFAOYSA-N136.9Ex 137.13(BP est) -66.65(MP est) ----(BP exp) ----(MP exp) C=C(C(C)I)C -66.7PredN
IC(C)(C=C)C10213196.031C5H9I3-iodo-3-methylbut-1-eneN156IC(C)(C=C)CInChI=1S/C5H9I/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=ROTRJMKHYFVOEJ-UHFFFAOYSA-N127.2Ex 134.34(BP est) -51.78(MP est) ----(BP exp) ----(MP exp) IC(C)(C=C)C -51.8PredN
CCC(C=C)I10214196.031C5H9I3-iodopent-1-eneN156CCC(C=C)IInChI=1S/C5H9I/c1-3-5(6)4-2/h3,5H,1,4H2,2H3InChIKey=LHHUTTQJQKEPKV-UHFFFAOYSA-N130.0Ex 143.26(BP est) -57.88(MP est) ----(BP exp) ----(MP exp) CCC(C=C)I -57.9PredN
CC=C(CC)I10215196.031C5H9I3-iodopent-2-eneN156CC=C(CC)IInChI=1S/C5H9I/c1-3-5(6)4-2/h3H,4H2,1-2H3InChIKey=BVMMZTUSWSDGNO-UHFFFAOYSA-N137.8Ex 158.95(BP est) -54.44(MP est) ----(BP exp) ----(MP exp) CC=C(CC)I -54.4PredN
C=C(CCI)C10216196.031C5H9I4-iodo-2-methylbut-1-eneN156C=C(CCI)CInChI=1S/C5H9I/c1-5(2)3-4-6/h1,3-4H2,2H3InChIKey=WOMUECWVNKNZEP-UHFFFAOYSA-N136.9Ex 150.58(BP est) -55.22(MP est) ----(BP exp) ----(MP exp) C=C(CCI)C -55.2PredN
CC(C=C)CI10217196.031C5H9I4-iodo-3-methylbut-1-eneN156CC(C=C)CIInChI=1S/C5H9I/c1-3-5(2)4-6/h3,5H,1,4H2,2H3InChIKey=HTXMRVNUZBYBAD-UHFFFAOYSA-N130.0Ex 143.26(BP est) -57.88(MP est) ----(BP exp) ----(MP exp) CC(C=C)CI -57.9PredN
IC(CC=C)C10218196.031C5H9I4-iodopent-1-eneN156IC(CC=C)CInChI=1S/C5H9I/c1-3-4-5(2)6/h3,5H,1,4H2,2H3InChIKey=NOQPOCHZSMPMTN-UHFFFAOYSA-N130.0Ex 143.26(BP est) -57.88(MP est) ----(BP exp) ----(MP exp) IC(CC=C)C -57.9PredN
CC=CC(C)I10219196.031C5H9I4-iodopent-2-eneN156CC=CC(C)IInChI=1S/C5H9I/c1-3-4-5(2)6/h3-5H,1-2H3InChIKey=CBKHINNDWVYCIK-UHFFFAOYSA-N137.5Ex 151.75(BP est) -57.06(MP est) ----(BP exp) ----(MP exp) CC=CC(C)I -57.1PredN
ICCCC=C10220196.031C5H9I5-iodopent-1-eneN156ICCCC=CInChI=1S/C5H9I/c1-2-3-4-5-6/h2H,1,3-5H2InChIKey=GTEUBQCAVFVWBL-UHFFFAOYSA-N150.0Ex 156.56(BP est) -46.50(MP est) ----(BP exp) ----(MP exp) ICCCC=C -46.5PredN
C(C)=C(CCI)10221196.031C5H9I5-iodopent-2-eneN156C(C)=C(CCI)InChI=1S/C5H9I/c1-2-3-4-5-6/h2-3H,4-5H2,1H3InChIKey=BTZNWKCNDBNWIM-UHFFFAOYSA-N138.0Ex 164.84(BP est) -45.74(MP est) ----(BP exp) ----(MP exp) C(C)=C(CCI) -45.7PredN
C(CC1)(CC1I)10222196.031C5H9IiodocyclopentaneN156C(CC1)(CC1I)InChI=1S/C5H9I/c6-5-3-1-2-4-5/h5H,1-4H2InChIKey=PCEBAZIVZVIQEO-UHFFFAOYSA-N166.5Ex 165.81(BP est) -37.47(MP est) 166.50(BP exp) ----(MP exp) C(CC1)(CC1I) -37.5PredN
IC1N(O)C=C110235196.975C3H4INO2-iodoazet-1(2H)-olN106IC1N(O)C=C1InChI=1S/C3H4INO/c4-3-1-2-5(3)6/h1-3,6HInChIKey=VWYVBFAJFIVBRI-UHFFFAOYSA-N288.4Ex 288.42(BP est) 60.68(MP est) ----(BP exp) ----(MP exp) IC1N(O)C=C1 60.7PredN
IC1NOC=C110236196.975C3H4INO3-iodo-2,3-dihydroisoxazoleN106IC1NOC=C1InChI=1S/C3H4INO/c4-3-1-2-6-5-3/h1-3,5HInChIKey=DXKCVQQBJSHXLE-UHFFFAOYSA-N207.1Ex 207.09(BP est) 29.50(MP est) ----(BP exp) ----(MP exp) IC1NOC=C1 29.5PredN
IC1=CCON110237196.975C3H4INO3-iodo-2,5-dihydroisoxazoleN106IC1=CCON1InChI=1S/C3H4INO/c4-3-1-2-6-5-3/h1,5H,2H2InChIKey=GXCVQORUYOEZGX-UHFFFAOYSA-N211.1Ex 211.07(BP est) 29.22(MP est) ----(BP exp) ----(MP exp) IC1=CCON1 29.2PredN
IC1=CN(O)C110238196.975C3H4INO3-iodoazet-1(2H)-olN106IC1=CN(O)C1InChI=1S/C3H4INO/c4-3-1-5(6)2-3/h1,6H,2H2InChIKey=VGIZKXXTYMYRQW-UHFFFAOYSA-N291.5Ex 291.54(BP est) 69.97(MP est) ----(BP exp) ----(MP exp) IC1=CN(O)C1 70PredN
IC1CNC1=O10239196.975C3H4INO3-iodoazetidin-2-oneN106IC1CNC1=OInChI=1S/C3H4INO/c4-2-1-5-3(2)6/h2H,1H2,(H,5,6)InChIKey=HKZOZOQZFWKYLZ-UHFFFAOYSA-N291.8Ex 291.81(BP est) 82.21(MP est) ----(BP exp) ----(MP exp) IC1CNC1=O 82.2PredN
IC1=CONC110240196.975C3H4INO4-iodo-2,3-dihydroisoxazoleN106IC1=CONC1InChI=1S/C3H4INO/c4-3-1-5-6-2-3/h2,5H,1H2InChIKey=QYOKNAMPVBOITH-UHFFFAOYSA-N211.1Ex 211.07(BP est) 29.22(MP est) ----(BP exp) ----(MP exp) IC1=CONC1 29.2PredN
IC1=CNOC110241196.975C3H4INO4-iodo-2,5-dihydroisoxazoleN106IC1=CNOC1InChI=1S/C3H4INO/c4-3-1-5-6-2-3/h1,5H,2H2InChIKey=REPOVAUIMLKKTO-UHFFFAOYSA-N211.1Ex 211.07(BP est) 29.22(MP est) ----(BP exp) ----(MP exp) IC1=CNOC1 29.2PredN
IC1=CCN1O10242196.975C3H4INO4-iodoazet-1(2H)-olN106IC1=CCN1OInChI=1S/C3H4INO/c4-3-1-2-5(3)6/h1,6H,2H2InChIKey=SSHLMHGLMROIFA-UHFFFAOYSA-N291.5Ex 291.54(BP est) 69.97(MP est) ----(BP exp) ----(MP exp) IC1=CCN1O 70PredN
O=C1CC(I)N110243196.975C3H4INO4-iodoazetidin-2-oneN106O=C1CC(I)N1InChI=1S/C3H4INO/c4-2-1-3(6)5-2/h2H,1H2,(H,5,6)InChIKey=ZGFNMVURXMUHEQ-UHFFFAOYSA-N291.8Ex 291.81(BP est) 82.21(MP est) ----(BP exp) ----(MP exp) O=C1CC(I)N1 82.2PredN
IC1=CCNO110244196.975C3H4INO5-iodo-2,3-dihydroisoxazoleN106IC1=CCNO1InChI=1S/C3H4INO/c4-3-1-2-5-6-3/h1,5H,2H2InChIKey=XFTCKESNTJBCGX-UHFFFAOYSA-N211.1Ex 211.07(BP est) 29.22(MP est) ----(BP exp) ----(MP exp) IC1=CCNO1 29.2PredN
IC1C=CNO110245196.975C3H4INO5-iodo-2,5-dihydroisoxazoleN106IC1C=CNO1InChI=1S/C3H4INO/c4-3-1-2-5-6-3/h1-3,5HInChIKey=KCVIFBROPNSFLZ-UHFFFAOYSA-N207.1Ex 207.09(BP est) 29.50(MP est) ----(BP exp) ----(MP exp) IC1C=CNO1 29.5PredN
IC(C#C)NO10246196.975C3H4INON-(1-iodoprop-2-yn-1-yl)hydroxylamineN106IC(C#C)NOInChI=1S/C3H4INO/c1-2-3(4)5-6/h1,3,5-6HInChIKey=MUTADSBOKOSEEA-UHFFFAOYSA-N239.6Ex 239.63(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) IC(C#C)NO 40.1PredN
NOC(C#C)I10251196.975C3H4INOO-(1-iodoprop-2-yn-1-yl)hydroxylamineN106NOC(C#C)IInChI=1S/C3H4INO/c1-2-3(4)6-5/h1,3H,5H2InChIKey=BXHQPUFRLHDONV-UHFFFAOYSA-N188.5Ex 188.51(BP est) 21.17(MP est) ----(BP exp) ----(MP exp) NOC(C#C)I 21.2PredN
NOCC#CI10252196.975C3H4INOO-(3-iodoprop-2-yn-1-yl)hydroxylamineN106NOCC#CIInChI=1S/C3H4INO/c4-2-1-3-6-5/h3,5H2InChIKey=AOFWKWUVSYBJIA-UHFFFAOYSA-N208.0Ex 208.01(BP est) 35.86(MP est) ----(BP exp) ----(MP exp) NOCC#CI 35.9PredN
NCC(I)(C1)(C1)10255197.019C4H8IN(1-iodocyclopropyl)methanamineN146NCC(I)(C1)(C1)InChI=1S/C4H8IN/c5-4(3-6)1-2-4/h1-3,6H2InChIKey=AUNMLAVNNHNMRX-UHFFFAOYSA-N185.6Ex 185.55(BP est) 19.76(MP est) ----(BP exp) ----(MP exp) NCC(I)(C1)(C1) 19.8PredN
NCC(C1)(C1I)10256197.019C4H8IN(2-iodocyclopropyl)methanamineN146NCC(C1)(C1I)InChI=1S/C4H8IN/c5-4-1-3(4)2-6/h3-4H,1-2,6H2InChIKey=PFNKKPLCCRFLJN-UHFFFAOYSA-N190.4Ex 190.41(BP est) 7.11(MP est) ----(BP exp) ----(MP exp) NCC(C1)(C1I) 7.1PredN
NC(CI)(C1)(C1)10257197.019C4H8IN1-(iodomethyl)cyclopropan-1-amineN146NC(CI)(C1)(C1)InChI=1S/C4H8IN/c5-3-4(6)1-2-4/h1-3,6H2InChIKey=GGBOADPDHZIXBO-UHFFFAOYSA-N185.6Ex 185.55(BP est) 19.76(MP est) ----(BP exp) ----(MP exp) NC(CI)(C1)(C1) 19.8PredN
NC(I)(CC=C)10258197.019C4H8IN1-iodobut-3-en-1-amineN146NC(I)(CC=C)InChI=1S/C4H8IN/c1-2-3-4(5)6/h2,4H,1,3,6H2InChIKey=WTTQGSWJTJIYSQ-UHFFFAOYSA-N178.9Ex 178.92(BP est) -11.47(MP est) ----(BP exp) ----(MP exp) NC(I)(CC=C) -11.5PredN
NC(CI)(C=C)10259197.019C4H8IN1-iodobut-3-en-2-amineN146NC(CI)(C=C)InChI=1S/C4H8IN/c1-2-4(6)3-5/h2,4H,1,3,6H2InChIKey=UGYLLRAGCBWEIQ-UHFFFAOYSA-N178.9Ex 178.92(BP est) -11.47(MP est) ----(BP exp) ----(MP exp) NC(CI)(C=C) -11.5PredN
NC(I)(C1)(CC1)10260197.019C4H8IN1-iodocyclobutan-1-amineN146NC(I)(C1)(CC1)InChI=1S/C4H8IN/c5-4(6)2-1-3-4/h1-3,6H2InChIKey=NEIJDUVGEPWRLO-UHFFFAOYSA-N187.4Ex 187.43(BP est) 18.55(MP est) ----(BP exp) ----(MP exp) NC(I)(C1)(CC1) 18.6PredN
CNC(I)(C1)(C1)10261197.019C4H8IN1-iodo-N-methylcyclopropan-1-amineN146CNC(I)(C1)(C1)InChI=1S/C4H8IN/c1-6-4(5)2-3-4/h6H,2-3H2,1H3InChIKey=NQADVPBYZXLEGZ-UHFFFAOYSA-N169.2Ex 169.19(BP est) -0.31(MP est) ----(BP exp) ----(MP exp) CNC(I)(C1)(C1) -0.3PredN
CNC(I)(C=C)10262197.019C4H8IN1-iodo-N-methylprop-2-en-1-amineN146CNC(I)(C=C)InChI=1S/C4H8IN/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=VHGLBTGTADXVFQ-UHFFFAOYSA-N162.3Ex 162.34(BP est) -31.61(MP est) ----(BP exp) ----(MP exp) CNC(I)(C=C) -31.6PredN
IC(C)C1CN110263197.019C4H8IN2-(1-iodoethyl)aziridineN146IC(C)C1CN1InChI=1S/C4H8IN/c1-3(5)4-2-6-4/h3-4,6H,2H2,1H3InChIKey=SFKZTUADHDCLRQ-UHFFFAOYSA-N183.2Ex 183.20(BP est) 10.51(MP est) ----(BP exp) ----(MP exp) IC(C)C1CN1 10.5PredN
ICCC1CN110264197.019C4H8IN2-(2-iodoethyl)aziridineN146ICCC1CN1InChI=1S/C4H8IN/c5-2-1-4-3-6-4/h4,6H,1-3H2InChIKey=POLJODWIISMXHW-UHFFFAOYSA-N195.5Ex 195.49(BP est) 21.60(MP est) ----(BP exp) ----(MP exp) ICCC1CN1 21.6PredN
CC1(CI)CN110265197.019C4H8IN2-(iodomethyl)-2-methylaziridineN146CC1(CI)CN1InChI=1S/C4H8IN/c1-4(2-5)3-6-4/h6H,2-3H2,1H3InChIKey=YOVPFICDYNRRLX-UHFFFAOYSA-N184.8Ex 184.75(BP est) 18.35(MP est) ----(BP exp) ----(MP exp) CC1(CI)CN1 18.4PredN
CC1C(CI)N110266197.019C4H8IN2-(iodomethyl)-3-methylaziridineN146CC1C(CI)N1InChI=1S/C4H8IN/c1-3-4(2-5)6-3/h3-4,6H,2H2,1H3InChIKey=WECMVDIRHIXVJX-UHFFFAOYSA-N189.6Ex 189.62(BP est) 17.76(MP est) ----(BP exp) ----(MP exp) CC1C(CI)N1 17.8PredN
ICC1NCC110267197.019C4H8IN2-(iodomethyl)azetidineN146ICC1NCC1InChI=1S/C4H8IN/c5-3-4-1-2-6-4/h4,6H,1-3H2InChIKey=KNLIMBPDVAOISZ-UHFFFAOYSA-N197.3Ex 197.33(BP est) 20.37(MP est) ----(BP exp) ----(MP exp) ICC1NCC1 20.4PredN
IC1(CC)CN110268197.019C4H8IN2-ethyl-2-iodoaziridineN146IC1(CC)CN1InChI=1S/C4H8IN/c1-2-4(5)3-6-4/h6H,2-3H2,1H3InChIKey=IBMVDCGMYBSJDQ-UHFFFAOYSA-N184.8Ex 184.75(BP est) 18.35(MP est) ----(BP exp) ----(MP exp) IC1(CC)CN1 18.4PredN
IC1C(CC)N110269197.019C4H8IN2-ethyl-3-iodoaziridineN146IC1C(CC)N1InChI=1S/C4H8IN/c1-2-3-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=OGOFLXRAJFKSSG-UHFFFAOYSA-N189.6Ex 189.62(BP est) 17.76(MP est) ----(BP exp) ----(MP exp) IC1C(CC)N1 17.8PredN
NC(C)(C1)(C1I)10270197.019C4H8IN2-iodo-1-methylcyclopropan-1-amineN146NC(C)(C1)(C1I)InChI=1S/C4H8IN/c1-4(6)2-3(4)5/h3H,2,6H2,1H3InChIKey=ZVPXJNGPXSEUMJ-UHFFFAOYSA-N179.6Ex 179.55(BP est) 15.89(MP est) ----(BP exp) ----(MP exp) NC(C)(C1)(C1I) 15.9PredN
CC1C(I)(C)N110271197.019C4H8IN2-iodo-2,3-dimethylaziridineN146CC1C(I)(C)N1InChI=1S/C4H8IN/c1-3-4(2,5)6-3/h3,6H,1-2H3InChIKey=CGLYVGOVLWQRHC-UHFFFAOYSA-N178.7Ex 178.74(BP est) 26.54(MP est) ----(BP exp) ----(MP exp) CC1C(I)(C)N1 26.5PredN
IC1(C)NCC110272197.019C4H8IN2-iodo-2-methylazetidineN146IC1(C)NCC1InChI=1S/C4H8IN/c1-4(5)2-3-6-4/h6H,2-3H2,1H3InChIKey=WEWATPIYBRMPCL-UHFFFAOYSA-N186.6Ex 186.63(BP est) 29.20(MP est) ----(BP exp) ----(MP exp) IC1(C)NCC1 29.2PredN
IC1NCC1C10273197.019C4H8IN2-iodo-3-methylazetidineN146IC1NCC1CInChI=1S/C4H8IN/c1-3-2-6-4(3)5/h3-4,6H,2H2,1H3InChIKey=NMYSCHYROHUYKK-UHFFFAOYSA-N191.5Ex 191.48(BP est) 16.55(MP est) ----(BP exp) ----(MP exp) IC1NCC1C 16.6PredN
IC1CC(C)N110274197.019C4H8IN2-iodo-4-methylazetidineN146IC1CC(C)N1InChI=1S/C4H8IN/c1-3-2-4(5)6-3/h3-4,6H,2H2,1H3InChIKey=XHQCNLJYKWDEHX-UHFFFAOYSA-N191.5Ex 191.48(BP est) 16.55(MP est) ----(BP exp) ----(MP exp) IC1CC(C)N1 16.6PredN
NC(C(I)C=C)10275197.019C4H8IN2-iodobut-3-en-1-amineN146NC(C(I)C=C)InChI=1S/C4H8IN/c1-2-4(5)3-6/h2,4H,1,3,6H2InChIKey=WKUIIANDLLWGEA-UHFFFAOYSA-N178.9Ex 178.92(BP est) -11.47(MP est) ----(BP exp) ----(MP exp) NC(C(I)C=C) -11.5PredN
NC(I)(C)(C=C)10276197.019C4H8IN2-iodobut-3-en-2-amineN146NC(I)(C)(C=C)InChI=1S/C4H8IN/c1-3-4(2,5)6/h3H,1,6H2,2H3InChIKey=RGWHIRMDJFURKV-UHFFFAOYSA-N170.6Ex 170.59(BP est) -5.20(MP est) ----(BP exp) ----(MP exp) NC(I)(C)(C=C) -5.2PredN
NC(C1)(C(I)C1)10277197.019C4H8IN2-iodocyclobutan-1-amineN146NC(C1)(C(I)C1)InChI=1S/C4H8IN/c5-3-1-2-4(3)6/h3-4H,1-2,6H2InChIKey=OCZOTGVWHRLVLS-UHFFFAOYSA-N192.3Ex 192.27(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) NC(C1)(C(I)C1) 5.9PredN
CNC(C1)(C1I)10278197.019C4H8IN2-iodo-N-methylcyclopropan-1-amineN146CNC(C1)(C1I)InChI=1S/C4H8IN/c1-6-4-2-3(4)5/h3-4,6H,2H2,1H3InChIKey=NZCQHUKFIRICQJ-UHFFFAOYSA-N174.2Ex 174.23(BP est) -12.92(MP est) ----(BP exp) ----(MP exp) CNC(C1)(C1I) -12.9PredN
CNC(C(I)=C)10279197.019C4H8IN2-iodo-N-methylprop-2-en-1-amineN146CNC(C(I)=C)InChI=1S/C4H8IN/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=QBOZKUJOOCCVHD-UHFFFAOYSA-N169.4Ex 169.41(BP est) -29.03(MP est) ----(BP exp) ----(MP exp) CNC(C(I)=C) -29PredN
C(C1)NC(I)(C1)10280197.019C4H8IN2-iodopyrrolidineN146C(C1)NC(I)(C1)InChI=1S/C4H8IN/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=MDUOBSUNZZYYBT-UHFFFAOYSA-N199.2Ex 199.16(BP est) 19.15(MP est) ----(BP exp) ----(MP exp) C(C1)NC(I)(C1) 19.2PredN
ICC1CNC110281197.019C4H8IN3-(iodomethyl)azetidineN146ICC1CNC1InChI=1S/C4H8IN/c5-1-4-2-6-3-4/h4,6H,1-3H2InChIKey=VMZSAYHSXIEXDD-UHFFFAOYSA-N197.3Ex 197.33(BP est) 20.37(MP est) ----(BP exp) ----(MP exp) ICC1CNC1 20.4PredN
IC1C(C)(C)N110282197.019C4H8IN3-iodo-2,2-dimethylaziridineN146IC1C(C)(C)N1InChI=1S/C4H8IN/c1-4(2)3(5)6-4/h3,6H,1-2H3InChIKey=QRNFQYXRHWUARB-UHFFFAOYSA-N178.7Ex 178.74(BP est) 26.54(MP est) ----(BP exp) ----(MP exp) IC1C(C)(C)N1 26.5PredN
CC1NCC1I10283197.019C4H8IN3-iodo-2-methylazetidineN146CC1NCC1IInChI=1S/C4H8IN/c1-3-4(5)2-6-3/h3-4,6H,2H2,1H3InChIKey=XJDFPEXYNSZIES-UHFFFAOYSA-N191.5Ex 191.48(BP est) 16.55(MP est) ----(BP exp) ----(MP exp) CC1NCC1I 16.6PredN
IC1(C)CNC110284197.019C4H8IN3-iodo-3-methylazetidineN146IC1(C)CNC1InChI=1S/C4H8IN/c1-4(5)2-6-3-4/h6H,2-3H2,1H3InChIKey=PCYQPRYVDGVUDM-UHFFFAOYSA-N186.6Ex 186.63(BP est) 29.20(MP est) ----(BP exp) ----(MP exp) IC1(C)CNC1 29.2PredN
NC(CC(I)=C)10285197.019C4H8IN3-iodobut-3-en-1-amineN146NC(CC(I)=C)InChI=1S/C4H8IN/c1-4(5)2-3-6/h1-3,6H2InChIKey=HYFUGHFKCIBBBX-UHFFFAOYSA-N185.8Ex 185.75(BP est) -8.96(MP est) ----(BP exp) ----(MP exp) NC(CC(I)=C) -9PredN
NC(C)(C(I)=C)10286197.019C4H8IN3-iodobut-3-en-2-amineN146NC(C)(C(I)=C)InChI=1S/C4H8IN/c1-3(5)4(2)6/h4H,1,6H2,2H3InChIKey=PXCGUKDOYRFQNR-UHFFFAOYSA-N173.2Ex 173.20(BP est) -20.13(MP est) ----(BP exp) ----(MP exp) NC(C)(C(I)=C) -20.1PredN
NC(C1)(CC1I)10287197.019C4H8IN3-iodocyclobutan-1-amineN146NC(C1)(CC1I)InChI=1S/C4H8IN/c5-3-1-4(6)2-3/h3-4H,1-2,6H2InChIKey=URMGMPWLVPQMKC-UHFFFAOYSA-N192.3Ex 192.27(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) NC(C1)(CC1I) 5.9PredN
CNC(C=CI)10288197.019C4H8IN3-iodo-N-methylprop-2-en-1-amineN146CNC(C=CI)InChI=1S/C4H8IN/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=VJBCGYPWZZGCLP-UHFFFAOYSA-N183.2Ex 183.15(BP est) -19.70(MP est) ----(BP exp) ----(MP exp) CNC(C=CI) -19.7PredN
C(C1)NC(C1I)10289197.019C4H8IN3-iodopyrrolidineN146C(C1)NC(C1I)InChI=1S/C4H8IN/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=OHOSNNNRKXUISL-UHFFFAOYSA-N199.2Ex 199.16(BP est) 19.15(MP est) ----(BP exp) ----(MP exp) C(C1)NC(C1I) 19.2PredN
NC(CC=CI)10290197.019C4H8IN4-iodobut-3-en-1-amineN146NC(CC=CI)InChI=1S/C4H8IN/c5-3-1-2-4-6/h1,3H,2,4,6H2InChIKey=YQYGQNQSVBYFRD-UHFFFAOYSA-N199.0Ex 199.03(BP est) 0.24(MP est) ----(BP exp) ----(MP exp) NC(CC=CI) 0.2PredN
NC(C)(C=CI)10291197.019C4H8IN4-iodobut-3-en-2-amineN146NC(C)(C=CI)InChI=1S/C4H8IN/c1-4(6)2-3-5/h2-4H,6H2,1H3InChIKey=IZPUTYDDUMQLQP-UHFFFAOYSA-N186.8Ex 186.83(BP est) -10.82(MP est) ----(BP exp) ----(MP exp) NC(C)(C=CI) -10.8PredN
NC(I)C(C1)(C1)10292197.019C4H8INcyclopropyliodomethanamineN146NC(I)C(C1)(C1)InChI=1S/C4H8IN/c5-4(6)3-1-2-3/h3-4H,1-2,6H2InChIKey=DBTLRYSMCOGMAZ-UHFFFAOYSA-N184.0Ex 184.00(BP est) -0.14(MP est) ----(BP exp) ----(MP exp) NC(I)C(C1)(C1) -0.1PredN
C(I)NC(C1)(C1)10293197.019C4H8INN-(iodomethyl)cyclopropanamineN146C(I)NC(C1)(C1)InChI=1S/C4H8IN/c5-3-6-4-1-2-4/h4,6H,1-3H2InChIKey=BQIJTIHHLOXOHI-UHFFFAOYSA-N180.3Ex 180.29(BP est) -9.03(MP est) ----(BP exp) ----(MP exp) C(I)NC(C1)(C1) -9PredN
C(I)NC(C=C)10294197.019C4H8INN-(iodomethyl)prop-2-en-1-amineN146C(I)NC(C=C)InChI=1S/C4H8IN/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=RICVMBIUWFZEAW-UHFFFAOYSA-N175.2Ex 175.17(BP est) -20.37(MP est) ----(BP exp) ----(MP exp) C(I)NC(C=C) -20.4PredN
BrC(C1)=C1Br10300197.857C3H2Br21,2-dibromocycloprop-1-eneN75BrC(C1)=C1BrInChI=1S/C3H2Br2/c4-2-1-3(2)5/h1H2InChIKey=VTOBRKIUPUIWEG-UHFFFAOYSA-N162.5Ex 162.52(BP est) -0.39(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1Br -0.4PredN
BrC1=CC1Br10301197.857C3H2Br21,3-dibromocycloprop-1-eneN75BrC1=CC1BrInChI=1S/C3H2Br2/c4-2-1-3(2)5/h1-2HInChIKey=RAGZCCDVCXVZFD-UHFFFAOYSA-N158.1Ex 158.11(BP est) -10.06(MP est) ----(BP exp) ----(MP exp) BrC1=CC1Br -10.1PredN
C(Br)(C#CBr)10302197.857C3H2Br21,3-dibromoprop-1-yneN75C(Br)(C#CBr)InChI=1S/C3H2Br2/c4-2-1-3-5/h2H2InChIKey=DWKIXODUXSEILO-UHFFFAOYSA-N169.1Ex 169.05(BP est) 7.81(MP est) ----(BP exp) ----(MP exp) C(Br)(C#CBr) 7.8PredN
BrC1(Br)C=C110303197.857C3H2Br23,3-dibromocycloprop-1-eneN75BrC1(Br)C=C1InChI=1S/C3H2Br2/c4-3(5)1-2-3/h1-2HInChIKey=UIVCYOPPNWBKLH-UHFFFAOYSA-N148.4Ex 148.42(BP est) -7.19(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C=C1 -7.2PredN
BrC(C#C)Br10304197.857C3H2Br23,3-dibromoprop-1-yneN75BrC(C#C)BrInChI=1S/C3H2Br2/c1-2-3(4)5/h1,3HInChIKey=BAONKRRLDYUASD-UHFFFAOYSA-N147.9Ex 147.85(BP est) -12.67(MP est) ----(BP exp) ----(MP exp) BrC(C#C)Br -12.7PredN
O=PC#CI10305197.899C2IOP(iodoethynyl)(oxo)phosphaneN55O=PC#CIInChI=1S/C2IOP/c3-1-2-5-4InChIKey=LBBBOQKFAMSREV-UHFFFAOYSA-N204.7Ex 204.67(BP est) 27.12(MP est) ----(BP exp) ----(MP exp) O=PC#CI 27.1PredN
PC(I)C#C10306197.943C3H4IP(1-iodoprop-2-yn-1-yl)phosphaneN95PC(I)C#CInChI=1S/C3H4IP/c1-2-3(4)5/h1,3H,5H2InChIKey=YKAKLIQPJUAJKP-UHFFFAOYSA-N164.3Ex 164.26(BP est) -22.97(MP est) ----(BP exp) ----(MP exp) PC(I)C#C -23PredN
PCC#CI10307197.943C3H4IP(3-iodoprop-2-yn-1-yl)phosphaneN95PCC#CIInChI=1S/C3H4IP/c4-2-1-3-5/h3,5H2InChIKey=UEFKGXSLVSSZKJ-UHFFFAOYSA-N184.8Ex 184.79(BP est) 20.09(MP est) ----(BP exp) ----(MP exp) PCC#CI 20.1PredN
CPC#CI10308197.943C3H4IP(iodoethynyl)(methyl)phosphaneN95CPC#CIInChI=1S/C3H4IP/c1-5-3-2-4/h5H,1H3InChIKey=YAACHFDBOMVHLH-UHFFFAOYSA-N166.8Ex 166.77(BP est) 6.64(MP est) ----(BP exp) ----(MP exp) CPC#CI 6.6PredN
IC1C=CP110309197.943C3H4IP2-iodo-1,2-dihydrophospheteN95IC1C=CP1InChI=1S/C3H4IP/c4-3-1-2-5-3/h1-3,5HInChIKey=PSDXSYFRZJKQOK-UHFFFAOYSA-N157.7Ex 157.65(BP est) -39.72(MP est) ----(BP exp) ----(MP exp) IC1C=CP1 -39.7PredN
IC1=CPC110310197.943C3H4IP3-iodo-1,2-dihydrophospheteN95IC1=CPC1InChI=1S/C3H4IP/c4-3-1-5-2-3/h1,5H,2H2InChIKey=MYGXVOWLBTTXDQ-UHFFFAOYSA-N162.1Ex 162.07(BP est) -30.05(MP est) ----(BP exp) ----(MP exp) IC1=CPC1 -30.1PredN
IC1=CCP110311197.943C3H4IP4-iodo-1,2-dihydrophospheteN95IC1=CCP1InChI=1S/C3H4IP/c4-3-1-2-5-3/h1,5H,2H2InChIKey=AOGBZOAHQAJKHK-UHFFFAOYSA-N162.1Ex 162.07(BP est) -30.05(MP est) ----(BP exp) ----(MP exp) IC1=CCP1 -30.1PredN
ICPC#C10312197.943C3H4IPethynyl(iodomethyl)phosphaneN95ICPC#CInChI=1S/C3H4IP/c1-2-5-3-4/h1,5H,3H2InChIKey=ZNIQGFHEEOXEKR-UHFFFAOYSA-N158.7Ex 158.73(BP est) -25.27(MP est) ----(BP exp) ----(MP exp) ICPC#C -25.3PredN
I/C=C\C(O)=O10313197.959C3H3IO23-iodoacrylic acidN96I/C=C\C(O)=OInChI=1S/C3H3IO2/c4-2-1-3(5)6/h1-2H,(H,5,6)InChIKey=IBFDLVHJHUMSAC-UHFFFAOYSA-N245.3Ex 245.26(BP est) 46.77(MP est) ----(BP exp) ----(MP exp) I/C=C\C(O)=O 46.8PredY(Kladi et al. 2004)
C(F)(I)=C(C1)(C1)10314197.979C4H4FI(fluoroiodomethylene)cyclopropaneN106C(F)(I)=C(C1)(C1)InChI=1S/C4H4FI/c5-4(6)3-1-2-3/h1-2H2InChIKey=MSKZLVMVBKMTGQ-UHFFFAOYSA-N145.4Ex 145.41(BP est) -44.92(MP est) ----(BP exp) ----(MP exp) C(F)(I)=C(C1)(C1) -44.9PredN
FC(I)C1=CC110315197.979C4H4FI1-(fluoroiodomethyl)cycloprop-1-eneN106FC(I)C1=CC1InChI=1S/C4H4FI/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=HMMRIVADPIDYDC-UHFFFAOYSA-N136.0Ex 136.02(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) FC(I)C1=CC1 -46.7PredN
IC(C1)=C1CF10316197.979C4H4FI1-(fluoromethyl)-2-iodocycloprop-1-eneN106IC(C1)=C1CFInChI=1S/C4H4FI/c5-2-3-1-4(3)6/h1-2H2InChIKey=SMHOZXROBARCEI-UHFFFAOYSA-N147.6Ex 147.60(BP est) -29.58(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1CF -29.6PredN
FCC1=CC1I10317197.979C4H4FI1-(fluoromethyl)-3-iodocycloprop-1-eneN106FCC1=CC1IInChI=1S/C4H4FI/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=LWPUSPWRHMZZBO-UHFFFAOYSA-N143.1Ex 143.06(BP est) -39.29(MP est) ----(BP exp) ----(MP exp) FCC1=CC1I -39.3PredN
C(F)=C(C1)(C1I)10318197.979C4H4FI1-(fluoromethylene)-2-iodocyclopropaneN106C(F)=C(C1)(C1I)InChI=1S/C4H4FI/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=BRYORVLCHHBJBI-UHFFFAOYSA-N145.0Ex 145.03(BP est) -40.17(MP est) ----(BP exp) ----(MP exp) C(F)=C(C1)(C1I) -40.2PredN
C=C(C1)(C1(F)I)10319197.979C4H4FI1-fluoro-1-iodo-2-methylenecyclopropaneN106C=C(C1)(C1(F)I)InChI=1S/C4H4FI/c1-3-2-4(3,5)6/h1-2H2InChIKey=FZFDJNAASMGQNP-UHFFFAOYSA-N124.4Ex 124.38(BP est) -32.59(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C1(F)I) -32.6PredN
C(C)#C(C(F)I)10320197.979C4H4FI1-fluoro-1-iodobut-2-yneN106C(C)#C(C(F)I)InChI=1S/C4H4FI/c1-2-3-4(5)6/h4H,1H3InChIKey=IHTPPBNRNLWSQT-UHFFFAOYSA-N141.0Ex 140.95(BP est) -9.97(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(F)I) -10PredN
C=C(C=C(F)I)10321197.979C4H4FI1-fluoro-1-iodobuta-1,3-dieneN106C=C(C=C(F)I)InChI=1S/C4H4FI/c1-2-3-4(5)6/h2-3H,1H2InChIKey=DLFQDUOJMKUIOO-UHFFFAOYSA-N137.3Ex 137.33(BP est) -66.97(MP est) ----(BP exp) ----(MP exp) C=C(C=C(F)I) -67PredN
FC(C1)=C1CI10322197.979C4H4FI1-fluoro-2-(iodomethyl)cycloprop-1-eneN106FC(C1)=C1CIInChI=1S/C4H4FI/c5-4-1-3(4)2-6/h1-2H2InChIKey=GCXJMQMQJVMKNM-UHFFFAOYSA-N147.6Ex 147.60(BP est) -29.58(MP est) ----(BP exp) ----(MP exp) FC(C1)=C1CI -29.6PredN
C(I)=C(C1)(C1F)10323197.979C4H4FI1-fluoro-2-(iodomethylene)cyclopropaneN106C(I)=C(C1)(C1F)InChI=1S/C4H4FI/c5-4-1-3(4)2-6/h2,4H,1H2InChIKey=TYUVGFHUKLZFEY-UHFFFAOYSA-N145.0Ex 145.03(BP est) -40.17(MP est) ----(BP exp) ----(MP exp) C(I)=C(C1)(C1F) -40.2PredN
IC(C1C)=C1F10324197.979C4H4FI1-fluoro-2-iodo-3-methylcycloprop-1-eneN106IC(C1C)=C1FInChI=1S/C4H4FI/c1-2-3(5)4(2)6/h2H,1H3InChIKey=GISJOYYYIAATAQ-UHFFFAOYSA-N141.1Ex 141.14(BP est) -33.59(MP est) ----(BP exp) ----(MP exp) IC(C1C)=C1F -33.6PredN
C=C(C1I)(C1F)10325197.979C4H4FI1-fluoro-2-iodo-3-methylenecyclopropaneN106C=C(C1I)(C1F)InChI=1S/C4H4FI/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=BZTRIHOGNPXGJZ-UHFFFAOYSA-N129.9Ex 129.85(BP est) -45.07(MP est) ----(BP exp) ----(MP exp) C=C(C1I)(C1F) -45.1PredN
C=C(C(I)=CF)10326197.979C4H4FI1-fluoro-2-iodobuta-1,3-dieneN106C=C(C(I)=CF)InChI=1S/C4H4FI/c1-2-4(6)3-5/h2-3H,1H2InChIKey=KDUIZAVAXHDXAZ-UHFFFAOYSA-N137.3Ex 137.33(BP est) -66.97(MP est) ----(BP exp) ----(MP exp) C=C(C(I)=CF) -67PredN
C(C1)(C(I)=C1F)10327197.979C4H4FI1-fluoro-2-iodocyclobut-1-eneN106C(C1)(C(I)=C1F)InChI=1S/C4H4FI/c5-3-1-2-4(3)6/h1-2H2InChIKey=VDBHNJAHILEEOT-UHFFFAOYSA-N149.6Ex 149.63(BP est) -30.75(MP est) ----(BP exp) ----(MP exp) C(C1)(C(I)=C1F) -30.8PredN
FC1=CC1CI10328197.979C4H4FI1-fluoro-3-(iodomethyl)cycloprop-1-eneN106FC1=CC1CIInChI=1S/C4H4FI/c5-4-1-3(4)2-6/h1,3H,2H2InChIKey=NELZVNITARFJHB-UHFFFAOYSA-N143.1Ex 143.06(BP est) -39.29(MP est) ----(BP exp) ----(MP exp) FC1=CC1CI -39.3PredN
FC(C1I)=C1C10329197.979C4H4FI1-fluoro-3-iodo-2-methylcycloprop-1-eneN106FC(C1I)=C1CInChI=1S/C4H4FI/c1-2-3(5)4(2)6/h4H,1H3InChIKey=VYGORLDRJZIBJQ-UHFFFAOYSA-N141.1Ex 141.14(BP est) -33.59(MP est) ----(BP exp) ----(MP exp) FC(C1I)=C1C -33.6PredN
FC1=CC1(C)I10330197.979C4H4FI1-fluoro-3-iodo-3-methylcycloprop-1-eneN106FC1=CC1(C)IInChI=1S/C4H4FI/c1-4(6)2-3(4)5/h2H,1H3InChIKey=ZTWUXZPAFDAUPI-UHFFFAOYSA-N131.1Ex 131.14(BP est) -30.82(MP est) ----(BP exp) ----(MP exp) FC1=CC1(C)I -30.8PredN
C(C(I)C#CF)10331197.979C4H4FI1-fluoro-3-iodobut-1-yneN106C(C(I)C#CF)InChI=1S/C4H4FI/c1-4(6)2-3-5/h4H,1H3InChIKey=QGWDZFGKTPZBFV-UHFFFAOYSA-N141.0Ex 140.95(BP est) -9.97(MP est) ----(BP exp) ----(MP exp) C(C(I)C#CF) -10PredN
C=C(I)(C=CF)10332197.979C4H4FI1-fluoro-3-iodobuta-1,3-dieneN106C=C(I)(C=CF)InChI=1S/C4H4FI/c1-4(6)2-3-5/h2-3H,1H2InChIKey=LPFZVXLJLZTZMM-UHFFFAOYSA-N137.3Ex 137.33(BP est) -66.97(MP est) ----(BP exp) ----(MP exp) C=C(I)(C=CF) -67PredN
C(C1I)(C(F)=C1)10333197.979C4H4FI1-fluoro-3-iodocyclobut-1-eneN106C(C1I)(C(F)=C1)InChI=1S/C4H4FI/c5-3-1-4(6)2-3/h1,4H,2H2InChIKey=UXHFQRBLJHOUMN-UHFFFAOYSA-N145.1Ex 145.10(BP est) -40.45(MP est) ----(BP exp) ----(MP exp) C(C1I)(C(F)=C1) -40.5PredN
C(I)(CC#CF)10334197.979C4H4FI1-fluoro-4-iodobut-1-yneN106C(I)(CC#CF)InChI=1S/C4H4FI/c5-3-1-2-4-6/h2,4H2InChIKey=JNUPTMJGXVLYEO-UHFFFAOYSA-N154.3Ex 154.31(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) C(I)(CC#CF) 1.4PredN
C(CI)#C(CF)10335197.979C4H4FI1-fluoro-4-iodobut-2-yneN106C(CI)#C(CF)InChI=1S/C4H4FI/c5-3-1-2-4-6/h3-4H2InChIKey=KPBHMQFEHDKENG-UHFFFAOYSA-N154.3Ex 154.31(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) C(CI)#C(CF) 1.4PredN
C(I)=C(C=CF)10336197.979C4H4FI1-fluoro-4-iodobuta-1,3-dieneN106C(I)=C(C=CF)InChI=1S/C4H4FI/c5-3-1-2-4-6/h1-4HInChIKey=PJFNAIFXKHLLHU-UHFFFAOYSA-N151.9Ex 151.94(BP est) -57.39(MP est) ----(BP exp) ----(MP exp) C(I)=C(C=CF) -57.4PredN
C(C1I)(C=C1F)10337197.979C4H4FI1-fluoro-4-iodocyclobut-1-eneN106C(C1I)(C=C1F)InChI=1S/C4H4FI/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=OBQCSVGIATUWRU-UHFFFAOYSA-N145.1Ex 145.10(BP est) -40.45(MP est) ----(BP exp) ----(MP exp) C(C1I)(C=C1F) -40.5PredN
C=C(C(F)=CI)10338197.979C4H4FI2-fluoro-1-iodobuta-1,3-dieneN106C=C(C(F)=CI)InChI=1S/C4H4FI/c1-2-4(5)3-6/h2-3H,1H2InChIKey=QDMYSOIBHONWOQ-UHFFFAOYSA-N137.3Ex 137.33(BP est) -66.97(MP est) ----(BP exp) ----(MP exp) C=C(C(F)=CI) -67PredN
C=C(I)(C(F)=C)10339197.979C4H4FI2-fluoro-3-iodobuta-1,3-dieneN106C=C(I)(C(F)=C)InChI=1S/C4H4FI/c1-3(5)4(2)6/h1-2H2InChIKey=FHAJKDPYEMEHEA-UHFFFAOYSA-N122.3Ex 122.33(BP est) -76.67(MP est) ----(BP exp) ----(MP exp) C=C(I)(C(F)=C) -76.7PredN
FC(I)C1C=C110340197.979C4H4FI3-(fluoroiodomethyl)cycloprop-1-eneN106FC(I)C1C=C1InChI=1S/C4H4FI/c5-4(6)3-1-2-3/h1-4HInChIKey=FYBNZGPBYZTDBL-UHFFFAOYSA-N131.4Ex 131.39(BP est) -56.46(MP est) ----(BP exp) ----(MP exp) FC(I)C1C=C1 -56.5PredN
IC1=CC1CF10341197.979C4H4FI3-(fluoromethyl)-1-iodocycloprop-1-eneN106IC1=CC1CFInChI=1S/C4H4FI/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=CXSFZMUJXRWZDU-UHFFFAOYSA-N143.1Ex 143.06(BP est) -39.29(MP est) ----(BP exp) ----(MP exp) IC1=CC1CF -39.3PredN
IC1(CF)C=C110342197.979C4H4FI3-(fluoromethyl)-3-iodocycloprop-1-eneN106IC1(CF)C=C1InChI=1S/C4H4FI/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=FRCJNBXVRNKJBP-UHFFFAOYSA-N133.1Ex 133.10(BP est) -36.51(MP est) ----(BP exp) ----(MP exp) IC1(CF)C=C1 -36.5PredN
ICC1=CC1F10343197.979C4H4FI3-fluoro-1-(iodomethyl)cycloprop-1-eneN106ICC1=CC1FInChI=1S/C4H4FI/c5-4-1-3(4)2-6/h1,4H,2H2InChIKey=BSEZMUFXHQELSY-UHFFFAOYSA-N143.1Ex 143.06(BP est) -39.29(MP est) ----(BP exp) ----(MP exp) ICC1=CC1F -39.3PredN
IC(C1F)=C1C10344197.979C4H4FI3-fluoro-1-iodo-2-methylcycloprop-1-eneN106IC(C1F)=C1CInChI=1S/C4H4FI/c1-2-3(5)4(2)6/h3H,1H3InChIKey=CDTUQPGMZMFJIH-UHFFFAOYSA-N141.1Ex 141.14(BP est) -33.59(MP est) ----(BP exp) ----(MP exp) IC(C1F)=C1C -33.6PredN
IC1=CC1(C)F10345197.979C4H4FI3-fluoro-1-iodo-3-methylcycloprop-1-eneN106IC1=CC1(C)FInChI=1S/C4H4FI/c1-4(5)2-3(4)6/h2H,1H3InChIKey=YOBLEXBGUAWGEY-UHFFFAOYSA-N131.1Ex 131.14(BP est) -30.82(MP est) ----(BP exp) ----(MP exp) IC1=CC1(C)F -30.8PredN
C(C(F)C#CI)10346197.979C4H4FI3-fluoro-1-iodobut-1-yneN106C(C(F)C#CI)InChI=1S/C4H4FI/c1-4(5)2-3-6/h4H,1H3InChIKey=WOSDLSNCGFUOMR-UHFFFAOYSA-N141.0Ex 140.95(BP est) -9.97(MP est) ----(BP exp) ----(MP exp) C(C(F)C#CI) -10PredN
C=C(F)(C=CI)10347197.979C4H4FI3-fluoro-1-iodobuta-1,3-dieneN106C=C(F)(C=CI)InChI=1S/C4H4FI/c1-4(5)2-3-6/h2-3H,1H2InChIKey=AIWMHPMVNIMZIN-UHFFFAOYSA-N137.3Ex 137.33(BP est) -66.97(MP est) ----(BP exp) ----(MP exp) C=C(F)(C=CI) -67PredN
C(C1F)(C(I)=C1)10348197.979C4H4FI3-fluoro-1-iodocyclobut-1-eneN106C(C1F)(C(I)=C1)InChI=1S/C4H4FI/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=GKIBJONDSFWBOH-UHFFFAOYSA-N145.1Ex 145.10(BP est) -40.45(MP est) ----(BP exp) ----(MP exp) C(C1F)(C(I)=C1) -40.5PredN
FC1(CI)C=C110349197.979C4H4FI3-fluoro-3-(iodomethyl)cycloprop-1-eneN106FC1(CI)C=C1InChI=1S/C4H4FI/c5-4(3-6)1-2-4/h1-2H,3H2InChIKey=DVOIXSYHVBGVRW-UHFFFAOYSA-N133.1Ex 133.10(BP est) -36.51(MP est) ----(BP exp) ----(MP exp) FC1(CI)C=C1 -36.5PredN
CC1=CC1(I)F10350197.979C4H4FI3-fluoro-3-iodo-1-methylcycloprop-1-eneN106CC1=CC1(I)FInChI=1S/C4H4FI/c1-3-2-4(3,5)6/h2H,1H3InChIKey=KCTINCJPYHRXKT-UHFFFAOYSA-N131.1Ex 131.14(BP est) -30.82(MP est) ----(BP exp) ----(MP exp) CC1=CC1(I)F -30.8PredN
C(C(F)(I)C#C)10351197.979C4H4FI3-fluoro-3-iodobut-1-yneN106C(C(F)(I)C#C)InChI=1S/C4H4FI/c1-3-4(2,5)6/h1H,2H3InChIKey=PSLLNYAVEBSQBL-UHFFFAOYSA-N123.4Ex 123.42(BP est) -35.94(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)C#C) -35.9PredN
C(C1(F)I)(C=C1)10352197.979C4H4FI3-fluoro-3-iodocyclobut-1-eneN106C(C1(F)I)(C=C1)InChI=1S/C4H4FI/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=YMTOEVDOUPPUBR-UHFFFAOYSA-N135.2Ex 135.18(BP est) -37.66(MP est) ----(BP exp) ----(MP exp) C(C1(F)I)(C=C1) -37.7PredN
C(I)(C(F)C#C)10353197.979C4H4FI3-fluoro-4-iodobut-1-yneN106C(I)(C(F)C#C)InChI=1S/C4H4FI/c1-2-4(5)3-6/h1,4H,3H2InChIKey=SSBDHEKIVBOFRQ-UHFFFAOYSA-N132.5Ex 132.51(BP est) -41.99(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)C#C) -42PredN
C(I)(C1F)(C=C1)10354197.979C4H4FI3-fluoro-4-iodocyclobut-1-eneN106C(I)(C1F)(C=C1)InChI=1S/C4H4FI/c5-3-1-2-4(3)6/h1-4HInChIKey=BOUMPGMZYWQLPN-UHFFFAOYSA-N140.5Ex 140.54(BP est) -50.16(MP est) ----(BP exp) ----(MP exp) C(I)(C1F)(C=C1) -50.2PredN
C(F)(CC#CI)10355197.979C4H4FI4-fluoro-1-iodobut-1-yneN106C(F)(CC#CI)InChI=1S/C4H4FI/c5-3-1-2-4-6/h1,3H2InChIKey=MASNAGOMBFHWFH-UHFFFAOYSA-N154.3Ex 154.31(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) C(F)(CC#CI) 1.4PredN
C(C1F)(C=C1I)10356197.979C4H4FI4-fluoro-1-iodocyclobut-1-eneN106C(C1F)(C=C1I)InChI=1S/C4H4FI/c5-3-1-2-4(3)6/h2-3H,1H2InChIKey=YCBZGQGWVCDFQX-UHFFFAOYSA-N145.1Ex 145.10(BP est) -40.45(MP est) ----(BP exp) ----(MP exp) C(C1F)(C=C1I) -40.5PredN
C(F)(C(I)C#C)10357197.979C4H4FI4-fluoro-3-iodobut-1-yneN106C(F)(C(I)C#C)InChI=1S/C4H4FI/c1-2-4(6)3-5/h1,4H,3H2InChIKey=XQDRWDWYRNAOHT-UHFFFAOYSA-N132.5Ex 132.51(BP est) -41.99(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)C#C) -42PredN
C(F)(I)(CC#C)10358197.979C4H4FI4-fluoro-4-iodobut-1-yneN106C(F)(I)(CC#C)InChI=1S/C4H4FI/c1-2-3-4(5)6/h1,4H,3H2InChIKey=XJJHPRNCIRGGIR-UHFFFAOYSA-N132.5Ex 132.51(BP est) -41.99(MP est) ----(BP exp) ----(MP exp) C(F)(I)(CC#C) -42PredN
OCC(I)(C1)(C1)10359198.003C4H7IO(1-iodocyclopropyl)methanolN136OCC(I)(C1)(C1)InChI=1S/C4H7IO/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=APVODVSDCBGZGY-UHFFFAOYSA-N207.5Ex 207.48(BP est) 14.94(MP est) ----(BP exp) ----(MP exp) OCC(I)(C1)(C1) 14.9PredN
IC(OC=C)C10360198.003C4H7IO(1-iodoethoxy)etheneN136IC(OC=C)CInChI=1S/C4H7IO/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=JGWHQQXMXCYDCF-UHFFFAOYSA-N144.1Ex 144.13(BP est) -52.15(MP est) ----(BP exp) ----(MP exp) IC(OC=C)C -52.2PredN
OCC(C1)(C1I)10361198.003C4H7IO(2-iodocyclopropyl)methanolN136OCC(C1)(C1I)InChI=1S/C4H7IO/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=RZMSXZPEMYZGAS-UHFFFAOYSA-N212.1Ex 212.11(BP est) 2.22(MP est) ----(BP exp) ----(MP exp) OCC(C1)(C1I) 2.2PredN
ICCOC=C10362198.003C4H7IO(2-iodoethoxy)etheneN136ICCOC=CInChI=1S/C4H7IO/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=GKFAEUUIDLYIQV-UHFFFAOYSA-N157.4Ex 157.41(BP est) -40.77(MP est) ----(BP exp) ----(MP exp) ICCOC=C -40.8PredN
C(I)OC(C1)(C1)10363198.003C4H7IO(iodomethoxy)cyclopropaneN136C(I)OC(C1)(C1)InChI=1S/C4H7IO/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=AGESZUPGSLEBKM-UHFFFAOYSA-N162.7Ex 162.71(BP est) -29.37(MP est) ----(BP exp) ----(MP exp) C(I)OC(C1)(C1) -29.4PredN
C(I)OC=C(C)10364198.003C4H7IO1-(iodomethoxy)prop-1-eneN136C(I)OC=C(C)InChI=1S/C4H7IO/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=FQQJAGQOVNSGJQ-UHFFFAOYSA-N165.7Ex 165.67(BP est) -40.02(MP est) ----(BP exp) ----(MP exp) C(I)OC=C(C) -40PredN
OC(CI)(C1)(C1)10365198.003C4H7IO1-(iodomethyl)cyclopropan-1-olN136OC(CI)(C1)(C1)InChI=1S/C4H7IO/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=ORFNXALNSWJFQU-UHFFFAOYSA-N191.7Ex 191.74(BP est) 10.35(MP est) ----(BP exp) ----(MP exp) OC(CI)(C1)(C1) 10.4PredN
CCOC(I)=C10366198.003C4H7IO1-ethoxy-1-iodoetheneN136CCOC(I)=CInChI=1S/C4H7IO/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=CWBRISLTKNWOLC-UHFFFAOYSA-N151.4Ex 151.44(BP est) -49.49(MP est) ----(BP exp) ----(MP exp) CCOC(I)=C -49.5PredN
C(C)OC=C(I)10367198.003C4H7IO1-ethoxy-2-iodoetheneN136C(C)OC=C(I)InChI=1S/C4H7IO/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=VHSVZBSFXQLONY-UHFFFAOYSA-N165.7Ex 165.67(BP est) -40.02(MP est) ----(BP exp) ----(MP exp) C(C)OC=C(I) -40PredN
COC1(CC1)I10368198.003C4H7IO1-iodo-1-methoxycyclopropaneN136COC1(CC1)IInChI=1S/C4H7IO/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=KKANZCDTHXBSMV-UHFFFAOYSA-N151.2Ex 151.22(BP est) -20.78(MP est) ----(BP exp) ----(MP exp) COC1(CC1)I -20.8PredN
COC(I)=CC10369198.003C4H7IO1-iodo-1-methoxyprop-1-eneN136COC(I)=CCInChI=1S/C4H7IO/c1-3-4(5)6-2/h3H,1-2H3InChIKey=YRHZNAGKFARCDF-UHFFFAOYSA-N159.8Ex 159.79(BP est) -48.71(MP est) ----(BP exp) ----(MP exp) COC(I)=CC -48.7PredN
COC1CC1I10370198.003C4H7IO1-iodo-2-methoxycyclopropaneN136COC1CC1IInChI=1S/C4H7IO/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=XTSOWZOULSWCNC-UHFFFAOYSA-N156.4Ex 156.43(BP est) -33.33(MP est) ----(BP exp) ----(MP exp) COC1CC1I -33.3PredN
COC(C)=C(I)10371198.003C4H7IO1-iodo-2-methoxyprop-1-eneN136COC(C)=C(I)InChI=1S/C4H7IO/c1-4(3-5)6-2/h3H,1-2H3InChIKey=BGMMTTFWOPVENT-UHFFFAOYSA-N159.8Ex 159.79(BP est) -48.71(MP est) ----(BP exp) ----(MP exp) COC(C)=C(I) -48.7PredN
COC(C=CI)10372198.003C4H7IO1-iodo-3-methoxyprop-1-eneN136COC(C=CI)InChI=1S/C4H7IO/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=KWFZHOGLANTOTE-UHFFFAOYSA-N165.7Ex 165.67(BP est) -40.02(MP est) ----(BP exp) ----(MP exp) COC(C=CI) -40PredN
OC(I)(CC=C)10373198.003C4H7IO1-iodobut-3-en-1-olN136OC(I)(CC=C)InChI=1S/C4H7IO/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=GIXCWLSUCRCVNG-UHFFFAOYSA-N194.7Ex 194.71(BP est) -18.09(MP est) ----(BP exp) ----(MP exp) OC(I)(CC=C) -18.1PredN
OC(CI)(C=C)10374198.003C4H7IO1-iodobut-3-en-2-olN136OC(CI)(C=C)InChI=1S/C4H7IO/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=HSZRWRXEOOXUFI-UHFFFAOYSA-N194.7Ex 194.71(BP est) -18.09(MP est) ----(BP exp) ----(MP exp) OC(CI)(C=C) -18.1PredN
C(I)C(=O)C(C)10375198.003C4H7IO1-iodobutan-2-oneN136C(I)C(=O)C(C)InChI=1S/C4H7IO/c1-2-4(6)3-5/h2-3H2,1H3InChIKey=BTFMVTPBEFRLCN-UHFFFAOYSA-N178.5Ex 178.49(BP est) -19.89(MP est) ----(BP exp) ----(MP exp) C(I)C(=O)C(C) -19.9PredN
OC(I)(C1)(CC1)10376198.003C4H7IO1-iodocyclobutan-1-olN136OC(I)(C1)(CC1)InChI=1S/C4H7IO/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=NYCIJJNKRUDSAA-UHFFFAOYSA-N193.6Ex 193.59(BP est) 9.13(MP est) ----(BP exp) ----(MP exp) OC(I)(C1)(CC1) 9.1PredN
IC(C)C1CO110377198.003C4H7IO2-(1-iodoethyl)oxiraneN136IC(C)C1CO1InChI=1S/C4H7IO/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=DJGANOYLPWOJOS-UHFFFAOYSA-N154.6Ex 154.64(BP est) -37.06(MP est) ----(BP exp) ----(MP exp) IC(C)C1CO1 -37.1PredN
ICCC1CO110378198.003C4H7IO2-(2-iodoethyl)oxiraneN136ICCC1CO1InChI=1S/C4H7IO/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=VZENFAZQDGFRAU-UHFFFAOYSA-N167.7Ex 167.66(BP est) -25.76(MP est) ----(BP exp) ----(MP exp) ICCC1CO1 -25.8PredN
ICOC(C)=C10379198.003C4H7IO2-(iodomethoxy)prop-1-eneN136ICOC(C)=CInChI=1S/C4H7IO/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=HLLGVQGHCFTCSY-UHFFFAOYSA-N151.4Ex 151.44(BP est) -49.49(MP est) ----(BP exp) ----(MP exp) ICOC(C)=C -49.5PredN
CC1(CI)CO110380198.003C4H7IO2-(iodomethyl)-2-methyloxiraneN136CC1(CI)CO1InChI=1S/C4H7IO/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=HPPYPPSKJORRCS-UHFFFAOYSA-N156.3Ex 156.28(BP est) -17.13(MP est) ----(BP exp) ----(MP exp) CC1(CI)CO1 -17.1PredN
CC1C(CI)O110381198.003C4H7IO2-(iodomethyl)-3-methyloxiraneN136CC1C(CI)O1InChI=1S/C4H7IO/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=TVVDWECGJLJYDS-UHFFFAOYSA-N161.4Ex 161.44(BP est) -29.69(MP est) ----(BP exp) ----(MP exp) CC1C(CI)O1 -29.7PredN
ICC1OCC110382198.003C4H7IO2-(iodomethyl)oxetaneN136ICC1OCC1InChI=1S/C4H7IO/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=JVPHNTROOBLPKR-UHFFFAOYSA-N169.6Ex 169.62(BP est) -26.95(MP est) ----(BP exp) ----(MP exp) ICC1OCC1 -27PredN
IC1(CC)CO110383198.003C4H7IO2-ethyl-2-iodooxiraneN136IC1(CC)CO1InChI=1S/C4H7IO/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=SKEHWFYVTUFOIY-UHFFFAOYSA-N156.3Ex 156.28(BP est) -17.13(MP est) ----(BP exp) ----(MP exp) IC1(CC)CO1 -17.1PredN
IC1C(CC)O110384198.003C4H7IO2-ethyl-3-iodooxiraneN136IC1C(CC)O1InChI=1S/C4H7IO/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=OKGWLGZDWMDDNG-UHFFFAOYSA-N161.4Ex 161.44(BP est) -29.69(MP est) ----(BP exp) ----(MP exp) IC1C(CC)O1 -29.7PredN
COC=C(C)I10385198.003C4H7IO2-iodo-1-methoxyprop-1-eneN136COC=C(C)IInChI=1S/C4H7IO/c1-4(5)3-6-2/h3H,1-2H3InChIKey=ICPDJNWRHJOYJA-UHFFFAOYSA-N159.8Ex 159.79(BP est) -48.71(MP est) ----(BP exp) ----(MP exp) COC=C(C)I -48.7PredN
OC(C)(C1)(C1I)10386198.003C4H7IO2-iodo-1-methylcyclopropan-1-olN136OC(C)(C1)(C1I)InChI=1S/C4H7IO/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=AAOOAIAOAIPNJO-UHFFFAOYSA-N185.8Ex 185.82(BP est) 6.50(MP est) ----(BP exp) ----(MP exp) OC(C)(C1)(C1I) 6.5PredN
CC1C(I)(C)O110387198.003C4H7IO2-iodo-2,3-dimethyloxiraneN136CC1C(I)(C)O1InChI=1S/C4H7IO/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=ZSRIPCMGXKSVSG-UHFFFAOYSA-N149.9Ex 149.93(BP est) -21.11(MP est) ----(BP exp) ----(MP exp) CC1C(I)(C)O1 -21.1PredN
IC1(C)OCC110388198.003C4H7IO2-iodo-2-methyloxetaneN136IC1(C)OCC1InChI=1S/C4H7IO/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=FWMBAKDJCOFZRI-UHFFFAOYSA-N158.3Ex 158.28(BP est) -18.31(MP est) ----(BP exp) ----(MP exp) IC1(C)OCC1 -18.3PredN
C(=O)C(I)(C)(C)10389198.003C4H7IO2-iodo-2-methylpropanalN136C(=O)C(I)(C)(C)InChI=1S/C4H7IO/c1-4(2,5)3-6/h3H,1-2H3InChIKey=PJKZOASOXLSAMR-UHFFFAOYSA-N169.7Ex 169.70(BP est) -25.21(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(C)(C) -25.2PredN
COCC(I)=C10390198.003C4H7IO2-iodo-3-methoxyprop-1-eneN136COCC(I)=CInChI=1S/C4H7IO/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=YMPYRSORYITEAF-UHFFFAOYSA-N151.4Ex 151.44(BP est) -49.49(MP est) ----(BP exp) ----(MP exp) COCC(I)=C -49.5PredN
IC1OCC1C10391198.003C4H7IO2-iodo-3-methyloxetaneN136IC1OCC1CInChI=1S/C4H7IO/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=JGLYYFJZMVOAIK-UHFFFAOYSA-N163.4Ex 163.42(BP est) -30.88(MP est) ----(BP exp) ----(MP exp) IC1OCC1C -30.9PredN
IC1CC(C)O110392198.003C4H7IO2-iodo-4-methyloxetaneN136IC1CC(C)O1InChI=1S/C4H7IO/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=IDRLZRXFKWBOGS-UHFFFAOYSA-N163.4Ex 163.42(BP est) -30.88(MP est) ----(BP exp) ----(MP exp) IC1CC(C)O1 -30.9PredN
OC(C(I)C=C)10393198.003C4H7IO2-iodobut-3-en-1-olN136OC(C(I)C=C)InChI=1S/C4H7IO/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=UENGLRKGTGZHOO-UHFFFAOYSA-N201.2Ex 201.17(BP est) -16.20(MP est) ----(BP exp) ----(MP exp) OC(C(I)C=C) -16.2PredN
OC(I)(C)(C=C)10394198.003C4H7IO2-iodobut-3-en-2-olN136OC(I)(C)(C=C)InChI=1S/C4H7IO/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=ZXCOUWZTVGBOJR-UHFFFAOYSA-N177.0Ex 176.97(BP est) -14.55(MP est) ----(BP exp) ----(MP exp) OC(I)(C)(C=C) -14.6PredN
C(=O)C(I)(CC)10395198.003C4H7IO2-iodobutanalN136C(=O)C(I)(CC)InChI=1S/C4H7IO/c1-2-4(5)3-6/h3-4H,2H2,1H3InChIKey=DGDXWUQRZOWSAW-UHFFFAOYSA-N178.1Ex 178.05(BP est) -31.48(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(CC) -31.5PredN
OC(C1)(C(I)C1)10396198.003C4H7IO2-iodocyclobutan-1-olN136OC(C1)(C(I)C1)InChI=1S/C4H7IO/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=OOWUAFMFPYFRGG-UHFFFAOYSA-N207.6Ex 207.60(BP est) -0.85(MP est) ----(BP exp) ----(MP exp) OC(C1)(C(I)C1) -0.9PredN
C(C1)OC(I)(C1)10397198.003C4H7IO2-iodotetrahydrofuranN136C(C1)OC(I)(C1)InChI=1S/C4H7IO/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=YMUIASFOHGFJOS-UHFFFAOYSA-N171.6Ex 171.56(BP est) -28.14(MP est) ----(BP exp) ----(MP exp) C(C1)OC(I)(C1) -28.1PredN
ICOCC=C10398198.003C4H7IO3-(iodomethoxy)prop-1-eneN136ICOCC=CInChI=1S/C4H7IO/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=TXQCSXZSHCTNOB-UHFFFAOYSA-N157.4Ex 157.41(BP est) -40.77(MP est) ----(BP exp) ----(MP exp) ICOCC=C -40.8PredN
ICC1COC110399198.003C4H7IO3-(iodomethyl)oxetaneN136ICC1COC1InChI=1S/C4H7IO/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=IVGHNOLTTATVRF-UHFFFAOYSA-N169.6Ex 169.62(BP est) -26.95(MP est) ----(BP exp) ----(MP exp) ICC1COC1 -27PredN
COC=C(CI)10400198.003C4H7IO3-iodo-1-methoxyprop-1-eneN136COC=C(CI)InChI=1S/C4H7IO/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=GXPMGVKXBKWDHP-UHFFFAOYSA-N165.7Ex 165.67(BP est) -40.02(MP est) ----(BP exp) ----(MP exp) COC=C(CI) -40PredN
IC1C(C)(C)O110401198.003C4H7IO3-iodo-2,2-dimethyloxiraneN136IC1C(C)(C)O1InChI=1S/C4H7IO/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=LARWDHOJOBFIRP-UHFFFAOYSA-N149.9Ex 149.93(BP est) -21.11(MP est) ----(BP exp) ----(MP exp) IC1C(C)(C)O1 -21.1PredN
COC(CI)=C10402198.003C4H7IO3-iodo-2-methoxyprop-1-eneN136COC(CI)=CInChI=1S/C4H7IO/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=XVROCGAGXZDNPH-UHFFFAOYSA-N151.4Ex 151.44(BP est) -49.49(MP est) ----(BP exp) ----(MP exp) COC(CI)=C -49.5PredN
CC1OCC1I10403198.003C4H7IO3-iodo-2-methyloxetaneN136CC1OCC1IInChI=1S/C4H7IO/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=BISBBIPSCBEZHX-UHFFFAOYSA-N163.4Ex 163.42(BP est) -30.88(MP est) ----(BP exp) ----(MP exp) CC1OCC1I -30.9PredN
C(=O)C(C)(CI)10404198.003C4H7IO3-iodo-2-methylpropanalN136C(=O)C(C)(CI)InChI=1S/C4H7IO/c1-4(2-5)3-6/h3-4H,2H2,1H3InChIKey=XLCCAHVRMJMGPX-UHFFFAOYSA-N178.1Ex 178.05(BP est) -31.48(MP est) ----(BP exp) ----(MP exp) C(=O)C(C)(CI) -31.5PredN
COC(C=C)I10405198.003C4H7IO3-iodo-3-methoxyprop-1-eneN136COC(C=C)IInChI=1S/C4H7IO/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=FZLSBAYPAFVCDN-UHFFFAOYSA-N144.1Ex 144.13(BP est) -52.15(MP est) ----(BP exp) ----(MP exp) COC(C=C)I -52.2PredN
IC1(C)COC110406198.003C4H7IO3-iodo-3-methyloxetaneN136IC1(C)COC1InChI=1S/C4H7IO/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=OFFQCDCTNOEFMS-UHFFFAOYSA-N158.3Ex 158.28(BP est) -18.31(MP est) ----(BP exp) ----(MP exp) IC1(C)COC1 -18.3PredN
OC(CC(I)=C)10407198.003C4H7IO3-iodobut-3-en-1-olN136OC(CC(I)=C)InChI=1S/C4H7IO/c1-4(5)2-3-6/h6H,1-3H2InChIKey=LYMVBFOTTKHHLE-UHFFFAOYSA-N207.7Ex 207.68(BP est) -13.78(MP est) ----(BP exp) ----(MP exp) OC(CC(I)=C) -13.8PredN
OC(C)(C(I)=C)10408198.003C4H7IO3-iodobut-3-en-2-olN136OC(C)(C(I)=C)InChI=1S/C4H7IO/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=CFIOYGZAONFUFZ-UHFFFAOYSA-N189.2Ex 189.17(BP est) -26.68(MP est) ----(BP exp) ----(MP exp) OC(C)(C(I)=C) -26.7PredN
CC(=O)C(I)(C)10409198.003C4H7IO3-iodobutan-2-oneN136CC(=O)C(I)(C)InChI=1S/C4H7IO/c1-3(5)4(2)6/h3H,1-2H3InChIKey=FPEIUGALYUCCPS-UHFFFAOYSA-N165.8Ex 165.75(BP est) -31.11(MP est) ----(BP exp) ----(MP exp) CC(=O)C(I)(C) -31.1PredN
C(=O)C(C(I)C)10410198.003C4H7IO3-iodobutanalN136C(=O)C(C(I)C)InChI=1S/C4H7IO/c1-4(5)2-3-6/h3-4H,2H2,1H3InChIKey=FRMHNDCVLQCPIQ-UHFFFAOYSA-N178.1Ex 178.05(BP est) -31.48(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(I)C) -31.5PredN
OC(C1)(CC1I)10411198.003C4H7IO3-iodocyclobutan-1-olN136OC(C1)(CC1I)InChI=1S/C4H7IO/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=XCMQVYNPJOTWIE-UHFFFAOYSA-N207.6Ex 207.60(BP est) -0.85(MP est) ----(BP exp) ----(MP exp) OC(C1)(CC1I) -0.9PredN
C(C1)OC(C1I)10412198.003C4H7IO3-iodotetrahydrofuranN136C(C1)OC(C1I)InChI=1S/C4H7IO/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=BKIQORJIKOPRCG-UHFFFAOYSA-N171.6Ex 171.56(BP est) -28.14(MP est) ----(BP exp) ----(MP exp) C(C1)OC(C1I) -28.1PredN
OC(CC=CI)10413198.003C4H7IO4-iodobut-3-en-1-olN136OC(CC=CI)InChI=1S/C4H7IO/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=NUCSHAXRRBHADF-UHFFFAOYSA-N220.3Ex 220.31(BP est) -4.77(MP est) ----(BP exp) ----(MP exp) OC(CC=CI) -4.8PredN
OC(C)(C=CI)10414198.003C4H7IO4-iodobut-3-en-2-olN136OC(C)(C=CI)InChI=1S/C4H7IO/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=SQKUATTXTJVQKE-UHFFFAOYSA-N202.4Ex 202.35(BP est) -17.51(MP est) ----(BP exp) ----(MP exp) OC(C)(C=CI) -17.5PredN
CC(=O)C(CI)10415198.003C4H7IO4-iodobutan-2-oneN136CC(=O)C(CI)InChI=1S/C4H7IO/c1-4(6)2-3-5/h2-3H2,1H3InChIKey=XRELGXKQIBXIFE-UHFFFAOYSA-N178.5Ex 178.49(BP est) -19.89(MP est) ----(BP exp) ----(MP exp) CC(=O)C(CI) -19.9PredN
C(=O)C(CCI)10416198.003C4H7IO4-iodobutanalN136C(=O)C(CCI)InChI=1S/C4H7IO/c5-3-1-2-4-6/h4H,1-3H2InChIKey=ZQTKCMWSSKTZHN-UHFFFAOYSA-N190.5Ex 190.48(BP est) -20.35(MP est) ----(BP exp) ----(MP exp) C(=O)C(CCI) -20.4PredN
OC(I)C(C1)(C1)10417198.003C4H7IOcyclopropyliodomethanolN136OC(I)C(C1)(C1)InChI=1S/C4H7IO/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=VSUVPCOTNMJFMB-UHFFFAOYSA-N199.6Ex 199.61(BP est) -6.80(MP est) ----(BP exp) ----(MP exp) OC(I)C(C1)(C1) -6.8PredN
NNC(I)(C=C)10418198.007C3H7IN2(1-iodoallyl)hydrazineN136NNC(I)(C=C)InChI=1S/C3H7IN2/c1-2-3(4)6-5/h2-3,6H,1,5H2InChIKey=DCOIIWZGNDPFLY-UHFFFAOYSA-N196.7Ex 196.71(BP est) 14.41(MP est) ----(BP exp) ----(MP exp) NNC(I)(C=C) 14.4PredN
NNC(I)(C1)(C1)10419198.007C3H7IN2(1-iodocyclopropyl)hydrazineN136NNC(I)(C1)(C1)InChI=1S/C3H7IN2/c4-3(6-5)1-2-3/h6H,1-2,5H2InChIKey=VJLCEQUUYAELDE-UHFFFAOYSA-N203.1Ex 203.08(BP est) 25.24(MP est) ----(BP exp) ----(MP exp) NNC(I)(C1)(C1) 25.2PredN
NNC(C(I)=C)10420198.007C3H7IN2(2-iodoallyl)hydrazineN136NNC(C(I)=C)InChI=1S/C3H7IN2/c1-3(4)2-6-5/h6H,1-2,5H2InChIKey=SBXFOTCVWHBCEV-UHFFFAOYSA-N203.3Ex 203.28(BP est) 16.85(MP est) ----(BP exp) ----(MP exp) NNC(C(I)=C) 16.9PredN
NNC(C1)(C1I)10421198.007C3H7IN2(2-iodocyclopropyl)hydrazineN136NNC(C1)(C1I)InChI=1S/C3H7IN2/c4-2-1-3(2)6-5/h2-3,6H,1,5H2InChIKey=ZVBOQFNXUCZVMG-UHFFFAOYSA-N207.8Ex 207.76(BP est) 24.46(MP est) ----(BP exp) ----(MP exp) NNC(C1)(C1I) 24.5PredN
NNC(C=CI)10422198.007C3H7IN2(3-iodoallyl)hydrazineN136NNC(C=CI)InChI=1S/C3H7IN2/c4-2-1-3-6-5/h1-2,6H,3,5H2InChIKey=YZEVZRDQJQBUJS-UHFFFAOYSA-N216.0Ex 216.04(BP est) 25.90(MP est) ----(BP exp) ----(MP exp) NNC(C=CI) 25.9PredN
SC(I)(C#C)10423198.021C3H3IS1-iodoprop-2-yne-1-thiolN85SC(I)(C#C)InChI=1S/C3H3IS/c1-2-3(4)5/h1,3,5HInChIKey=OARRJCISOCLTDN-UHFFFAOYSA-N183.9Ex 183.91(BP est) -14.69(MP est) ----(BP exp) ----(MP exp) SC(I)(C#C) -14.7PredN
ICC1=CS110424198.021C3H3IS2-(iodomethyl)thiireneN85ICC1=CS1InChI=1S/C3H3IS/c4-1-3-2-5-3/h2H,1H2InChIKey=SEBPCKJUCTXHBH-UHFFFAOYSA-N184.9Ex 184.90(BP est) 7.84(MP est) ----(BP exp) ----(MP exp) ICC1=CS1 7.8PredN
IC(S1)=C1C10425198.021C3H3IS2-iodo-3-methylthiireneN85IC(S1)=C1CInChI=1S/C3H3IS/c1-2-3(4)5-2/h1H3InChIKey=HNBLJHPWDHFCDG-UHFFFAOYSA-N183.1Ex 183.13(BP est) 13.58(MP est) ----(BP exp) ----(MP exp) IC(S1)=C1C 13.6PredN
SC(C#CI)10426198.021C3H3IS3-iodoprop-2-yne-1-thiolN85SC(C#CI)InChI=1S/C3H3IS/c4-2-1-3-5/h5H,3H2InChIKey=MFQNAMFQCREIRV-UHFFFAOYSA-N203.6Ex 203.61(BP est) 28.13(MP est) ----(BP exp) ----(MP exp) SC(C#CI) 28.1PredN
CC(C)(CI)C10427198.047C5H11I1-iodo-2,2-dimethylpropaneN176CC(C)(CI)CInChI=1S/C5H11I/c1-5(2,3)4-6/h4H2,1-3H3InChIKey=CJTZXIJETZZARD-UHFFFAOYSA-N134.0Ex 136.03(BP est) -50.40(MP est) ----(BP exp) ----(MP exp) CC(C)(CI)C -50.4PredN
CC(CC)CI10428198.047C5H11I1-iodo-2-methylbutaneN176CC(CC)CIInChI=1S/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3InChIKey=RHBHXHXNWHTGSO-UHFFFAOYSA-N147.0Ex 144.93(BP est) -56.51(MP est) ----(BP exp) ----(MP exp) CC(CC)CI -56.5PredN
CC(CCI)C10429198.047C5H11I1-iodo-3-methylbutaneN176CC(CCI)CInChI=1S/C5H11I/c1-5(2)3-4-6/h5H,3-4H2,1-2H3InChIKey=BUZZUHJODKQYTF-UHFFFAOYSA-N147.6Ex 144.93(BP est) -56.51(MP est) 147.00(BP exp) ----(MP exp) CC(CCI)C -56.5PredN
CCCCCI10430198.047C5H11I1-iodopentaneN176CCCCCIInChI=1S/C5H11I/c1-2-3-4-5-6/h2-5H2,1H3InChIKey=BLXSFCHWMBESKV-UHFFFAOYSA-N147.8Ex 158.19(BP est) -45.14(MP est) 155.00(BP exp) -85.60(MP exp) CCCCCI -85.6ExptY(Gribble 2003)
IC(C)(CC)C10431198.047C5H11I2-iodo-2-methylbutaneN176IC(C)(CC)CInChI=1S/C5H11I/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=NWRZTQFWFPLHHX-UHFFFAOYSA-N129.0Ex 136.03(BP est) -50.40(MP est) 124.50(BP exp) ----(MP exp) IC(C)(CC)C -50.4PredN
CC(C(C)I)C10432198.047C5H11I2-iodo-3-methylbutaneN176CC(C(C)I)CInChI=1S/C5H11I/c1-4(2)5(3)6/h4-5H,1-3H3InChIKey=PYXUFKGRYMMOIK-UHFFFAOYSA-N140.0Ex 131.34(BP est) -67.98(MP est) ----(BP exp) ----(MP exp) CC(C(C)I)C -68PredN
CCCC(C)I10433198.047C5H11I2-iodopentaneN176CCCC(C)IInChI=1S/C5H11I/c1-3-4-5(2)6/h5H,3-4H2,1-2H3InChIKey=JUPBFIYJUCWJCT-UHFFFAOYSA-N143.0Ex 144.93(BP est) -56.51(MP est) 150.00(BP exp) -50.00(MP exp) CCCC(C)I -50ExptN
CCC(CC)I10434198.047C5H11I3-iodopentaneN176CCC(CC)IInChI=1S/C5H11I/c1-3-5(6)4-2/h5H,3-4H2,1-2H3InChIKey=VRQDQJYBWZERBW-UHFFFAOYSA-N145.0Ex 144.93(BP est) -56.51(MP est) ----(BP exp) ----(MP exp) CCC(CC)I -56.5PredN
BrC(Cl)(Cl)Cl10435198.265CBrCl3bromotrichloromethaneN55BrC(Cl)(Cl)ClInChI=1S/CBrCl3/c2-1(3,4)5InChIKey=XNNQFQFUQLJSQT-UHFFFAOYSA-N104.8Ex 120.06(BP est) -31.86(MP est) 105.00(BP exp) -5.70(MP exp) BrC(Cl)(Cl)Cl -5.7ExptY(Gribble 2009)
BrC(N1)=C1Br10437198.845C2HBr2N2,3-dibromo-1H-azirineN65BrC(N1)=C1BrInChI=1S/C2HBr2N/c3-1-2(4)5-1/h5HInChIKey=CWHYOJUIZPBTJQ-UHFFFAOYSA-N196.1Ex 196.09(BP est) 28.57(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1Br 28.6PredN
NC(F)(I)(C#C)10438198.967C3H3FIN1-fluoro-1-iodoprop-2-yn-1-amineN96NC(F)(I)(C#C)InChI=1S/C3H3FIN/c1-2-3(4,5)6/h1H,6H2InChIKey=GCUSDQRAPQJQRS-UHFFFAOYSA-N160.4Ex 160.38(BP est) 10.85(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(C#C) 10.9PredN
NC(F)(C#CI)10439198.967C3H3FIN1-fluoro-3-iodoprop-2-yn-1-amineN96NC(F)(C#CI)InChI=1S/C3H3FIN/c4-3(6)1-2-5/h3H,6H2InChIKey=ADMQGSCUYWXFGR-UHFFFAOYSA-N176.8Ex 176.77(BP est) 13.02(MP est) ----(BP exp) ----(MP exp) NC(F)(C#CI) 13PredN
FC(I)C1=CN110440198.967C3H3FIN2-(fluoroiodomethyl)-1H-azirineN96FC(I)C1=CN1InChI=1S/C3H3FIN/c4-3(5)2-1-6-2/h1,3,6HInChIKey=AWYOUGGGQPFBDQ-UHFFFAOYSA-N171.3Ex 171.34(BP est) 10.47(MP est) ----(BP exp) ----(MP exp) FC(I)C1=CN1 10.5PredN
IC(N1)=C1CF10441198.967C3H3FIN2-(fluoromethyl)-3-iodo-1H-azirineN96IC(N1)=C1CFInChI=1S/C3H3FIN/c4-1-2-3(5)6-2/h6H,1H2InChIKey=PLLYPKCFZXSMEV-UHFFFAOYSA-N182.2Ex 182.16(BP est) 27.39(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1CF 27.4PredN
FC(N1)=C1CI10442198.967C3H3FIN2-fluoro-3-(iodomethyl)-1H-azirineN96FC(N1)=C1CIInChI=1S/C3H3FIN/c4-3-2(1-5)6-3/h6H,1H2InChIKey=BNGWDRLOXKUBTM-UHFFFAOYSA-N182.2Ex 182.16(BP est) 27.39(MP est) ----(BP exp) ----(MP exp) FC(N1)=C1CI 27.4PredN
NC(I)(C#CF)10443198.967C3H3FIN3-fluoro-1-iodoprop-2-yn-1-amineN96NC(I)(C#CF)InChI=1S/C3H3FIN/c4-2-1-3(5)6/h3H,6H2InChIKey=IFTLMMUYYLYRGX-UHFFFAOYSA-N176.8Ex 176.77(BP est) 13.02(MP est) ----(BP exp) ----(MP exp) NC(I)(C#CF) 13PredN
ICON1CC110457198.991C3H6INO1-(iodomethoxy)aziridineN126ICON1CC1InChI=1S/C3H6INO/c4-3-6-5-1-2-5/h1-3H2InChIKey=GRIALDDTAVYZGC-UHFFFAOYSA-N172.5Ex 172.49(BP est) 6.04(MP est) ----(BP exp) ----(MP exp) ICON1CC1 6PredN
ICN1CCO110458198.991C3H6INO2-(iodomethyl)-1,2-oxazetidineN126ICN1CCO1InChI=1S/C3H6INO/c4-3-5-1-2-6-5/h1-3H2InChIKey=IZRTVZNSHHLQKF-UHFFFAOYSA-N179.3Ex 179.27(BP est) 8.43(MP est) ----(BP exp) ----(MP exp) ICN1CCO1 8.4PredN
IC1N(OC)C110459198.991C3H6INO2-iodo-1-methoxyaziridineN126IC1N(OC)C1InChI=1S/C3H6INO/c1-6-5-2-3(5)4/h3H,2H2,1H3InChIKey=KKWHSKDEZUWXOE-UHFFFAOYSA-N166.3Ex 166.33(BP est) 2.13(MP est) ----(BP exp) ----(MP exp) IC1N(OC)C1 2.1PredN
IC1N(O)CC110460198.991C3H6INO2-iodoazetidin-1-olN126IC1N(O)CC1InChI=1S/C3H6INO/c4-3-1-2-5(3)6/h3,6H,1-2H2InChIKey=QBTGPCHLSAVZSG-UHFFFAOYSA-N286.4Ex 286.39(BP est) 59.71(MP est) ----(BP exp) ----(MP exp) IC1N(O)CC1 59.7PredN
ICC(NC)=O10461198.991C3H6INO2-iodo-N-methylacetamideN126ICC(NC)=OInChI=1S/C3H6INO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6)InChIKey=AQXWCZGHGXWGAL-UHFFFAOYSA-N277.0Ex 277.03(BP est) 72.80(MP est) ----(BP exp) ----(MP exp) ICC(NC)=O 72.8PredN
IC(C(N)=O)C10462198.991C3H6INO2-iodopropanamideN126IC(C(N)=O)CInChI=1S/C3H6INO/c1-2(4)3(5)6/h2H,1H3,(H2,5,6)InChIKey=QKSBEDINHRIOJR-UHFFFAOYSA-N272.3Ex 272.31(BP est) 66.15(MP est) ----(BP exp) ----(MP exp) IC(C(N)=O)C 66.2PredN
CN1C(I)CO110463198.991C3H6INO3-iodo-2-methyl-1,2-oxazetidineN126CN1C(I)CO1InChI=1S/C3H6INO/c1-5-3(4)2-6-5/h3H,2H2,1H3InChIKey=JEYYZDFFBMDSBS-UHFFFAOYSA-N173.2Ex 173.19(BP est) 4.54(MP est) ----(BP exp) ----(MP exp) CN1C(I)CO1 4.5PredN
IC1CN(O)C110464198.991C3H6INO3-iodoazetidin-1-olN126IC1CN(O)C1InChI=1S/C3H6INO/c4-3-1-5(6)2-3/h3,6H,1-2H2InChIKey=CRFFZZDTFQVLAT-UHFFFAOYSA-N286.4Ex 286.39(BP est) 59.71(MP est) ----(BP exp) ----(MP exp) IC1CN(O)C1 59.7PredN
IC1NOCC110465198.991C3H6INO3-iodoisoxazolidineN126IC1NOCC1InChI=1S/C3H6INO/c4-3-1-2-6-5-3/h3,5H,1-2H2InChIKey=UTJUQGJJTVPKLV-UHFFFAOYSA-N204.5Ex 204.51(BP est) 28.36(MP est) ----(BP exp) ----(MP exp) IC1NOCC1 28.4PredN
ICCC(N)=O10466198.991C3H6INO3-iodopropanamideN126ICCC(N)=OInChI=1S/C3H6INO/c4-2-1-3(5)6/h1-2H2,(H2,5,6)InChIKey=WUDXYFDMZPYSAS-UHFFFAOYSA-N282.0Ex 281.97(BP est) 74.13(MP est) ----(BP exp) ----(MP exp) ICCC(N)=O 74.1PredN
CN1CC(I)O110467198.991C3H6INO4-iodo-2-methyl-1,2-oxazetidineN126CN1CC(I)O1InChI=1S/C3H6INO/c1-5-2-3(4)6-5/h3H,2H2,1H3InChIKey=FWFCIKCRFNBYJY-UHFFFAOYSA-N173.2Ex 173.19(BP est) 4.54(MP est) ----(BP exp) ----(MP exp) CN1CC(I)O1 4.5PredN
IC1CNOC110468198.991C3H6INO4-iodoisoxazolidineN126IC1CNOC1InChI=1S/C3H6INO/c4-3-1-5-6-2-3/h3,5H,1-2H2InChIKey=IGXOZVSYYNEDRB-UHFFFAOYSA-N204.5Ex 204.51(BP est) 28.36(MP est) ----(BP exp) ----(MP exp) IC1CNOC1 28.4PredN
IC1ONCC110469198.991C3H6INO5-iodoisoxazolidineN126IC1ONCC1InChI=1S/C3H6INO/c4-3-1-2-5-6-3/h3,5H,1-2H2InChIKey=BFQGRUVHWDMVMI-UHFFFAOYSA-N204.5Ex 204.51(BP est) 28.36(MP est) ----(BP exp) ----(MP exp) IC1ONCC1 28.4PredN
IC(C=C)NO10470198.991C3H6INON-(1-iodoallyl)hydroxylamineN126IC(C=C)NOInChI=1S/C3H6INO/c1-2-3(4)5-6/h2-3,5-6H,1H2InChIKey=VDDKFBQGHPDJCK-UHFFFAOYSA-N231.9Ex 231.88(BP est) 13.46(MP est) ----(BP exp) ----(MP exp) IC(C=C)NO 13.5PredN
CN(O)C(I)=C10471198.991C3H6INON-(1-iodovinyl)-N-methylhydroxylamineN126CN(O)C(I)=CInChI=1S/C3H6INO/c1-3(4)5(2)6/h6H,1H2,2H3InChIKey=CTQXCVRBDPPQIX-UHFFFAOYSA-N278.3Ex 278.25(BP est) 40.50(MP est) ----(BP exp) ----(MP exp) CN(O)C(I)=C 40.5PredN
IC(NOC)=C10472198.991C3H6INON-(1-iodovinyl)-O-methylhydroxylamineN126IC(NOC)=CInChI=1S/C3H6INO/c1-3(4)5-6-2/h5H,1H2,2H3InChIKey=FSPOMWYTECBTGP-UHFFFAOYSA-N170.2Ex 170.23(BP est) -23.31(MP est) ----(BP exp) ----(MP exp) IC(NOC)=C -23.3PredN
IC(CNO)=C10473198.991C3H6INON-(2-iodoallyl)hydroxylamineN126IC(CNO)=CInChI=1S/C3H6INO/c1-3(4)2-5-6/h5-6H,1-2H2InChIKey=IDJDVMCGLBTUGQ-UHFFFAOYSA-N237.9Ex 237.90(BP est) 15.74(MP est) ----(BP exp) ----(MP exp) IC(CNO)=C 15.7PredN
IC=CN(O)C10474198.991C3H6INON-(2-iodovinyl)-N-methylhydroxylamineN126IC=CN(O)CInChI=1S/C3H6INO/c1-5(6)3-2-4/h2-3,6H,1H3InChIKey=FMBXHYVDLHTJSL-UHFFFAOYSA-N288.5Ex 288.52(BP est) 48.82(MP est) ----(BP exp) ----(MP exp) IC=CN(O)C 48.8PredN
IC=CNOC10475198.991C3H6INON-(2-iodovinyl)-O-methylhydroxylamineN126IC=CNOCInChI=1S/C3H6INO/c1-6-5-3-2-4/h2-3,5H,1H3InChIKey=ZQOFVPJEOKSQOU-UHFFFAOYSA-N184.0Ex 183.95(BP est) -13.99(MP est) ----(BP exp) ----(MP exp) IC=CNOC -14PredN
CC(NCI)=O10476198.991C3H6INON-(iodomethyl)acetamideN126CC(NCI)=OInChI=1S/C3H6INO/c1-3(6)5-2-4/h2H2,1H3,(H,5,6)InChIKey=JQCCCQGZELWLEV-UHFFFAOYSA-N277.0Ex 277.03(BP est) 72.80(MP est) ----(BP exp) ----(MP exp) CC(NCI)=O 72.8PredN
ICN(O)C=C10477198.991C3H6INON-(iodomethyl)-N-vinylhydroxylamineN126ICN(O)C=CInChI=1S/C3H6INO/c1-2-5(6)3-4/h2,6H,1,3H2InChIKey=CATHUVNMABOTBT-UHFFFAOYSA-N282.6Ex 282.57(BP est) 48.75(MP est) ----(BP exp) ----(MP exp) ICN(O)C=C 48.8PredN
ICNOC=C10478198.991C3H6INON-(iodomethyl)-O-vinylhydroxylamineN126ICNOC=CInChI=1S/C3H6INO/c1-2-6-5-3-4/h2,5H,1,3H2InChIKey=PCFHLLMXEAEXLW-UHFFFAOYSA-N176.0Ex 175.99(BP est) -14.65(MP est) ----(BP exp) ----(MP exp) ICNOC=C -14.7PredN
NOC(C=C)I10479198.991C3H6INOO-(1-iodoallyl)hydroxylamineN126NOC(C=C)IInChI=1S/C3H6INO/c1-2-3(4)6-5/h2-3H,1,5H2InChIKey=DSAFXIOKUARQEM-UHFFFAOYSA-N179.7Ex 179.73(BP est) -5.76(MP est) ----(BP exp) ----(MP exp) NOC(C=C)I -5.8PredN
CNOC(I)=C10480198.991C3H6INOO-(1-iodovinyl)-N-methylhydroxylamineN126CNOC(I)=CInChI=1S/C3H6INO/c1-3(4)6-5-2/h5H,1H2,2H3InChIKey=HWBCDWCVCGVDOT-UHFFFAOYSA-N170.2Ex 170.23(BP est) -23.31(MP est) ----(BP exp) ----(MP exp) CNOC(I)=C -23.3PredN
NOCC(I)=C10481198.991C3H6INOO-(2-iodoallyl)hydroxylamineN126NOCC(I)=CInChI=1S/C3H6INO/c1-3(4)2-6-5/h1-2,5H2InChIKey=QZWVRXWDLCZNOY-UHFFFAOYSA-N186.6Ex 186.55(BP est) -3.25(MP est) ----(BP exp) ----(MP exp) NOCC(I)=C -3.3PredN
CNOC=CI10482198.991C3H6INOO-(2-iodovinyl)-N-methylhydroxylamineN126CNOC=CIInChI=1S/C3H6INO/c1-5-6-3-2-4/h2-3,5H,1H3InChIKey=QBOBVPHCQYFMTB-UHFFFAOYSA-N184.0Ex 183.95(BP est) -13.99(MP est) ----(BP exp) ----(MP exp) CNOC=CI -14PredN
NOCC=CI10483198.991C3H6INOO-(3-iodoallyl)hydroxylamineN126NOCC=CIInChI=1S/C3H6INO/c4-2-1-3-6-5/h1-2H,3,5H2InChIKey=FRJIWTFJSVQCDX-UHFFFAOYSA-N199.8Ex 199.80(BP est) 5.94(MP est) ----(BP exp) ----(MP exp) NOCC=CI 5.9PredN
C=CNOCI10484198.991C3H6INOO-(iodomethyl)-N-vinylhydroxylamineN126C=CNOCIInChI=1S/C3H6INO/c1-2-5-6-3-4/h2,5H,1,3H2InChIKey=NRLZGKUXJHSGCP-UHFFFAOYSA-N176.0Ex 175.99(BP est) -14.65(MP est) ----(BP exp) ----(MP exp) C=CNOCI -14.7PredN
NC(I)C(C)(C)10485199.035C4H10IN1-iodo-2-methylpropan-1-amineN166NC(I)C(C)(C)InChI=1S/C4H10IN/c1-3(2)4(5)6/h3-4H,6H2,1-2H3InChIKey=BEQZNWDWLJIIAZ-UHFFFAOYSA-N167.8Ex 167.79(BP est) -21.35(MP est) ----(BP exp) ----(MP exp) NC(I)C(C)(C) -21.4PredN
NC(C)(C)(CI)10486199.035C4H10IN1-iodo-2-methylpropan-2-amineN166NC(C)(C)(CI)InChI=1S/C4H10IN/c1-4(2,6)3-5/h3,6H2,1-2H3InChIKey=BOJZYDXEXVLEEW-UHFFFAOYSA-N172.2Ex 172.17(BP est) -3.86(MP est) ----(BP exp) ----(MP exp) NC(C)(C)(CI) -3.9PredN
NC(I)(CCC)10487199.035C4H10IN1-iodobutan-1-amineN166NC(I)(CCC)InChI=1S/C4H10IN/c1-2-3-4(5)6/h4H,2-3,6H2,1H3InChIKey=AOCPZAAGCIWQLB-UHFFFAOYSA-N180.5Ex 180.48(BP est) -10.14(MP est) ----(BP exp) ----(MP exp) NC(I)(CCC) -10.1PredN
NC(CI)(CC)10488199.035C4H10IN1-iodobutan-2-amineN166NC(CI)(CC)InChI=1S/C4H10IN/c1-2-4(6)3-5/h4H,2-3,6H2,1H3InChIKey=FHZXRYLYMRACTR-UHFFFAOYSA-N180.5Ex 180.48(BP est) -10.14(MP est) ----(BP exp) ----(MP exp) NC(CI)(CC) -10.1PredN
CN(C(C)I)C10489199.035C4H10IN1-iodo-N,N-dimethylethan-1-amineN166CN(C(C)I)CInChI=1S/C4H10IN/c1-4(5)6(2)3/h4H,1-3H3InChIKey=VUVJIRYNBPFSQD-UHFFFAOYSA-N144.3Ex 144.30(BP est) -46.10(MP est) ----(BP exp) ----(MP exp) CN(C(C)I)C -46.1PredN
CNC(I)(CC)10490199.035C4H10IN1-iodo-N-methylpropan-1-amineN166CNC(I)(CC)InChI=1S/C4H10IN/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=XSRZEPLJAHCIIR-UHFFFAOYSA-N164.0Ex 163.95(BP est) -30.27(MP est) ----(BP exp) ----(MP exp) CNC(I)(CC) -30.3PredN
CNC(C)(CI)10491199.035C4H10IN1-iodo-N-methylpropan-2-amineN166CNC(C)(CI)InChI=1S/C4H10IN/c1-4(3-5)6-2/h4,6H,3H2,1-2H3InChIKey=KTRNSFZUTPNGAI-UHFFFAOYSA-N164.0Ex 163.95(BP est) -30.27(MP est) ----(BP exp) ----(MP exp) CNC(C)(CI) -30.3PredN
NCC(I)(C)(C)10492199.035C4H10IN2-iodo-2-methylpropan-1-amineN166NCC(I)(C)(C)InChI=1S/C4H10IN/c1-4(2,5)3-6/h3,6H2,1-2H3InChIKey=ICCDEPHVMZTJPS-UHFFFAOYSA-N172.2Ex 172.17(BP est) -3.86(MP est) ----(BP exp) ----(MP exp) NCC(I)(C)(C) -3.9PredN
NC(C(I)CC)10493199.035C4H10IN2-iodobutan-1-amineN166NC(C(I)CC)InChI=1S/C4H10IN/c1-2-4(5)3-6/h4H,2-3,6H2,1H3InChIKey=NUCMXPZWEPWEHK-UHFFFAOYSA-N180.5Ex 180.48(BP est) -10.14(MP est) ----(BP exp) ----(MP exp) NC(C(I)CC) -10.1PredN
NC(I)(C)(CC)10494199.035C4H10IN2-iodobutan-2-amineN166NC(I)(C)(CC)InChI=1S/C4H10IN/c1-3-4(2,5)6/h3,6H2,1-2H3InChIKey=COEUZLRMPLTXCH-UHFFFAOYSA-N172.2Ex 172.17(BP est) -3.86(MP est) ----(BP exp) ----(MP exp) NC(I)(C)(CC) -3.9PredN
CN(CCI)C10495199.035C4H10IN2-iodo-N,N-dimethylethan-1-amineN166CN(CCI)CInChI=1S/C4H10IN/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=CQJDAFVWXFTRJN-UHFFFAOYSA-N157.6Ex 157.58(BP est) -34.72(MP est) ----(BP exp) ----(MP exp) CN(CCI)C -34.7PredN
CNC(C(I)C)10496199.035C4H10IN2-iodo-N-methylpropan-1-amineN166CNC(C(I)C)InChI=1S/C4H10IN/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=BOZKXFHYBWBFQR-UHFFFAOYSA-N164.0Ex 163.95(BP est) -30.27(MP est) ----(BP exp) ----(MP exp) CNC(C(I)C) -30.3PredN
CNC(C)(C)I10497199.035C4H10IN2-iodo-N-methylpropan-2-amineN166CNC(C)(C)IInChI=1S/C4H10IN/c1-4(2,5)6-3/h6H,1-3H3InChIKey=UDUMGUCQZWJRPD-UHFFFAOYSA-N155.4Ex 155.37(BP est) -24.06(MP est) ----(BP exp) ----(MP exp) CNC(C)(C)I -24.1PredN
NCC(C)(CI)10498199.035C4H10IN3-iodo-2-methylpropan-1-amineN166NCC(C)(CI)InChI=1S/C4H10IN/c1-4(2-5)3-6/h4H,2-3,6H2,1H3InChIKey=ZEJLGOSHILQTCG-UHFFFAOYSA-N180.5Ex 180.48(BP est) -10.14(MP est) ----(BP exp) ----(MP exp) NCC(C)(CI) -10.1PredN
NC(CC(I)C)10499199.035C4H10IN3-iodobutan-1-amineN166NC(CC(I)C)InChI=1S/C4H10IN/c1-4(5)2-3-6/h4H,2-3,6H2,1H3InChIKey=RJKLIYDRZSKSTN-UHFFFAOYSA-N180.5Ex 180.48(BP est) -10.14(MP est) ----(BP exp) ----(MP exp) NC(CC(I)C) -10.1PredN
NC(C)(C(I)C)10500199.035C4H10IN3-iodobutan-2-amineN166NC(C)(C(I)C)InChI=1S/C4H10IN/c1-3(5)4(2)6/h3-4H,6H2,1-2H3InChIKey=ABTKMEPAXFDNHV-UHFFFAOYSA-N167.8Ex 167.79(BP est) -21.35(MP est) ----(BP exp) ----(MP exp) NC(C)(C(I)C) -21.4PredN
CNC(CCI)10501199.035C4H10IN3-iodo-N-methylpropan-1-amineN166CNC(CCI)InChI=1S/C4H10IN/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=NRLFVBILCIFIND-UHFFFAOYSA-N176.7Ex 176.74(BP est) -19.03(MP est) ----(BP exp) ----(MP exp) CNC(CCI) -19PredN
NC(CCCI)10502199.035C4H10IN4-iodobutan-1-amineN166NC(CCCI)InChI=1S/C4H10IN/c5-3-1-2-4-6/h1-4,6H2InChIKey=FBLUXUNATQRVPQ-UHFFFAOYSA-N192.8Ex 192.84(BP est) 0.97(MP est) ----(BP exp) ----(MP exp) NC(CCCI) 1PredN
NC(C)(CCI)10503199.035C4H10IN4-iodobutan-2-amineN166NC(C)(CCI)InChI=1S/C4H10IN/c1-4(6)2-3-5/h4H,2-3,6H2,1H3InChIKey=BFWFUYJDKAAFTI-UHFFFAOYSA-N180.5Ex 180.48(BP est) -10.14(MP est) ----(BP exp) ----(MP exp) NC(C)(CCI) -10.1PredN
CN(CC)CI10504199.035C4H10INN-(iodomethyl)-N-methylethanamineN166CN(CC)CIInChI=1S/C4H10IN/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=MFLPESWPGLXPPW-UHFFFAOYSA-N157.6Ex 157.58(BP est) -34.72(MP est) ----(BP exp) ----(MP exp) CN(CC)CI -34.7PredN
C(I)NC(CC)10505199.035C4H10INN-(iodomethyl)propan-1-amineN166C(I)NC(CC)InChI=1S/C4H10IN/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=QNXGQTKTPRRUCE-UHFFFAOYSA-N176.7Ex 176.74(BP est) -19.03(MP est) ----(BP exp) ----(MP exp) C(I)NC(CC) -19PredN
C(I)NC(C)(C)10506199.035C4H10INN-(iodomethyl)propan-2-amineN166C(I)NC(C)(C)InChI=1S/C4H10IN/c1-4(2)6-3-5/h4,6H,3H2,1-2H3InChIKey=OLGMWSRRFIHQFH-UHFFFAOYSA-N164.0Ex 163.95(BP est) -30.27(MP est) ----(BP exp) ----(MP exp) C(I)NC(C)(C) -30.3PredN
C(C)NC(I)(C)10507199.035C4H10INN-ethyl-1-iodoethan-1-amineN166C(C)NC(I)(C)InChI=1S/C4H10IN/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=FPDPUPRRZXDHLG-UHFFFAOYSA-N164.0Ex 163.95(BP est) -30.27(MP est) ----(BP exp) ----(MP exp) C(C)NC(I)(C) -30.3PredN
C(C)NC(CI)10508199.035C4H10INN-ethyl-2-iodoethan-1-amineN166C(C)NC(CI)InChI=1S/C4H10IN/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=ZNZPSTNHVWTTPB-UHFFFAOYSA-N176.7Ex 176.74(BP est) -19.03(MP est) ----(BP exp) ----(MP exp) C(C)NC(CI) -19PredN
BrC(O1)=C1Br10514199.829C2Br2O2,3-dibromooxireneN55BrC(O1)=C1BrInChI=1S/C2Br2O/c3-1-2(4)5-1InChIKey=TYXRLPMPUBWIPS-UHFFFAOYSA-N168.3Ex 168.31(BP est) 8.95(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1Br 9PredN
BrC1(Br)CC110515199.873C3H4Br21,1-dibromocyclopropaneN95BrC1(Br)CC1InChI=1S/C3H4Br2/c4-3(5)1-2-3/h1-2H2InChIKey=RGDPYGJFXILIQP-UHFFFAOYSA-N145.5Ex 145.51(BP est) -8.43(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CC1 -8.4PredN
CC=C(Br)Br10516199.873C3H4Br21,1-dibromoprop-1-eneN95CC=C(Br)BrInChI=1S/C3H4Br2/c1-2-3(4)5/h2H,1H3InChIKey=HTEJLXYOJZOXKM-UHFFFAOYSA-N127.4Ex 154.17(BP est) -36.34(MP est) 125.00(BP exp) ----(MP exp) CC=C(Br)Br -36.3PredN
BrC1CC1Br10517199.873C3H4Br21,2-dibromocyclopropaneN95BrC1CC1BrInChI=1S/C3H4Br2/c4-2-1-3(2)5/h2-3H,1H2InChIKey=SRTPQRFGGDGJBV-UHFFFAOYSA-N150.8Ex 150.77(BP est) -20.96(MP est) ----(BP exp) ----(MP exp) BrC1CC1Br -21PredN
CC(Br)=CBr10518199.873C3H4Br21,2-dibromoprop-1-eneN95CC(Br)=CBrInChI=1S/C3H4Br2/c1-3(5)2-4/h2H,1H3InChIKey=JVNZUEVMRPWHLF-UHFFFAOYSA-N154.2Ex 154.17(BP est) -36.34(MP est) ----(BP exp) ----(MP exp) CC(Br)=CBr -36.3PredN
C(Br)(C=CBr)10519199.873C3H4Br21,3-dibromoprop-1-eneN95C(Br)(C=CBr)InChI=1S/C3H4Br2/c4-2-1-3-5/h1-2H,3H2InChIKey=JWQMKMSVOYQICF-UHFFFAOYSA-N160.1Ex 160.11(BP est) -27.62(MP est) ----(BP exp) ----(MP exp) C(Br)(C=CBr) -27.6PredN
BrCC(Br)=C10520199.873C3H4Br22,3-dibromoprop-1-eneN95BrCC(Br)=CInChI=1S/C3H4Br2/c1-3(5)2-4/h1-2H2InChIKey=YMFWYDYJHRGGPF-UHFFFAOYSA-N140.7Ex 145.73(BP est) -37.14(MP est) 141.00(BP exp) ----(MP exp) BrCC(Br)=C -37.1PredY(Kladi et al. 2004)
BrC(C=C)Br10521199.873C3H4Br23,3-dibromoprop-1-eneN95BrC(C=C)BrInChI=1S/C3H4Br2/c1-2-3(4)5/h2-3H,1H2InChIKey=BOJOVIWYQLKZFJ-UHFFFAOYSA-N138.3Ex 138.34(BP est) -39.82(MP est) ----(BP exp) ----(MP exp) BrC(C=C)Br -39.8PredN
O=PC(I)=C10522199.915C2H2IOP(1-iodovinyl)(oxo)phosphaneN75O=PC(I)=CInChI=1S/C2H2IOP/c1-2(3)5-4/h1H2InChIKey=DLFIYMVSEIEJPN-UHFFFAOYSA-N183.0Ex 183.04(BP est) -29.47(MP est) ----(BP exp) ----(MP exp) O=PC(I)=C -29.5PredN
O=PC=CI10523199.915C2H2IOP(2-iodovinyl)(oxo)phosphaneN75O=PC=CIInChI=1S/C2H2IOP/c3-1-2-5-4/h1-2HInChIKey=FYEDJZNGJKOZAE-UHFFFAOYSA-N196.4Ex 196.39(BP est) -20.25(MP est) ----(BP exp) ----(MP exp) O=PC=CI -20.3PredN
OC(F)(I)(C#C)10525199.951C3H2FIO1-fluoro-1-iodoprop-2-yn-1-olN86OC(F)(I)(C#C)InChI=1S/C3H2FIO/c1-2-3(4,5)6/h1,6HInChIKey=BXKSARQLLDKIEC-UHFFFAOYSA-N166.9Ex 166.90(BP est) 1.53(MP est) ----(BP exp) ----(MP exp) OC(F)(I)(C#C) 1.5PredN
OC(F)(C#CI)10526199.951C3H2FIO1-fluoro-3-iodoprop-2-yn-1-olN86OC(F)(C#CI)InChI=1S/C3H2FIO/c4-3(6)1-2-5/h3,6HInChIKey=QFGWIEGNALVEMI-UHFFFAOYSA-N192.6Ex 192.62(BP est) 29.90(MP est) ----(BP exp) ----(MP exp) OC(F)(C#CI) 29.9PredN
FC(I)C1=CO110527199.951C3H2FIO2-(fluoroiodomethyl)oxireneN86FC(I)C1=CO1InChI=1S/C3H2FIO/c4-3(5)2-1-6-2/h1,3HInChIKey=UDQZCRCIHGEUDR-UHFFFAOYSA-N142.1Ex 142.10(BP est) -37.30(MP est) ----(BP exp) ----(MP exp) FC(I)C1=CO1 -37.3PredN
IC(O1)=C1CF10528199.951C3H2FIO2-(fluoromethyl)-3-iodooxireneN86IC(O1)=C1CFInChI=1S/C3H2FIO/c4-1-2-3(5)6-2/h1H2InChIKey=UDGHGMDHUQGNPF-UHFFFAOYSA-N153.6Ex 153.55(BP est) -20.20(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1CF -20.2PredN
FC(O1)=C1CI10529199.951C3H2FIO2-fluoro-3-(iodomethyl)oxireneN86FC(O1)=C1CIInChI=1S/C3H2FIO/c4-3-2(1-5)6-3/h1H2InChIKey=BKEZPUSRNQWMAA-UHFFFAOYSA-N153.6Ex 153.55(BP est) -20.20(MP est) ----(BP exp) ----(MP exp) FC(O1)=C1CI -20.2PredN
C(=O)C(F)=C(I)10530199.951C3H2FIO2-fluoro-3-iodoacrylaldehydeN86C(=O)C(F)=C(I)InChI=1S/C3H2FIO/c4-3(1-5)2-6/h1-2HInChIKey=GHHBBDRFFNEOFZ-UHFFFAOYSA-N172.5Ex 172.50(BP est) -40.46(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)=C(I) -40.5PredN
OC(I)(C#CF)10531199.951C3H2FIO3-fluoro-1-iodoprop-2-yn-1-olN86OC(I)(C#CF)InChI=1S/C3H2FIO/c4-2-1-3(5)6/h3,6HInChIKey=MWVSNLFMFRVNIO-UHFFFAOYSA-N192.6Ex 192.62(BP est) 29.90(MP est) ----(BP exp) ----(MP exp) OC(I)(C#CF) 29.9PredN
C(=O)C(I)=C(F)10532199.951C3H2FIO3-fluoro-2-iodoacrylaldehydeN86C(=O)C(I)=C(F)InChI=1S/C3H2FIO/c4-1-3(5)2-6/h1-2HInChIKey=UVJGVTMIQUGFLK-UHFFFAOYSA-N172.5Ex 172.50(BP est) -40.46(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)=C(F) -40.5PredN
C(=O)C=C(F)(I)10533199.951C3H2FIO3-fluoro-3-iodoacrylaldehydeN86C(=O)C=C(F)(I)InChI=1S/C3H2FIO/c4-3(5)1-2-6/h1-2HInChIKey=RUAKJVHODCICAG-UHFFFAOYSA-N172.5Ex 172.50(BP est) -40.46(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(F)(I) -40.5PredN
IC(P)C=C10534199.959C3H6IP(1-iodoallyl)phosphaneN115IC(P)C=CInChI=1S/C3H6IP/c1-2-3(4)5/h2-3H,1,5H2InChIKey=WNXIBDMYAHGPGX-UHFFFAOYSA-N155.0Ex 155.04(BP est) -50.03(MP est) ----(BP exp) ----(MP exp) IC(P)C=C -50PredN
CPC(I)=C10535199.959C3H6IP(1-iodovinyl)(methyl)phosphaneN115CPC(I)=CInChI=1S/C3H6IP/c1-3(4)5-2/h5H,1H2,2H3InChIKey=DBZBFNQDBGNQPK-UHFFFAOYSA-N143.3Ex 143.34(BP est) -61.11(MP est) ----(BP exp) ----(MP exp) CPC(I)=C -61.1PredN
PCC(I)=C10536199.959C3H6IP(2-iodoallyl)phosphaneN115PCC(I)=CInChI=1S/C3H6IP/c1-3(4)2-5/h1-2,5H2InChIKey=IZDUNUPCBOOVHM-UHFFFAOYSA-N162.2Ex 162.20(BP est) -47.42(MP est) ----(BP exp) ----(MP exp) PCC(I)=C -47.4PredN
CPC=CI10537199.959C3H6IP(2-iodovinyl)(methyl)phosphaneN115CPC=CIInChI=1S/C3H6IP/c1-5-3-2-4/h2-3,5H,1H3InChIKey=RSOKJZIRLDYGMB-UHFFFAOYSA-N157.8Ex 157.79(BP est) -51.57(MP est) ----(BP exp) ----(MP exp) CPC=CI -51.6PredN
PCC=CI10538199.959C3H6IP(3-iodoallyl)phosphaneN115PCC=CIInChI=1S/C3H6IP/c4-2-1-3-5/h1-2H,3,5H2InChIKey=QJOQSTZMFINVKI-UHFFFAOYSA-N176.1Ex 176.14(BP est) -38.03(MP est) ----(BP exp) ----(MP exp) PCC=CI -38PredN
ICPC=C10539199.959C3H6IP(iodomethyl)(vinyl)phosphaneN115ICPC=CInChI=1S/C3H6IP/c1-2-5-3-4/h2,5H,1,3H2InChIKey=DHWNWCNXBVANJM-UHFFFAOYSA-N149.4Ex 149.41(BP est) -52.36(MP est) ----(BP exp) ----(MP exp) ICPC=C -52.4PredN
ICP1CC110540199.959C3H6IP1-(iodomethyl)phosphiraneN115ICP1CC1InChI=1S/C3H6IP/c4-3-5-1-2-5/h1-3H2InChIKey=JBMRITJOABDSIP-UHFFFAOYSA-N160.0Ex 159.97(BP est) -36.23(MP est) ----(BP exp) ----(MP exp) ICP1CC1 -36.2PredN
CP1C(I)C110541199.959C3H6IP2-iodo-1-methylphosphiraneN115CP1C(I)C1InChI=1S/C3H6IP/c1-5-2-3(5)4/h3H,2H2,1H3InChIKey=WTCDBWFQUITTNA-UHFFFAOYSA-N153.7Ex 153.66(BP est) -40.19(MP est) ----(BP exp) ----(MP exp) CP1C(I)C1 -40.2PredN
IC1CCP110542199.959C3H6IP2-iodophosphetaneN115IC1CCP1InChI=1S/C3H6IP/c4-3-1-2-5-3/h3,5H,1-2H2InChIKey=UDEBVLPKQMYHBY-UHFFFAOYSA-N154.8Ex 154.79(BP est) -40.94(MP est) ----(BP exp) ----(MP exp) IC1CCP1 -40.9PredN
IC1CPC110543199.959C3H6IP3-iodophosphetaneN115IC1CPC1InChI=1S/C3H6IP/c4-3-1-5-2-3/h3,5H,1-2H2InChIKey=GJLSBVPYMCIBFC-UHFFFAOYSA-N154.8Ex 154.79(BP est) -40.94(MP est) ----(BP exp) ----(MP exp) IC1CPC1 -40.9PredN
C(I)OC(=O)C10544199.975C3H5IO2iodomethyl acetateN116C(I)OC(=O)CInChI=1S/C3H5IO2/c1-3(5)6-2-4/h2H2,1H3InChIKey=NZDJTVSTIFYISQ-UHFFFAOYSA-N163.7Ex 163.71(BP est) -33.63(MP est) ----(BP exp) ----(MP exp) C(I)OC(=O)C -33.6PredN
COC(=O)C(I)10545199.975C3H5IO2methyl 2-iodoacetateN116COC(=O)C(I)InChI=1S/C3H5IO2/c1-6-3(5)2-4/h2H2,1H3InChIKey=YDGMIJCIBXSCQR-UHFFFAOYSA-N163.7Ex 163.71(BP est) -33.63(MP est) ----(BP exp) ----(MP exp) COC(=O)C(I) -33.6PredY(Kladi et al. 2004)
NC(NCI)=O10546199.979C2H5IN2O1-(iodomethyl)ureaN116NC(NCI)=OInChI=1S/C2H5IN2O/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=XCKTXHKMBWKCRI-UHFFFAOYSA-N265.8Ex 265.77(BP est) 64.21(MP est) ----(BP exp) ----(MP exp) NC(NCI)=O 64.2PredN
C(C(F)I)(C1)(C1)10547199.995C4H6FI(fluoroiodomethyl)cyclopropaneN126C(C(F)I)(C1)(C1)InChI=1S/C4H6FI/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=GHDPXPQHIAMULN-UHFFFAOYSA-N128.4Ex 128.38(BP est) -57.71(MP est) ----(BP exp) ----(MP exp) C(C(F)I)(C1)(C1) -57.7PredN
C(I)(CF)(C1)(C1)10548199.995C4H6FI1-(fluoromethyl)-1-iodocyclopropaneN126C(I)(CF)(C1)(C1)InChI=1S/C4H6FI/c5-3-4(6)1-2-4/h1-3H2InChIKey=USZQCCSYISOHSF-UHFFFAOYSA-N130.1Ex 130.10(BP est) -37.76(MP est) ----(BP exp) ----(MP exp) C(I)(CF)(C1)(C1) -37.8PredN
C(CF)(C1)(C1I)10549199.995C4H6FI1-(fluoromethyl)-2-iodocyclopropaneN126C(CF)(C1)(C1I)InChI=1S/C4H6FI/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=OLTXMZFLBCGSEP-UHFFFAOYSA-N135.5Ex 135.52(BP est) -50.25(MP est) ----(BP exp) ----(MP exp) C(CF)(C1)(C1I) -50.3PredN
C(F)(CI)(C1)(C1)10550199.995C4H6FI1-fluoro-1-(iodomethyl)cyclopropaneN126C(F)(CI)(C1)(C1)InChI=1S/C4H6FI/c5-4(3-6)1-2-4/h1-3H2InChIKey=YFMNCRHQJRWCLL-UHFFFAOYSA-N130.1Ex 130.10(BP est) -37.76(MP est) ----(BP exp) ----(MP exp) C(F)(CI)(C1)(C1) -37.8PredN
C(C)(C1)(C1(F)I)10551199.995C4H6FI1-fluoro-1-iodo-2-methylcyclopropaneN126C(C)(C1)(C1(F)I)InChI=1S/C4H6FI/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=NYKGPXLGEWZCNP-UHFFFAOYSA-N123.4Ex 123.44(BP est) -41.83(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C1(F)I) -41.8PredN
C(F)(I)=C(C)(C)10552199.995C4H6FI1-fluoro-1-iodo-2-methylprop-1-eneN126C(F)(I)=C(C)(C)InChI=1S/C4H6FI/c1-3(2)4(5)6/h1-2H3InChIKey=RZRLRUUBESYREQ-UHFFFAOYSA-N132.8Ex 132.83(BP est) -74.38(MP est) ----(BP exp) ----(MP exp) C(F)(I)=C(C)(C) -74.4PredN
C(CC=C(F)I)10553199.995C4H6FI1-fluoro-1-iodobut-1-eneN126C(CC=C(F)I)InChI=1S/C4H6FI/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=ORZUWZWWQDSVFB-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(CC=C(F)I) -65.6PredN
C(C)=C(C(F)I)10554199.995C4H6FI1-fluoro-1-iodobut-2-eneN126C(C)=C(C(F)I)InChI=1S/C4H6FI/c1-2-3-4(5)6/h2-4H,1H3InChIKey=DNKGQRSFWCEACY-UHFFFAOYSA-N131.5Ex 131.54(BP est) -68.30(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(F)I) -68.3PredN
C(C1)(CC1(F)I)10555199.995C4H6FI1-fluoro-1-iodocyclobutaneN126C(C1)(CC1(F)I)InChI=1S/C4H6FI/c5-4(6)2-1-3-4/h1-3H2InChIKey=CPTGHCAFJSOZSB-UHFFFAOYSA-N132.2Ex 132.20(BP est) -38.91(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1(F)I) -38.9PredN
C(CI)(C1)(C1F)10556199.995C4H6FI1-fluoro-2-(iodomethyl)cyclopropaneN126C(CI)(C1)(C1F)InChI=1S/C4H6FI/c5-4-1-3(4)2-6/h3-4H,1-2H2InChIKey=RDMJHFGKPFCEBE-UHFFFAOYSA-N135.5Ex 135.52(BP est) -50.25(MP est) ----(BP exp) ----(MP exp) C(CI)(C1)(C1F) -50.3PredN
C(F)(C)(C1)(C1I)10557199.995C4H6FI1-fluoro-2-iodo-1-methylcyclopropaneN126C(F)(C)(C1)(C1I)InChI=1S/C4H6FI/c1-4(5)2-3(4)6/h3H,2H2,1H3InChIKey=ZJYWDINPKFZNCI-UHFFFAOYSA-N123.4Ex 123.44(BP est) -41.83(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C1)(C1I) -41.8PredN
C(C)(C1I)(C1F)10558199.995C4H6FI1-fluoro-2-iodo-3-methylcyclopropaneN126C(C)(C1I)(C1F)InChI=1S/C4H6FI/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=PKDPTZDGFVMXQX-UHFFFAOYSA-N128.9Ex 128.91(BP est) -54.30(MP est) ----(BP exp) ----(MP exp) C(C)(C1I)(C1F) -54.3PredN
C(CC(I)=CF)10559199.995C4H6FI1-fluoro-2-iodobut-1-eneN126C(CC(I)=CF)InChI=1S/C4H6FI/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=RDJXHFJMELIUGC-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(CC(I)=CF) -65.6PredN
C(C)=C(I)(CF)10560199.995C4H6FI1-fluoro-2-iodobut-2-eneN126C(C)=C(I)(CF)InChI=1S/C4H6FI/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=PMIUTOIXEGSQLO-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(C)=C(I)(CF) -65.6PredN
C(C1)(C(I)C1F)10561199.995C4H6FI1-fluoro-2-iodocyclobutaneN126C(C1)(C(I)C1F)InChI=1S/C4H6FI/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=NAXLNCDPTVHLDM-UHFFFAOYSA-N137.6Ex 137.59(BP est) -51.41(MP est) ----(BP exp) ----(MP exp) C(C1)(C(I)C1F) -51.4PredN
C(F)=C(C)(CI)10562199.995C4H6FI1-fluoro-3-iodo-2-methylprop-1-eneN126C(F)=C(C)(CI)InChI=1S/C4H6FI/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=KBEIITVMKDSJOB-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(F)=C(C)(CI) -65.6PredN
C(C(I)C=CF)10563199.995C4H6FI1-fluoro-3-iodobut-1-eneN126C(C(I)C=CF)InChI=1S/C4H6FI/c1-4(6)2-3-5/h2-4H,1H3InChIKey=WQFGTQYDKRFLPO-UHFFFAOYSA-N131.5Ex 131.54(BP est) -68.30(MP est) ----(BP exp) ----(MP exp) C(C(I)C=CF) -68.3PredN
C(CF)=C(I)(C)10564199.995C4H6FI1-fluoro-3-iodobut-2-eneN126C(CF)=C(I)(C)InChI=1S/C4H6FI/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=SNCWMPWNARXKIZ-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(CF)=C(I)(C) -65.6PredN
C(C1I)(C(F)C1)10565199.995C4H6FI1-fluoro-3-iodocyclobutaneN126C(C1I)(C(F)C1)InChI=1S/C4H6FI/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=XWJGWRWGKMDLQN-UHFFFAOYSA-N137.6Ex 137.59(BP est) -51.41(MP est) ----(BP exp) ----(MP exp) C(C1I)(C(F)C1) -51.4PredN
C(I)(CC=CF)10566199.995C4H6FI1-fluoro-4-iodobut-1-eneN126C(I)(CC=CF)InChI=1S/C4H6FI/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=NCDIJSKTXXSQMU-UHFFFAOYSA-N145.1Ex 145.12(BP est) -56.84(MP est) ----(BP exp) ----(MP exp) C(I)(CC=CF) -56.8PredN
C(CI)=C(CF)10567199.995C4H6FI1-fluoro-4-iodobut-2-eneN126C(CI)=C(CF)InChI=1S/C4H6FI/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=MXIWRZIBOOIISP-UHFFFAOYSA-N145.1Ex 145.12(BP est) -56.84(MP est) ----(BP exp) ----(MP exp) C(CI)=C(CF) -56.8PredN
C(I)(C)(C1)(C1F)10568199.995C4H6FI2-fluoro-1-iodo-1-methylcyclopropaneN126C(I)(C)(C1)(C1F)InChI=1S/C4H6FI/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=HYTXVDMWTPVCAC-UHFFFAOYSA-N123.4Ex 123.44(BP est) -41.83(MP est) ----(BP exp) ----(MP exp) C(I)(C)(C1)(C1F) -41.8PredN
C(CC(F)=CI)10569199.995C4H6FI2-fluoro-1-iodobut-1-eneN126C(CC(F)=CI)InChI=1S/C4H6FI/c1-2-4(5)3-6/h3H,2H2,1H3InChIKey=JRARKDKRRUJQGU-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(CC(F)=CI) -65.6PredN
C(C)=C(F)(CI)10570199.995C4H6FI2-fluoro-1-iodobut-2-eneN126C(C)=C(F)(CI)InChI=1S/C4H6FI/c1-2-4(5)3-6/h2H,3H2,1H3InChIKey=CCWKDTZOROTTEM-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(C)=C(F)(CI) -65.6PredN
C(C(I)C(F)=C)10572199.995C4H6FI2-fluoro-3-iodobut-1-eneN126C(C(I)C(F)=C)InChI=1S/C4H6FI/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=OGLFLYVMCPQSPL-UHFFFAOYSA-N116.4Ex 116.39(BP est) -78.05(MP est) ----(BP exp) ----(MP exp) C(C(I)C(F)=C) -78.1PredN
C(I)(C)=C(F)(C)10573199.995C4H6FI2-fluoro-3-iodobut-2-eneN126C(I)(C)=C(F)(C)InChI=1S/C4H6FI/c1-3(5)4(2)6/h1-2H3InChIKey=BRENGANMJWYGDC-UHFFFAOYSA-N132.8Ex 132.83(BP est) -74.38(MP est) ----(BP exp) ----(MP exp) C(I)(C)=C(F)(C) -74.4PredN
C(I)(CC(F)=C)10574199.995C4H6FI2-fluoro-4-iodobut-1-eneN126C(I)(CC(F)=C)InChI=1S/C4H6FI/c1-4(5)2-3-6/h1-3H2InChIKey=KGKZXERJZYFJFB-UHFFFAOYSA-N130.3Ex 130.33(BP est) -66.48(MP est) ----(BP exp) ----(MP exp) C(I)(CC(F)=C) -66.5PredN
C(I)=C(C)(CF)10575199.995C4H6FI3-fluoro-1-iodo-2-methylprop-1-eneN126C(I)=C(C)(CF)InChI=1S/C4H6FI/c1-4(2-5)3-6/h3H,2H2,1H3InChIKey=POOLEDIKCLYIIF-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(I)=C(C)(CF) -65.6PredN
C(C(F)C=CI)10576199.995C4H6FI3-fluoro-1-iodobut-1-eneN126C(C(F)C=CI)InChI=1S/C4H6FI/c1-4(5)2-3-6/h2-4H,1H3InChIKey=RCSRVBNBTVZOHW-UHFFFAOYSA-N131.5Ex 131.54(BP est) -68.30(MP est) ----(BP exp) ----(MP exp) C(C(F)C=CI) -68.3PredN
C(CI)=C(F)(C)10577199.995C4H6FI3-fluoro-1-iodobut-2-eneN126C(CI)=C(F)(C)InChI=1S/C4H6FI/c1-4(5)2-3-6/h2H,3H2,1H3InChIKey=FTZLNTIENAYNLM-UHFFFAOYSA-N139.0Ex 139.01(BP est) -65.60(MP est) ----(BP exp) ----(MP exp) C(CI)=C(F)(C) -65.6PredN
C=C(CI)(CF)10578199.995C4H6FI3-fluoro-2-(iodomethyl)prop-1-eneN126C=C(CI)(CF)InChI=1S/C4H6FI/c1-4(2-5)3-6/h1-3H2InChIKey=RHFOWISVUMPDDX-UHFFFAOYSA-N130.3Ex 130.33(BP est) -66.48(MP est) ----(BP exp) ----(MP exp) C=C(CI)(CF) -66.5PredN
C(C(F)C(I)=C)10579199.995C4H6FI3-fluoro-2-iodobut-1-eneN126C(C(F)C(I)=C)InChI=1S/C4H6FI/c1-3(5)4(2)6/h3H,2H2,1H3InChIKey=RMZTWUHGXDDUOV-UHFFFAOYSA-N116.4Ex 116.39(BP est) -78.05(MP est) ----(BP exp) ----(MP exp) C(C(F)C(I)=C) -78.1PredN
C=C(C)(C(F)I)10580199.995C4H6FI3-fluoro-3-iodo-2-methylprop-1-eneN126C=C(C)(C(F)I)InChI=1S/C4H6FI/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=UKIBMUPNSWGLHA-UHFFFAOYSA-N116.4Ex 116.39(BP est) -78.05(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(F)I) -78.1PredN
C(C(F)(I)C=C)10581199.995C4H6FI3-fluoro-3-iodobut-1-eneN126C(C(F)(I)C=C)InChI=1S/C4H6FI/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=ZALSMOHCRBHSQK-UHFFFAOYSA-N113.5Ex 113.49(BP est) -63.20(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)C=C) -63.2PredN
C(I)(C(F)C=C)10582199.995C4H6FI3-fluoro-4-iodobut-1-eneN126C(I)(C(F)C=C)InChI=1S/C4H6FI/c1-2-4(5)3-6/h2,4H,1,3H2InChIKey=YMULLUVCTDVTHJ-UHFFFAOYSA-N122.7Ex 122.74(BP est) -69.21(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)C=C) -69.2PredN
C(F)(CC=CI)10583199.995C4H6FI4-fluoro-1-iodobut-1-eneN126C(F)(CC=CI)InChI=1S/C4H6FI/c5-3-1-2-4-6/h2,4H,1,3H2InChIKey=HFDDLQLYQCWUOG-UHFFFAOYSA-N145.1Ex 145.12(BP est) -56.84(MP est) ----(BP exp) ----(MP exp) C(F)(CC=CI) -56.8PredN
C(F)(CC(I)=C)10584199.995C4H6FI4-fluoro-2-iodobut-1-eneN126C(F)(CC(I)=C)InChI=1S/C4H6FI/c1-4(6)2-3-5/h1-3H2InChIKey=FJKYLWJYGQGGRP-UHFFFAOYSA-N130.3Ex 130.33(BP est) -66.48(MP est) ----(BP exp) ----(MP exp) C(F)(CC(I)=C) -66.5PredN
C(F)(C(I)C=C)10585199.995C4H6FI4-fluoro-3-iodobut-1-eneN126C(F)(C(I)C=C)InChI=1S/C4H6FI/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=GUJDAARLXPCFLJ-UHFFFAOYSA-N122.7Ex 122.74(BP est) -69.21(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)C=C) -69.2PredN
C(F)(I)(CC=C)10586199.995C4H6FI4-fluoro-4-iodobut-1-eneN126C(F)(I)(CC=C)InChI=1S/C4H6FI/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=HZUBSHGSCNMBOK-UHFFFAOYSA-N122.7Ex 122.74(BP est) -69.21(MP est) ----(BP exp) ----(MP exp) C(F)(I)(CC=C) -69.2PredN
ICOCCC10587200.019C4H9IO1-(iodomethoxy)propaneN156ICOCCCInChI=1S/C4H9IO/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=CHSRDTRQWSBNGQ-UHFFFAOYSA-N159.0Ex 159.03(BP est) -39.42(MP est) ----(BP exp) ----(MP exp) ICOCCC -39.4PredN
CCOC(C)I10588200.019C4H9IO1-ethoxy-1-iodoethaneN156CCOC(C)IInChI=1S/C4H9IO/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=QNOXOQYCVBEWKM-UHFFFAOYSA-N145.8Ex 145.79(BP est) -50.78(MP est) ----(BP exp) ----(MP exp) CCOC(C)I -50.8PredN
CCOCCI10589200.019C4H9IO1-ethoxy-2-iodoethaneN156CCOCCIInChI=1S/C4H9IO/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=YZWJRUFHOBINIK-UHFFFAOYSA-N159.0Ex 159.03(BP est) -39.42(MP est) ----(BP exp) ----(MP exp) CCOCCI -39.4PredN
COC(CC)I10590200.019C4H9IO1-iodo-1-methoxypropaneN156COC(CC)IInChI=1S/C4H9IO/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=SSDQXWVLUXBZKW-UHFFFAOYSA-N145.8Ex 145.79(BP est) -50.78(MP est) ----(BP exp) ----(MP exp) COC(CC)I -50.8PredN
COC(CI)C10591200.019C4H9IO1-iodo-2-methoxypropaneN156COC(CI)CInChI=1S/C4H9IO/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=FIUGHGUTAZLFGL-UHFFFAOYSA-N145.8Ex 145.79(BP est) -50.78(MP est) ----(BP exp) ----(MP exp) COC(CI)C -50.8PredN
OC(I)C(C)(C)10592200.019C4H9IO1-iodo-2-methylpropan-1-olN156OC(I)C(C)(C)InChI=1S/C4H9IO/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=HUZAPOVLMZVNMS-UHFFFAOYSA-N183.9Ex 183.94(BP est) -27.85(MP est) ----(BP exp) ----(MP exp) OC(I)C(C)(C) -27.9PredN
OC(C)(C)(CI)10593200.019C4H9IO1-iodo-2-methylpropan-2-olN156OC(C)(C)(CI)InChI=1S/C4H9IO/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=UOQIHMBZKSCLPI-UHFFFAOYSA-N178.5Ex 178.53(BP est) -13.22(MP est) ----(BP exp) ----(MP exp) OC(C)(C)(CI) -13.2PredN
COCCCI10594200.019C4H9IO1-iodo-3-methoxypropaneN156COCCCIInChI=1S/C4H9IO/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=DFNCRJSFSDJOBT-UHFFFAOYSA-N159.0Ex 159.03(BP est) -39.42(MP est) ----(BP exp) ----(MP exp) COCCCI -39.4PredN
OC(I)(CCC)10595200.019C4H9IO1-iodobutan-1-olN156OC(I)(CCC)InChI=1S/C4H9IO/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=LCOVKDAXALQMGM-UHFFFAOYSA-N196.2Ex 196.21(BP est) -16.77(MP est) ----(BP exp) ----(MP exp) OC(I)(CCC) -16.8PredN
OC(CI)(CC)10596200.019C4H9IO1-iodobutan-2-olN156OC(CI)(CC)InChI=1S/C4H9IO/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=XATASVWMNXKVMR-UHFFFAOYSA-N196.2Ex 196.21(BP est) -16.77(MP est) ----(BP exp) ----(MP exp) OC(CI)(CC) -16.8PredN
ICOC(C)C10597200.019C4H9IO2-(iodomethoxy)propaneN156ICOC(C)CInChI=1S/C4H9IO/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=HUANUCSQZZFJRD-UHFFFAOYSA-N145.8Ex 145.79(BP est) -50.78(MP est) ----(BP exp) ----(MP exp) ICOC(C)C -50.8PredN
COCC(C)I10598200.019C4H9IO2-iodo-1-methoxypropaneN156COCC(C)IInChI=1S/C4H9IO/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=ZPHCRNNVHZDKDU-UHFFFAOYSA-N145.8Ex 145.79(BP est) -50.78(MP est) ----(BP exp) ----(MP exp) COCC(C)I -50.8PredN
COC(C)(C)I10599200.019C4H9IO2-iodo-2-methoxypropaneN156COC(C)(C)IInChI=1S/C4H9IO/c1-4(2,5)6-3/h1-3H3InChIKey=BQFSDMUAXLWSNC-UHFFFAOYSA-N136.9Ex 136.91(BP est) -44.67(MP est) ----(BP exp) ----(MP exp) COC(C)(C)I -44.7PredN
OCC(I)(C)(C)10600200.019C4H9IO2-iodo-2-methylpropan-1-olN156OCC(I)(C)(C)InChI=1S/C4H9IO/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=FTXCNEMXDORCPF-UHFFFAOYSA-N194.7Ex 194.74(BP est) -8.49(MP est) ----(BP exp) ----(MP exp) OCC(I)(C)(C) -8.5PredN
OC(C(I)CC)10601200.019C4H9IO2-iodobutan-1-olN156OC(C(I)CC)InChI=1S/C4H9IO/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=GVYHZUNZPGWEPZ-UHFFFAOYSA-N202.7Ex 202.66(BP est) -14.89(MP est) ----(BP exp) ----(MP exp) OC(C(I)CC) -14.9PredN
OC(I)(C)(CC)10602200.019C4H9IO2-iodobutan-2-olN156OC(I)(C)(CC)InChI=1S/C4H9IO/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=USCXGCFJPVPAQB-UHFFFAOYSA-N178.5Ex 178.53(BP est) -13.22(MP est) ----(BP exp) ----(MP exp) OC(I)(C)(CC) -13.2PredN
OCC(C)(CI)10603200.019C4H9IO3-iodo-2-methylpropan-1-olN156OCC(C)(CI)InChI=1S/C4H9IO/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=DTINAOLTRPNYET-UHFFFAOYSA-N202.7Ex 202.66(BP est) -14.89(MP est) ----(BP exp) ----(MP exp) OCC(C)(CI) -14.9PredN
OC(CC(I)C)10604200.019C4H9IO3-iodobutan-1-olN156OC(CC(I)C)InChI=1S/C4H9IO/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=BDKFMDYLRDXADR-UHFFFAOYSA-N202.7Ex 202.66(BP est) -14.89(MP est) ----(BP exp) ----(MP exp) OC(CC(I)C) -14.9PredN
OC(C)(C(I)C)10605200.019C4H9IO3-iodobutan-2-olN156OC(C)(C(I)C)InChI=1S/C4H9IO/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=HCJKVWVUJPBQPK-UHFFFAOYSA-N183.9Ex 183.94(BP est) -27.85(MP est) ----(BP exp) ----(MP exp) OC(C)(C(I)C) -27.9PredN
OC(CCCI)10606200.019C4H9IO4-iodobutan-1-olN156OC(CCCI)InChI=1S/C4H9IO/c5-3-1-2-4-6/h6H,1-4H2InChIKey=VRICZARLROAIDW-UHFFFAOYSA-N72.0Ex 214.42(BP est) -3.95(MP est) ----(BP exp) ----(MP exp) OC(CCCI) -4PredN
OC(C)(CCI)10607200.019C4H9IO4-iodobutan-2-olN156OC(C)(CCI)InChI=1S/C4H9IO/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=FRITUKTYDGNWAY-UHFFFAOYSA-N63.0Ex 196.21(BP est) -16.77(MP est) ----(BP exp) ----(MP exp) OC(C)(CCI) -16.8PredN
NNC(C)(CI)10608200.023C3H9IN2(1-iodopropan-2-yl)hydrazineN156NNC(C)(CI)InChI=1S/C3H9IN2/c1-3(2-4)6-5/h3,6H,2,5H2,1H3InChIKey=SGYYHLJFGJBCRO-UHFFFAOYSA-N198.2Ex 198.20(BP est) 15.73(MP est) ----(BP exp) ----(MP exp) NNC(C)(CI) 15.7PredN
NNC(I)(CC)10609200.023C3H9IN2(1-iodopropyl)hydrazineN156NNC(I)(CC)InChI=1S/C3H9IN2/c1-2-3(4)6-5/h3,6H,2,5H2,1H3InChIKey=NWVXIGPJLJISSH-UHFFFAOYSA-N198.2Ex 198.20(BP est) 15.73(MP est) ----(BP exp) ----(MP exp) NNC(I)(CC) 15.7PredN
NNC(I)(C)(C)10610200.023C3H9IN2(2-iodopropan-2-yl)hydrazineN156NNC(I)(C)(C)InChI=1S/C3H9IN2/c1-3(2,4)6-5/h6H,5H2,1-2H3InChIKey=HPQNHTWXRUDPRA-UHFFFAOYSA-N190.2Ex 190.21(BP est) 22.11(MP est) ----(BP exp) ----(MP exp) NNC(I)(C)(C) 22.1PredN
NNC(C(I)C)10611200.023C3H9IN2(2-iodopropyl)hydrazineN156NNC(C(I)C)InChI=1S/C3H9IN2/c1-3(4)2-6-5/h3,6H,2,5H2,1H3InChIKey=PBOLLHSFJGVKJQ-UHFFFAOYSA-N198.2Ex 198.20(BP est) 15.73(MP est) ----(BP exp) ----(MP exp) NNC(C(I)C) 15.7PredN
NNC(CCI)10612200.023C3H9IN2(3-iodopropyl)hydrazineN156NNC(CCI)InChI=1S/C3H9IN2/c4-2-1-3-6-5/h6H,1-3,5H2InChIKey=KFLSDCPJRGUWEQ-UHFFFAOYSA-N210.1Ex 210.09(BP est) 26.70(MP est) ----(BP exp) ----(MP exp) NNC(CCI) 26.7PredN
CN(C(I)(C))N10613200.023C3H9IN21-(1-iodoethyl)-1-methylhydrazineN156CN(C(I)(C))NInChI=1S/C3H9IN2/c1-3(4)6(2)5/h3H,5H2,1-2H3InChIKey=TVQRKPQEUZWLHN-UHFFFAOYSA-N179.9Ex 179.89(BP est) 0.29(MP est) ----(BP exp) ----(MP exp) CN(C(I)(C))N 0.3PredN
CNNC(I)(C)10614200.023C3H9IN21-(1-iodoethyl)-2-methylhydrazineN156CNNC(I)(C)InChI=1S/C3H9IN2/c1-3(4)6-5-2/h3,5-6H,1-2H3InChIKey=WYDJVXUOTMUFDO-UHFFFAOYSA-N182.3Ex 182.29(BP est) -4.22(MP est) ----(BP exp) ----(MP exp) CNNC(I)(C) -4.2PredN
CN(C(CI))N10615200.023C3H9IN21-(2-iodoethyl)-1-methylhydrazineN156CN(C(CI))NInChI=1S/C3H9IN2/c1-6(5)3-2-4/h2-3,5H2,1H3InChIKey=LQJIIHOYPAYRNO-UHFFFAOYSA-N192.3Ex 192.27(BP est) 11.40(MP est) ----(BP exp) ----(MP exp) CN(C(CI))N 11.4PredN
CNNC(CI)10616200.023C3H9IN21-(2-iodoethyl)-2-methylhydrazineN156CNNC(CI)InChI=1S/C3H9IN2/c1-5-6-3-2-4/h5-6H,2-3H2,1H3InChIKey=GWVDDBSUAFJDET-UHFFFAOYSA-N194.6Ex 194.61(BP est) 6.88(MP est) ----(BP exp) ----(MP exp) CNNC(CI) 6.9PredN
CN(C(I))NC10617200.023C3H9IN21-(iodomethyl)-1,2-dimethylhydrazineN156CN(C(I))NCInChI=1S/C3H9IN2/c1-5-6(2)3-4/h5H,3H2,1-2H3InChIKey=ANLNIKADXSWIOW-UHFFFAOYSA-N176.2Ex 176.15(BP est) -8.60(MP est) ----(BP exp) ----(MP exp) CN(C(I))NC -8.6PredN
C(I)N(C(C))N10618200.023C3H9IN21-ethyl-1-(iodomethyl)hydrazineN156C(I)N(C(C))NInChI=1S/C3H9IN2/c1-2-6(5)3-4/h2-3,5H2,1H3InChIKey=DKRLYUIBVSWBCA-UHFFFAOYSA-N192.3Ex 192.27(BP est) 11.40(MP est) ----(BP exp) ----(MP exp) C(I)N(C(C))N 11.4PredN
C(I)NNC(C)10619200.023C3H9IN21-ethyl-2-(iodomethyl)hydrazineN156C(I)NNC(C)InChI=1S/C3H9IN2/c1-2-5-6-3-4/h5-6H,2-3H2,1H3InChIKey=JOWUPGDJLXLPDI-UHFFFAOYSA-N194.6Ex 194.61(BP est) 6.88(MP est) ----(BP exp) ----(MP exp) C(I)NNC(C) 6.9PredN
CN(C)NC(I)10620200.023C3H9IN22-(iodomethyl)-1,1-dimethylhydrazineN156CN(C)NC(I)InChI=1S/C3H9IN2/c1-6(2)5-3-4/h5H,3H2,1-2H3InChIKey=MAGMMAJGNKGSEC-UHFFFAOYSA-N176.2Ex 176.15(BP est) -8.60(MP est) ----(BP exp) ----(MP exp) CN(C)NC(I) -8.6PredN
CSC(I)=C10621200.037C3H5IS(1-iodovinyl)(methyl)sulfaneN105CSC(I)=CInChI=1S/C3H5IS/c1-3(4)5-2/h1H2,2H3InChIKey=AHYMZIKPAVDLLV-UHFFFAOYSA-N169.3Ex 169.34(BP est) -43.82(MP est) ----(BP exp) ----(MP exp) CSC(I)=C -43.8PredN
CSC=C(I)10622200.037C3H5IS(2-iodovinyl)(methyl)sulfaneN105CSC=C(I)InChI=1S/C3H5IS/c1-5-3-2-4/h2-3H,1H3InChIKey=AXSQSXQZPXTJFK-UHFFFAOYSA-N183.1Ex 183.08(BP est) -34.49(MP est) ----(BP exp) ----(MP exp) CSC=C(I) -34.5PredN
C(I)SC=C10623200.037C3H5IS(iodomethyl)(vinyl)sulfaneN105C(I)SC=CInChI=1S/C3H5IS/c1-2-5-3-4/h2H,1,3H2InChIKey=LAAJGQKNYFMJQY-UHFFFAOYSA-N175.1Ex 175.10(BP est) -35.15(MP est) ----(BP exp) ----(MP exp) C(I)SC=C -35.2PredN
SC(I)(C1)(C1)10624200.037C3H5IS1-iodocyclopropane-1-thiolN105SC(I)(C1)(C1)InChI=1S/C3H5IS/c4-3(5)1-2-3/h5H,1-2H2InChIKey=LXAYAWAEVFEEPZ-UHFFFAOYSA-N181.7Ex 181.72(BP est) -10.39(MP est) ----(BP exp) ----(MP exp) SC(I)(C1)(C1) -10.4PredN
SC(I)(C=C)10625200.037C3H5IS1-iodoprop-2-ene-1-thiolN105SC(I)(C=C)InChI=1S/C3H5IS/c1-2-3(4)5/h2-3,5H,1H2InChIKey=JRASTEOLYYKWJE-UHFFFAOYSA-N175.0Ex 175.04(BP est) -41.64(MP est) ----(BP exp) ----(MP exp) SC(I)(C=C) -41.6PredN
ICC1CS110626200.037C3H5IS2-(iodomethyl)thiiraneN105ICC1CS1InChI=1S/C3H5IS/c4-1-3-2-5-3/h3H,1-2H2InChIKey=QOIZPOLZPKAKNW-UHFFFAOYSA-N178.0Ex 177.95(BP est) -2.95(MP est) ----(BP exp) ----(MP exp) ICC1CS1 -3PredN
IC1(C)CS110627200.037C3H5IS2-iodo-2-methylthiiraneN105IC1(C)CS1InChI=1S/C3H5IS/c1-3(4)2-5-3/h2H2,1H3InChIKey=IKYFXMFAJWHGPA-UHFFFAOYSA-N166.8Ex 166.80(BP est) 5.75(MP est) ----(BP exp) ----(MP exp) IC1(C)CS1 5.8PredN
IC1C(C)S110628200.037C3H5IS2-iodo-3-methylthiiraneN105IC1C(C)S1InChI=1S/C3H5IS/c1-2-3(4)5-2/h2-3H,1H3InChIKey=NIDCMHFOEXQJET-UHFFFAOYSA-N171.9Ex 171.86(BP est) -6.85(MP est) ----(BP exp) ----(MP exp) IC1C(C)S1 -6.9PredN
SC(C1)(C1I)10629200.037C3H5IS2-iodocyclopropane-1-thiolN105SC(C1)(C1I)InChI=1S/C3H5IS/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=ZSJPSGPGHRJMNX-UHFFFAOYSA-N186.6Ex 186.62(BP est) -23.03(MP est) ----(BP exp) ----(MP exp) SC(C1)(C1I) -23PredN
SC(C(I)=C)10630200.037C3H5IS2-iodoprop-2-ene-1-thiolN105SC(C(I)=C)InChI=1S/C3H5IS/c1-3(4)2-5/h5H,1-2H2InChIKey=GXDWAOWRAVVLSO-UHFFFAOYSA-N181.9Ex 181.93(BP est) -39.11(MP est) ----(BP exp) ----(MP exp) SC(C(I)=C) -39.1PredN
IC1SCC110631200.037C3H5IS2-iodothietaneN105IC1SCC1InChI=1S/C3H5IS/c4-3-1-2-5-3/h3H,1-2H2InChIKey=LBXPKLVYQPIBRE-UHFFFAOYSA-N179.9Ex 179.86(BP est) -4.15(MP est) ----(BP exp) ----(MP exp) IC1SCC1 -4.2PredN
SC(C=CI)10632200.037C3H5IS3-iodoprop-2-ene-1-thiolN105SC(C=CI)InChI=1S/C3H5IS/c4-2-1-3-5/h1-2,5H,3H2InChIKey=STPRHBNIOVTWCX-UHFFFAOYSA-N195.3Ex 195.31(BP est) -29.88(MP est) ----(BP exp) ----(MP exp) SC(C=CI) -29.9PredN
IC1CSC110633200.037C3H5IS3-iodothietaneN105IC1CSC1InChI=1S/C3H5IS/c4-3-1-5-2-3/h3H,1-2H2InChIKey=SKDVXEOEUMGNLE-UHFFFAOYSA-N179.9Ex 179.86(BP est) -4.15(MP est) ----(BP exp) ----(MP exp) IC1CSC1 -4.2PredN
ClC(C1)=C1I10634200.403C3H2ClI1-chloro-2-iodocycloprop-1-eneN75ClC(C1)=C1IInChI=1S/C3H2ClI/c4-2-1-3(2)5/h1H2InChIKey=HUAIOIFAYPQXBJ-UHFFFAOYSA-N156.4Ex 156.43(BP est) -17.98(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1I -18PredN
ClC1=CC1I10635200.403C3H2ClI1-chloro-3-iodocycloprop-1-eneN75ClC1=CC1IInChI=1S/C3H2ClI/c4-2-1-3(2)5/h1,3HInChIKey=DAFOXLSMDZHFCJ-UHFFFAOYSA-N152.0Ex 151.96(BP est) -27.66(MP est) ----(BP exp) ----(MP exp) ClC1=CC1I -27.7PredN
C(I)(C#CCl)10636200.403C3H2ClI1-chloro-3-iodoprop-1-yneN75C(I)(C#CCl)InChI=1S/C3H2ClI/c4-2-1-3-5/h3H2InChIKey=YWMSFZFJMFGAEQ-UHFFFAOYSA-N163.0Ex 163.03(BP est) 13.01(MP est) ----(BP exp) ----(MP exp) C(I)(C#CCl) 13PredN
IC1=CC1Cl10637200.403C3H2ClI3-chloro-1-iodocycloprop-1-eneN75IC1=CC1ClInChI=1S/C3H2ClI/c4-2-1-3(2)5/h1-2HInChIKey=GTXJNXJSWIOLQS-UHFFFAOYSA-N165.7Ex 165.70(BP est) -23.65(MP est) ----(BP exp) ----(MP exp) IC1=CC1Cl -23.7PredN
C(Cl)(C#CI)10638200.403C3H2ClI3-chloro-1-iodoprop-1-yneN75C(Cl)(C#CI)InChI=1S/C3H2ClI/c4-2-1-3-5/h2H2InChIKey=IRSNQGVPSQCWKJ-UHFFFAOYSA-N187.8Ex 187.77(BP est) 20.23(MP est) ----(BP exp) ----(MP exp) C(Cl)(C#CI) 20.2PredN
ClC1(I)C=C110639200.403C3H2ClI3-chloro-3-iodocycloprop-1-eneN75ClC1(I)C=C1InChI=1S/C3H2ClI/c4-3(5)1-2-3/h1-2HInChIKey=DIASGYQIGLKKOH-UHFFFAOYSA-N144.2Ex 144.15(BP est) -24.25(MP est) ----(BP exp) ----(MP exp) ClC1(I)C=C1 -24.3PredN
ClC(C#C)I10640200.403C3H2ClI3-chloro-3-iodoprop-1-yneN75ClC(C#C)IInChI=1S/C3H2ClI/c1-2-3(4)5/h1,3HInChIKey=DUXXFLJUORWMLB-UHFFFAOYSA-N155.6Ex 155.59(BP est) -26.23(MP est) ----(BP exp) ----(MP exp) ClC(C#C)I -26.2PredN
BrC1(Br)CN110641200.861C2H3Br2N2,2-dibromoaziridineN85BrC1(Br)CN1InChI=1S/C2H3Br2N/c3-2(4)1-5-2/h5H,1H2InChIKey=UCTWYXALXBFNCR-UHFFFAOYSA-N180.2Ex 180.21(BP est) 20.08(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CN1 20.1PredN
BrC1C(Br)N110642200.861C2H3Br2N2,3-dibromoaziridineN85BrC1C(Br)N1InChI=1S/C2H3Br2N/c3-1-2(4)5-1/h1-2,5HInChIKey=VXKYDZAPRDPXHX-UHFFFAOYSA-N185.1Ex 185.13(BP est) 15.19(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)N1 15.2PredN
NC(F)(I)(C=C)10644200.983C3H5FIN1-fluoro-1-iodoprop-2-en-1-amineN116NC(F)(I)(C=C)InChI=1S/C3H5FIN/c1-2-3(4,5)6/h2H,1,6H2InChIKey=BCSZQXZTWZTLMV-UHFFFAOYSA-N151.1Ex 151.09(BP est) -16.23(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(C=C) -16.2PredN
NC(F)(C1)(C1I)10645200.983C3H5FIN1-fluoro-2-iodocyclopropan-1-amineN116NC(F)(C1)(C1I)InChI=1S/C3H5FIN/c4-3(6)1-2(3)5/h2H,1,6H2InChIKey=RYJKLIGSCABZOF-UHFFFAOYSA-N160.4Ex 160.40(BP est) 4.96(MP est) ----(BP exp) ----(MP exp) NC(F)(C1)(C1I) 5PredN
NC(F)(C(I)=C)10646200.983C3H5FIN1-fluoro-2-iodoprop-2-en-1-amineN116NC(F)(C(I)=C)InChI=1S/C3H5FIN/c1-2(5)3(4)6/h3H,1,6H2InChIKey=XMVXFMSZSSWFEB-UHFFFAOYSA-N153.8Ex 153.80(BP est) -31.13(MP est) ----(BP exp) ----(MP exp) NC(F)(C(I)=C) -31.1PredN
NC(F)(C=CI)10647200.983C3H5FIN1-fluoro-3-iodoprop-2-en-1-amineN116NC(F)(C=CI)InChI=1S/C3H5FIN/c4-3(6)1-2-5/h1-3H,6H2InChIKey=SZLHALIFQJDEGJ-UHFFFAOYSA-N168.0Ex 167.97(BP est) -21.67(MP est) ----(BP exp) ----(MP exp) NC(F)(C=CI) -21.7PredN
FC(I)C1CN110648200.983C3H5FIN2-(fluoroiodomethyl)aziridineN116FC(I)C1CN1InChI=1S/C3H5FIN/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=VRZOSYYDWYCKNJ-UHFFFAOYSA-N164.2Ex 164.19(BP est) -0.38(MP est) ----(BP exp) ----(MP exp) FC(I)C1CN1 -0.4PredN
IC1(CF)CN110649200.983C3H5FIN2-(fluoromethyl)-2-iodoaziridineN116IC1(CF)CN1InChI=1S/C3H5FIN/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=RRLLHKLTGSPCMM-UHFFFAOYSA-N165.8Ex 165.80(BP est) 19.54(MP est) ----(BP exp) ----(MP exp) IC1(CF)CN1 19.5PredN
IC1C(CF)N110650200.983C3H5FIN2-(fluoromethyl)-3-iodoaziridineN116IC1C(CF)N1InChI=1S/C3H5FIN/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=LSECQSFWQFGKGH-UHFFFAOYSA-N170.9Ex 170.87(BP est) 6.95(MP est) ----(BP exp) ----(MP exp) IC1C(CF)N1 7PredN
NC(I)(C1)(C1F)10651200.983C3H5FIN2-fluoro-1-iodocyclopropan-1-amineN116NC(I)(C1)(C1F)InChI=1S/C3H5FIN/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=NJTNWZKNDJTEDQ-UHFFFAOYSA-N160.4Ex 160.40(BP est) 4.96(MP est) ----(BP exp) ----(MP exp) NC(I)(C1)(C1F) 5PredN
NC(I)(C(F)=C)10652200.983C3H5FIN2-fluoro-1-iodoprop-2-en-1-amineN116NC(I)(C(F)=C)InChI=1S/C3H5FIN/c1-2(4)3(5)6/h3H,1,6H2InChIKey=ZJOCELOGQZLXRZ-UHFFFAOYSA-N153.8Ex 153.80(BP est) -31.13(MP est) ----(BP exp) ----(MP exp) NC(I)(C(F)=C) -31.1PredN
FC1(CI)CN110653200.983C3H5FIN2-fluoro-2-(iodomethyl)aziridineN116FC1(CI)CN1InChI=1S/C3H5FIN/c4-3(1-5)2-6-3/h6H,1-2H2InChIKey=QJDDQKGSZJLEHQ-UHFFFAOYSA-N165.8Ex 165.80(BP est) 19.54(MP est) ----(BP exp) ----(MP exp) FC1(CI)CN1 19.5PredN
FC1(I)C(C)N110654200.983C3H5FIN2-fluoro-2-iodo-3-methylaziridineN116FC1(I)C(C)N1InChI=1S/C3H5FIN/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=LETRPUBQFPEUIG-UHFFFAOYSA-N159.6Ex 159.56(BP est) 15.60(MP est) ----(BP exp) ----(MP exp) FC1(I)C(C)N1 15.6PredN
FC1(I)NCC110655200.983C3H5FIN2-fluoro-2-iodoazetidineN116FC1(I)NCC1InChI=1S/C3H5FIN/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=CQGQHGHAIKGXGH-UHFFFAOYSA-N167.8Ex 167.76(BP est) 18.35(MP est) ----(BP exp) ----(MP exp) FC1(I)NCC1 18.4PredN
NC(C1)(C1(F)I)10656200.983C3H5FIN2-fluoro-2-iodocyclopropan-1-amineN116NC(C1)(C1(F)I)InChI=1S/C3H5FIN/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=CBOVUXDOAOUDNR-UHFFFAOYSA-N160.4Ex 160.40(BP est) 4.96(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(F)I) 5PredN
FC1C(CI)N110657200.983C3H5FIN2-fluoro-3-(iodomethyl)aziridineN116FC1C(CI)N1InChI=1S/C3H5FIN/c4-3-2(1-5)6-3/h2-3,6H,1H2InChIKey=JCLKXDRPDNRHQC-UHFFFAOYSA-N170.9Ex 170.87(BP est) 6.95(MP est) ----(BP exp) ----(MP exp) FC1C(CI)N1 7PredN
IC1C(F)(C)N110658200.983C3H5FIN2-fluoro-3-iodo-2-methylaziridineN116IC1C(F)(C)N1InChI=1S/C3H5FIN/c1-3(4)2(5)6-3/h2,6H,1H3InChIKey=GQYUTWKEAMTSRU-UHFFFAOYSA-N159.6Ex 159.56(BP est) 15.60(MP est) ----(BP exp) ----(MP exp) IC1C(F)(C)N1 15.6PredN
FC1NCC1I10659200.983C3H5FIN2-fluoro-3-iodoazetidineN116FC1NCC1IInChI=1S/C3H5FIN/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=AZPXLMTWGOGQJU-UHFFFAOYSA-N172.8Ex 172.81(BP est) 5.76(MP est) ----(BP exp) ----(MP exp) FC1NCC1I 5.8PredN
NC(C1I)(C1F)10660200.983C3H5FIN2-fluoro-3-iodocyclopropan-1-amineN116NC(C1I)(C1F)InChI=1S/C3H5FIN/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=GPXYONHJCLRGOS-UHFFFAOYSA-N165.5Ex 165.52(BP est) -7.62(MP est) ----(BP exp) ----(MP exp) NC(C1I)(C1F) -7.6PredN
NC(C(F)=CI)10661200.983C3H5FIN2-fluoro-3-iodoprop-2-en-1-amineN116NC(C(F)=CI)InChI=1S/C3H5FIN/c4-3(1-5)2-6/h1H,2,6H2InChIKey=LXAFYCPJCOTZOS-UHFFFAOYSA-N175.0Ex 174.96(BP est) -19.11(MP est) ----(BP exp) ----(MP exp) NC(C(F)=CI) -19.1PredN
IC1CC(F)N110662200.983C3H5FIN2-fluoro-4-iodoazetidineN116IC1CC(F)N1InChI=1S/C3H5FIN/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=HCOYPPCBLQHHDS-UHFFFAOYSA-N172.8Ex 172.81(BP est) 5.76(MP est) ----(BP exp) ----(MP exp) IC1CC(F)N1 5.8PredN
NC(I)(C=CF)10663200.983C3H5FIN3-fluoro-1-iodoprop-2-en-1-amineN116NC(I)(C=CF)InChI=1S/C3H5FIN/c4-2-1-3(5)6/h1-3H,6H2InChIKey=BYTFHPSVGYBGAD-UHFFFAOYSA-N168.0Ex 167.97(BP est) -21.67(MP est) ----(BP exp) ----(MP exp) NC(I)(C=CF) -21.7PredN
FC1C(I)(C)N110664200.983C3H5FIN3-fluoro-2-iodo-2-methylaziridineN116FC1C(I)(C)N1InChI=1S/C3H5FIN/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=LBDQEWQEMFLSTL-UHFFFAOYSA-N159.6Ex 159.56(BP est) 15.60(MP est) ----(BP exp) ----(MP exp) FC1C(I)(C)N1 15.6PredN
IC1NCC1F10665200.983C3H5FIN3-fluoro-2-iodoazetidineN116IC1NCC1FInChI=1S/C3H5FIN/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=AFWDMXQFQIKXAE-UHFFFAOYSA-N172.8Ex 172.81(BP est) 5.76(MP est) ----(BP exp) ----(MP exp) IC1NCC1F 5.8PredN
NC(C(I)=CF)10666200.983C3H5FIN3-fluoro-2-iodoprop-2-en-1-amineN116NC(C(I)=CF)InChI=1S/C3H5FIN/c4-1-3(5)2-6/h1H,2,6H2InChIKey=QMECENYUCMLTPV-UHFFFAOYSA-N175.0Ex 174.96(BP est) -19.11(MP est) ----(BP exp) ----(MP exp) NC(C(I)=CF) -19.1PredN
FC1(I)CNC110667200.983C3H5FIN3-fluoro-3-iodoazetidineN116FC1(I)CNC1InChI=1S/C3H5FIN/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=WFLDSRNDTSTDPL-UHFFFAOYSA-N167.8Ex 167.76(BP est) 18.35(MP est) ----(BP exp) ----(MP exp) FC1(I)CNC1 18.4PredN
NC(C=C(F)I)10668200.983C3H5FIN3-fluoro-3-iodoprop-2-en-1-amineN116NC(C=C(F)I)InChI=1S/C3H5FIN/c4-3(5)1-2-6/h1H,2,6H2InChIKey=ATTTWDJGFFLVPV-UHFFFAOYSA-N175.0Ex 174.96(BP est) -19.11(MP est) ----(BP exp) ----(MP exp) NC(C=C(F)I) -19.1PredN
NCOC(I)(C)10669201.007C3H8INO(1-iodoethoxy)methanamineN146NCOC(I)(C)InChI=1S/C3H8INO/c1-3(4)6-2-5/h3H,2,5H2,1H3InChIKey=ZIDDKGWPZXENTI-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NCOC(I)(C) -4.4PredN
NCOC(CI)10670201.007C3H8INO(2-iodoethoxy)methanamineN146NCOC(CI)InChI=1S/C3H8INO/c4-1-2-6-3-5/h1-3,5H2InChIKey=PJJGOFYECIFJHP-UHFFFAOYSA-N193.6Ex 193.62(BP est) 6.68(MP est) ----(BP exp) ----(MP exp) NCOC(CI) 6.7PredN
NC(C)OC(I)10671201.007C3H8INO1-(iodomethoxy)ethan-1-amineN146NC(C)OC(I)InChI=1S/C3H8INO/c1-3(5)6-2-4/h3H,2,5H2,1H3InChIKey=MNHVUWWQTATKMT-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NC(C)OC(I) -4.4PredN
CNCOC(I)10672201.007C3H8INO1-(iodomethoxy)-N-methylmethanamineN146CNCOC(I)InChI=1S/C3H8INO/c1-5-3-6-2-4/h5H,2-3H2,1H3InChIKey=LEXZPBSYRFBBNO-UHFFFAOYSA-N177.6Ex 177.55(BP est) -13.31(MP est) ----(BP exp) ----(MP exp) CNCOC(I) -13.3PredN
NC(I)(C)OC10673201.007C3H8INO1-iodo-1-methoxyethan-1-amineN146NC(I)(C)OCInChI=1S/C3H8INO/c1-3(4,5)6-2/h5H2,1-2H3InChIKey=FTIKMKSKXYIOTC-UHFFFAOYSA-N173.0Ex 172.99(BP est) 1.86(MP est) ----(BP exp) ----(MP exp) NC(I)(C)OC 1.9PredN
CNC(I)OC10674201.007C3H8INO1-iodo-1-methoxy-N-methylmethanamineN146CNC(I)OCInChI=1S/C3H8INO/c1-5-3(4)6-2/h3,5H,1-2H3InChIKey=OSAZXBYGVQVKPF-UHFFFAOYSA-N164.8Ex 164.79(BP est) -24.54(MP est) ----(BP exp) ----(MP exp) CNC(I)OC -24.5PredN
NC(I)COC10675201.007C3H8INO1-iodo-2-methoxyethan-1-amineN146NC(I)COCInChI=1S/C3H8INO/c1-6-2-3(4)5/h3H,2,5H2,1H3InChIKey=NVGGATHDULOZBD-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NC(I)COC -4.4PredN
C(I)NCOC10676201.007C3H8INO1-iodo-N-(methoxymethyl)methanamineN146C(I)NCOCInChI=1S/C3H8INO/c1-6-3-5-2-4/h5H,2-3H2,1H3InChIKey=FASYTKLYKDKNFE-UHFFFAOYSA-N177.6Ex 177.55(BP est) -13.31(MP est) ----(BP exp) ----(MP exp) C(I)NCOC -13.3PredN
NCCOC(I)10677201.007C3H8INO2-(iodomethoxy)ethan-1-amineN146NCCOC(I)InChI=1S/C3H8INO/c4-3-6-2-1-5/h1-3,5H2InChIKey=ZOZXJRPDYGVTDY-UHFFFAOYSA-N193.6Ex 193.62(BP est) 6.68(MP est) ----(BP exp) ----(MP exp) NCCOC(I) 6.7PredN
NC(CI)OC10678201.007C3H8INO2-iodo-1-methoxyethan-1-amineN146NC(CI)OCInChI=1S/C3H8INO/c1-6-3(5)2-4/h3H,2,5H2,1H3InChIKey=ZDCUHARAZZLVDM-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NC(CI)OC -4.4PredN
NCC(I)OC10679201.007C3H8INO2-iodo-2-methoxyethan-1-amineN146NCC(I)OCInChI=1S/C3H8INO/c1-6-3(4)2-5/h3H,2,5H2,1H3InChIKey=JYHDNLXFFDQXLX-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NCC(I)OC -4.4PredN
NC(I)OC(C)10680201.007C3H8INOethoxyiodomethanamineN146NC(I)OC(C)InChI=1S/C3H8INO/c1-2-6-3(4)5/h3H,2,5H2,1H3InChIKey=OEJJFQZFJLCFJT-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NC(I)OC(C) -4.4PredN
CN(O)C(C)I10681201.007C3H8INON-(1-iodoethyl)-N-methylhydroxylamineN146CN(O)C(C)IInChI=1S/C3H8INO/c1-3(4)5(2)6/h3,6H,1-2H3InChIKey=YSAULYDHXJLPOK-UHFFFAOYSA-N274.1Ex 274.14(BP est) 39.67(MP est) ----(BP exp) ----(MP exp) CN(O)C(C)I 39.7PredN
IC(C)NOC10682201.007C3H8INON-(1-iodoethyl)-O-methylhydroxylamineN146IC(C)NOCInChI=1S/C3H8INO/c1-3(4)5-6-2/h3,5H,1-2H3InChIKey=RHSHZCBEGGFNEJ-UHFFFAOYSA-N164.8Ex 164.79(BP est) -24.54(MP est) ----(BP exp) ----(MP exp) IC(C)NOC -24.5PredN
IC(CC)NO10683201.007C3H8INON-(1-iodopropyl)hydroxylamineN146IC(CC)NOInChI=1S/C3H8INO/c1-2-3(4)5-6/h3,5-6H,2H2,1H3InChIKey=GZMITAPWBIFHRX-UHFFFAOYSA-N233.3Ex 233.25(BP est) 14.74(MP est) ----(BP exp) ----(MP exp) IC(CC)NO 14.7PredN
ICCN(O)C10684201.007C3H8INON-(2-iodoethyl)-N-methylhydroxylamineN146ICCN(O)CInChI=1S/C3H8INO/c1-5(6)3-2-4/h6H,2-3H2,1H3InChIKey=KXZLDQYWDZGMHF-UHFFFAOYSA-N283.7Ex 283.74(BP est) 49.97(MP est) ----(BP exp) ----(MP exp) ICCN(O)C 50PredN
ICCNOC10685201.007C3H8INON-(2-iodoethyl)-O-methylhydroxylamineN146ICCNOCInChI=1S/C3H8INO/c1-6-5-3-2-4/h5H,2-3H2,1H3InChIKey=IEWFRDCYIHYKOS-UHFFFAOYSA-N177.6Ex 177.55(BP est) -13.31(MP est) ----(BP exp) ----(MP exp) ICCNOC -13.3PredN
IC(C)CNO10686201.007C3H8INON-(2-iodopropyl)hydroxylamineN146IC(C)CNOInChI=1S/C3H8INO/c1-3(4)2-5-6/h3,5-6H,2H2,1H3InChIKey=NZVCCNRUKFROBO-UHFFFAOYSA-N233.3Ex 233.25(BP est) 14.74(MP est) ----(BP exp) ----(MP exp) IC(C)CNO 14.7PredN
CN(OC)CI10687201.007C3H8INON-(iodomethyl)-N,O-dimethylhydroxylamineN146CN(OC)CIInChI=1S/C3H8INO/c1-5(3-4)6-2/h3H2,1-2H3InChIKey=BKEYEDJLVAHHJK-UHFFFAOYSA-N158.4Ex 158.42(BP est) -28.99(MP est) ----(BP exp) ----(MP exp) CN(OC)CI -29PredN
ICN(O)CC10688201.007C3H8INON-ethyl-N-(iodomethyl)hydroxylamineN146ICN(O)CCInChI=1S/C3H8INO/c1-2-5(6)3-4/h6H,2-3H2,1H3InChIKey=NBMASIBCFJRYRR-UHFFFAOYSA-N283.7Ex 283.74(BP est) 49.97(MP est) ----(BP exp) ----(MP exp) ICN(O)CC 50PredN
CCNOCI10689201.007C3H8INON-ethyl-O-(iodomethyl)hydroxylamineN146CCNOCIInChI=1S/C3H8INO/c1-2-5-6-3-4/h5H,2-3H2,1H3InChIKey=BAUPSJRWHFKGJV-UHFFFAOYSA-N177.6Ex 177.55(BP est) -13.31(MP est) ----(BP exp) ----(MP exp) CCNOCI -13.3PredN
CNOC(C)I10690201.007C3H8INOO-(1-iodoethyl)-N-methylhydroxylamineN146CNOC(C)IInChI=1S/C3H8INO/c1-3(4)6-5-2/h3,5H,1-2H3InChIKey=OFIKJDOZXKYOMI-UHFFFAOYSA-N164.8Ex 164.79(BP est) -24.54(MP est) ----(BP exp) ----(MP exp) CNOC(C)I -24.5PredN
NOC(CC)I10691201.007C3H8INOO-(1-iodopropyl)hydroxylamineN146NOC(CC)IInChI=1S/C3H8INO/c1-2-3(4)6-5/h3H,2,5H2,1H3InChIKey=ASFFZWACDMPQKO-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NOC(CC)I -4.4PredN
CNOCCI10692201.007C3H8INOO-(2-iodoethyl)-N-methylhydroxylamineN146CNOCCIInChI=1S/C3H8INO/c1-5-6-3-2-4/h5H,2-3H2,1H3InChIKey=AKTBPUPUORZGLY-UHFFFAOYSA-N177.6Ex 177.55(BP est) -13.31(MP est) ----(BP exp) ----(MP exp) CNOCCI -13.3PredN
NOCC(C)I10693201.007C3H8INOO-(2-iodopropyl)hydroxylamineN146NOCC(C)IInChI=1S/C3H8INO/c1-3(4)2-6-5/h3H,2,5H2,1H3InChIKey=BRNONDNUEULBQZ-UHFFFAOYSA-N181.3Ex 181.28(BP est) -4.43(MP est) ----(BP exp) ----(MP exp) NOCC(C)I -4.4PredN
NOCCCI10694201.007C3H8INOO-(3-iodopropyl)hydroxylamineN146NOCCCIInChI=1S/C3H8INO/c4-2-1-3-6-5/h1-3,5H2InChIKey=RIPHDEHGURGLQG-UHFFFAOYSA-N193.6Ex 193.62(BP est) 6.68(MP est) ----(BP exp) ----(MP exp) NOCCCI 6.7PredN
CN(OCI)C10695201.007C3H8INOO-(iodomethyl)-N,N-dimethylhydroxylamineN146CN(OCI)CInChI=1S/C3H8INO/c1-5(2)6-3-4/h3H2,1-2H3InChIKey=UBXYOUZWILPOII-UHFFFAOYSA-N158.4Ex 158.42(BP est) -28.99(MP est) ----(BP exp) ----(MP exp) CN(OCI)C -29PredN
ICNOCC10696201.007C3H8INOO-ethyl-N-(iodomethyl)hydroxylamineN146ICNOCCInChI=1S/C3H8INO/c1-2-6-5-3-4/h5H,2-3H2,1H3InChIKey=DDWHRRIKRCDNFT-UHFFFAOYSA-N177.6Ex 177.55(BP est) -13.31(MP est) ----(BP exp) ----(MP exp) ICNOCC -13.3PredN
ClC(N1)=C1I10697201.391C2HClIN2-chloro-3-iodo-1H-azirineN65ClC(N1)=C1IInChI=1S/C2HClIN/c3-1-2(4)5-1/h5HInChIKey=VKOCYAMEQHWQTR-UHFFFAOYSA-N190.4Ex 190.41(BP est) 18.17(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1I 18.2PredN
C(=O)C(Br)(Br)10701201.845C2H2Br2O2,2-dibromoacetaldehydeN75C(=O)C(Br)(Br)InChI=1S/C2H2Br2O/c3-2(4)1-5/h1-2HInChIKey=XIVPMNIFAAGBOY-UHFFFAOYSA-N173.5Ex 173.45(BP est) -13.32(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(Br) -13.3PredY(Kladi et al. 2004)
BrC1(Br)CO110702201.845C2H2Br2O2,2-dibromooxiraneN75BrC1(Br)CO1InChI=1S/C2H2Br2O/c3-2(4)1-5-2/h1H2InChIKey=QJVVDUMBIYGZRY-UHFFFAOYSA-N151.5Ex 151.48(BP est) 0.97(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CO1 1PredN
BrC1C(Br)O110703201.845C2H2Br2O2,3-dibromooxiraneN75BrC1C(Br)O1InChI=1S/C2H2Br2O/c3-1-2(4)5-1/h1-2HInChIKey=OOQFWMXWBHJVKI-UHFFFAOYSA-N156.7Ex 156.69(BP est) -11.58(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)O1 -11.6PredN
CCC(Br)Br10704201.889C3H6Br21,1-dibromopropaneN115CCC(Br)BrInChI=1S/C3H6Br2/c1-2-3(4)5/h3H,2H2,1H3InChIKey=ATWLRNODAYAMQS-UHFFFAOYSA-N133.5Ex 140.02(BP est) -38.45(MP est) 133.50(BP exp) ----(MP exp) CCC(Br)Br -38.5PredN
CC(CBr)Br10705201.889C3H6Br21,2-dibromopropaneN115CC(CBr)BrInChI=1S/C3H6Br2/c1-3(5)2-4/h3H,2H2,1H3InChIKey=XFNJYAKDBJUJAJ-UHFFFAOYSA-N141.4Ex 140.02(BP est) -38.45(MP est) 141.90(BP exp) -55.49(MP exp) CC(CBr)Br -55.5ExptY(Kladi et al. 2004)
C(Br)(CCBr)10706201.889C3H6Br21,3-dibromopropaneN115C(Br)(CCBr)InChI=1S/C3H6Br2/c4-2-1-3-5/h1-3H2InChIKey=VEFLKXRACNJHOV-UHFFFAOYSA-N166.8Ex 153.40(BP est) -27.04(MP est) 167.30(BP exp) -34.20(MP exp) C(Br)(CCBr) -34.2ExptN
CC(Br)(C)Br10707201.889C3H6Br22,2-dibromopropaneN115CC(Br)(C)BrInChI=1S/C3H6Br2/c1-3(2,4)5/h1-2H3InChIKey=ARITXYXYCOZKMU-UHFFFAOYSA-N115.1Ex 131.05(BP est) -32.36(MP est) 115.00(BP exp) ----(MP exp) CC(Br)(C)Br -32.4PredN
O=PC(I)C10708201.931C2H4IOP(1-iodoethyl)(oxo)phosphaneN95O=PC(I)CInChI=1S/C2H4IOP/c1-2(3)5-4/h2H,1H3InChIKey=DDRRWKBPNPSYSF-UHFFFAOYSA-N177.7Ex 177.73(BP est) -30.66(MP est) ----(BP exp) ----(MP exp) O=PC(I)C -30.7PredN
O=PCCI10709201.931C2H4IOP(2-iodoethyl)(oxo)phosphaneN95O=PCCIInChI=1S/C2H4IOP/c3-1-2-5-4/h1-2H2InChIKey=QNSFOVKLXSKPEO-UHFFFAOYSA-N190.2Ex 190.17(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) O=PCCI -19.5PredN
O=P1C(I)C110711201.931C2H4IOP2-iodophosphirane 1-oxideN95O=P1C(I)C1InChI=1S/C2H4IOP/c3-2-1-5(2)4/h2,5H,1H2InChIKey=BESRUJYXBXAAMZ-UHFFFAOYSA-N189.9Ex 189.88(BP est) -17.07(MP est) ----(BP exp) ----(MP exp) O=P1C(I)C1 -17.1PredN
FC(C1I)=C1F10714201.942C3HF2I1,2-difluoro-3-iodocycloprop-1-eneN76FC(C1I)=C1FInChI=1S/C3HF2I/c4-1-2(5)3(1)6/h3HInChIKey=SYTRDBOVFBPRHL-UHFFFAOYSA-N120.5Ex 120.54(BP est) -44.95(MP est) ----(BP exp) ----(MP exp) FC(C1I)=C1F -45PredN
IC(C1F)=C1F10715201.942C3HF2I1,3-difluoro-2-iodocycloprop-1-eneN76IC(C1F)=C1FInChI=1S/C3HF2I/c4-1-2(5)3(1)6/h1HInChIKey=GMKJSTJWGKKMRW-UHFFFAOYSA-N120.5Ex 120.54(BP est) -44.95(MP est) ----(BP exp) ----(MP exp) IC(C1F)=C1F -45PredN
FC1=CC1(I)F10716201.942C3HF2I1,3-difluoro-3-iodocycloprop-1-eneN76FC1=CC1(I)FInChI=1S/C3HF2I/c4-2-1-3(2,5)6/h1HInChIKey=NZTLQAMAKVSZNR-UHFFFAOYSA-N110.2Ex 110.18(BP est) -42.28(MP est) ----(BP exp) ----(MP exp) FC1=CC1(I)F -42.3PredN
C(F)(I)(C#CF)10717201.942C3HF2I1,3-difluoro-3-iodoprop-1-yneN76C(F)(I)(C#CF)InChI=1S/C3HF2I/c4-2-1-3(5)6/h3HInChIKey=NTJXEBJLSZTUCV-UHFFFAOYSA-N120.4Ex 120.35(BP est) -21.32(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C#CF) -21.3PredN
IC1=CC1(F)F10718201.942C3HF2I3,3-difluoro-1-iodocycloprop-1-eneN76IC1=CC1(F)FInChI=1S/C3HF2I/c4-3(5)1-2(3)6/h1HInChIKey=CAUUHGBPEAJOEW-UHFFFAOYSA-N110.2Ex 110.18(BP est) -42.28(MP est) ----(BP exp) ----(MP exp) IC1=CC1(F)F -42.3PredN
C(F)(F)(C#CI)10719201.942C3HF2I3,3-difluoro-1-iodoprop-1-yneN76C(F)(F)(C#CI)InChI=1S/C3HF2I/c4-3(5)1-2-6/h3HInChIKey=FWVBUHPRPSGBMB-UHFFFAOYSA-N120.4Ex 120.35(BP est) -21.32(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C#CI) -21.3PredN
C(F)(F)(I)(C#C)10720201.942C3HF2I3,3-difluoro-3-iodoprop-1-yneN76C(F)(F)(I)(C#C)InChI=1S/C3HF2I/c1-2-3(4,5)6/h1HInChIKey=KAIYHDMVGQBCQM-UHFFFAOYSA-N102.2Ex 102.19(BP est) -47.48(MP est) ----(BP exp) ----(MP exp) C(F)(F)(I)(C#C) -47.5PredN
C(F)(I)OC=C10721201.967C3H4FIO(fluoroiodomethoxy)etheneN106C(F)(I)OC=CInChI=1S/C3H4FIO/c1-2-6-3(4)5/h2-3H,1H2InChIKey=GGFYRQOBORCYJM-UHFFFAOYSA-N123.6Ex 123.64(BP est) -63.47(MP est) ----(BP exp) ----(MP exp) C(F)(I)OC=C -63.5PredN
C(F)OC(I)=C10722201.967C3H4FIO1-(fluoromethoxy)-1-iodoetheneN106C(F)OC(I)=CInChI=1S/C3H4FIO/c1-3(5)6-2-4/h1-2H2InChIKey=ZPPHELJJVUWVCR-UHFFFAOYSA-N131.2Ex 131.22(BP est) -60.74(MP est) ----(BP exp) ----(MP exp) C(F)OC(I)=C -60.7PredN
C(F)OC=C(I)10723201.967C3H4FIO1-(fluoromethoxy)-2-iodoetheneN106C(F)OC=C(I)InChI=1S/C3H4FIO/c4-3-6-2-1-5/h1-2H,3H2InChIKey=KJUHNPQCZGGXDU-UHFFFAOYSA-N146.0Ex 145.98(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C(F)OC=C(I) -51.1PredN
C(I)OC(F)=C10724201.967C3H4FIO1-fluoro-1-(iodomethoxy)etheneN106C(I)OC(F)=CInChI=1S/C3H4FIO/c1-3(4)6-2-5/h1-2H2InChIKey=GYJKXCHFVNASGD-UHFFFAOYSA-N131.2Ex 131.22(BP est) -60.74(MP est) ----(BP exp) ----(MP exp) C(I)OC(F)=C -60.7PredN
COC=C(F)(I)10725201.967C3H4FIO1-fluoro-1-iodo-2-methoxyetheneN106COC=C(F)(I)InChI=1S/C3H4FIO/c1-6-2-3(4)5/h2H,1H3InChIKey=YUHQVWBMAABRPL-UHFFFAOYSA-N139.9Ex 139.88(BP est) -59.87(MP est) ----(BP exp) ----(MP exp) COC=C(F)(I) -59.9PredN
OC(F)(I)(C=C)10726201.967C3H4FIO1-fluoro-1-iodoprop-2-en-1-olN106OC(F)(I)(C=C)InChI=1S/C3H4FIO/c1-2-3(4,5)6/h2,6H,1H2InChIKey=GIFCOKWTMSDJSD-UHFFFAOYSA-N157.7Ex 157.72(BP est) -25.51(MP est) ----(BP exp) ----(MP exp) OC(F)(I)(C=C) -25.5PredN
CC(=O)C(F)(I)10727201.967C3H4FIO1-fluoro-1-iodopropan-2-oneN106CC(=O)C(F)(I)InChI=1S/C3H4FIO/c1-2(6)3(4)5/h3H,1H3InChIKey=MRMYRWGKDVNDPS-UHFFFAOYSA-N146.1Ex 146.07(BP est) -42.19(MP est) ----(BP exp) ----(MP exp) CC(=O)C(F)(I) -42.2PredN
C(I)OC=C(F)10728201.967C3H4FIO1-fluoro-2-(iodomethoxy)etheneN106C(I)OC=C(F)InChI=1S/C3H4FIO/c4-1-2-6-3-5/h1-2H,3H2InChIKey=VTIZEIHJKVKEOD-UHFFFAOYSA-N146.0Ex 145.98(BP est) -51.11(MP est) ----(BP exp) ----(MP exp) C(I)OC=C(F) -51.1PredN
COC(F)=C(I)10729201.967C3H4FIO1-fluoro-2-iodo-1-methoxyetheneN106COC(F)=C(I)InChI=1S/C3H4FIO/c1-6-3(4)2-5/h2H,1H3InChIKey=ZCKGVUUIQDDLJR-UHFFFAOYSA-N139.9Ex 139.88(BP est) -59.87(MP est) ----(BP exp) ----(MP exp) COC(F)=C(I) -59.9PredN
OC(F)(C1)(C1I)10730201.967C3H4FIO1-fluoro-2-iodocyclopropan-1-olN106OC(F)(C1)(C1I)InChI=1S/C3H4FIO/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=UQWWXDKLEMATEB-UHFFFAOYSA-N166.9Ex 166.92(BP est) -4.36(MP est) ----(BP exp) ----(MP exp) OC(F)(C1)(C1I) -4.4PredN
OC(F)(C(I)=C)10731201.967C3H4FIO1-fluoro-2-iodoprop-2-en-1-olN106OC(F)(C(I)=C)InChI=1S/C3H4FIO/c1-2(5)3(4)6/h3,6H,1H2InChIKey=CEJSOBCCCZIWCP-UHFFFAOYSA-N170.4Ex 170.40(BP est) -37.50(MP est) ----(BP exp) ----(MP exp) OC(F)(C(I)=C) -37.5PredN
OC(F)(C=CI)10732201.967C3H4FIO1-fluoro-3-iodoprop-2-en-1-olN106OC(F)(C=CI)InChI=1S/C3H4FIO/c4-3(6)1-2-5/h1-3,6HInChIKey=VVLWFAFTFRIUDQ-UHFFFAOYSA-N184.1Ex 184.12(BP est) -28.18(MP est) ----(BP exp) ----(MP exp) OC(F)(C=CI) -28.2PredN
C(I)C(=O)C(F)10733201.967C3H4FIO1-fluoro-3-iodopropan-2-oneN106C(I)C(=O)C(F)InChI=1S/C3H4FIO/c4-1-3(6)2-5/h1-2H2InChIKey=BQLHSJDCLOEPGE-UHFFFAOYSA-N159.3Ex 159.30(BP est) -30.83(MP est) ----(BP exp) ----(MP exp) C(I)C(=O)C(F) -30.8PredN
FC(I)C1CO110734201.967C3H4FIO2-(fluoroiodomethyl)oxiraneN106FC(I)C1CO1InChI=1S/C3H4FIO/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=WVDCZXFEUUFZQS-UHFFFAOYSA-N134.5Ex 134.54(BP est) -48.27(MP est) ----(BP exp) ----(MP exp) FC(I)C1CO1 -48.3PredN
IC1(CF)CO110735201.967C3H4FIO2-(fluoromethyl)-2-iodooxiraneN106IC1(CF)CO1InChI=1S/C3H4FIO/c4-1-3(5)2-6-3/h1-2H2InChIKey=PSQMXRLLRAPSOI-UHFFFAOYSA-N136.2Ex 136.24(BP est) -28.32(MP est) ----(BP exp) ----(MP exp) IC1(CF)CO1 -28.3PredN
IC1C(CF)O110736201.967C3H4FIO2-(fluoromethyl)-3-iodooxiraneN106IC1C(CF)O1InChI=1S/C3H4FIO/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=VBNALWRPQINTNA-UHFFFAOYSA-N141.6Ex 141.60(BP est) -40.83(MP est) ----(BP exp) ----(MP exp) IC1C(CF)O1 -40.8PredN
COC(I)=C(F)10737201.967C3H4FIO2-fluoro-1-iodo-1-methoxyetheneN106COC(I)=C(F)InChI=1S/C3H4FIO/c1-6-3(5)2-4/h2H,1H3InChIKey=HJBLUFKVDWVSKY-UHFFFAOYSA-N139.9Ex 139.88(BP est) -59.87(MP est) ----(BP exp) ----(MP exp) COC(I)=C(F) -59.9PredN
OC(I)(C1)(C1F)10738201.967C3H4FIO2-fluoro-1-iodocyclopropan-1-olN106OC(I)(C1)(C1F)InChI=1S/C3H4FIO/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=HZNHRCQUJAUSGS-UHFFFAOYSA-N166.9Ex 166.92(BP est) -4.36(MP est) ----(BP exp) ----(MP exp) OC(I)(C1)(C1F) -4.4PredN
OC(I)(C(F)=C)10739201.967C3H4FIO2-fluoro-1-iodoprop-2-en-1-olN106OC(I)(C(F)=C)InChI=1S/C3H4FIO/c1-2(4)3(5)6/h3,6H,1H2InChIKey=ZRAQKICYYSYRSV-UHFFFAOYSA-N170.4Ex 170.40(BP est) -37.50(MP est) ----(BP exp) ----(MP exp) OC(I)(C(F)=C) -37.5PredN
FC1(CI)CO110740201.967C3H4FIO2-fluoro-2-(iodomethyl)oxiraneN106FC1(CI)CO1InChI=1S/C3H4FIO/c4-3(1-5)2-6-3/h1-2H2InChIKey=ATBNITSHJKBBTL-UHFFFAOYSA-N136.2Ex 136.24(BP est) -28.32(MP est) ----(BP exp) ----(MP exp) FC1(CI)CO1 -28.3PredN
FC1(I)C(C)O110741201.967C3H4FIO2-fluoro-2-iodo-3-methyloxiraneN106FC1(I)C(C)O1InChI=1S/C3H4FIO/c1-2-3(4,5)6-2/h2H,1H3InChIKey=CMZPGHXICZPNSA-UHFFFAOYSA-N129.7Ex 129.65(BP est) -32.36(MP est) ----(BP exp) ----(MP exp) FC1(I)C(C)O1 -32.4PredN
OC(C1)(C1(F)I)10742201.967C3H4FIO2-fluoro-2-iodocyclopropan-1-olN106OC(C1)(C1(F)I)InChI=1S/C3H4FIO/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=KKQLJZZRWQWHFY-UHFFFAOYSA-N176.8Ex 176.79(BP est) -1.48(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1(F)I) -1.5PredN
FC1(I)OCC110743201.967C3H4FIO2-fluoro-2-iodooxetaneN106FC1(I)OCC1InChI=1S/C3H4FIO/c4-3(5)1-2-6-3/h1-2H2InChIKey=QVNFKVHQIJQTRA-UHFFFAOYSA-N138.3Ex 138.31(BP est) -29.48(MP est) ----(BP exp) ----(MP exp) FC1(I)OCC1 -29.5PredN
C(=O)C(F)(I)(C)10744201.967C3H4FIO2-fluoro-2-iodopropanalN106C(=O)C(F)(I)(C)InChI=1S/C3H4FIO/c1-3(4,5)2-6/h2H,1H3InChIKey=NTAMNQHZOWUZAR-UHFFFAOYSA-N150.2Ex 150.17(BP est) -36.25(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(I)(C) -36.3PredN
FC1C(CI)O110745201.967C3H4FIO2-fluoro-3-(iodomethyl)oxiraneN106FC1C(CI)O1InChI=1S/C3H4FIO/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=XELYQCICKKZKHH-UHFFFAOYSA-N141.6Ex 141.60(BP est) -40.83(MP est) ----(BP exp) ----(MP exp) FC1C(CI)O1 -40.8PredN
IC1C(F)(C)O110746201.967C3H4FIO2-fluoro-3-iodo-2-methyloxiraneN106IC1C(F)(C)O1InChI=1S/C3H4FIO/c1-3(4)2(5)6-3/h2H,1H3InChIKey=YJBFOAPCQJJCNI-UHFFFAOYSA-N129.7Ex 129.65(BP est) -32.36(MP est) ----(BP exp) ----(MP exp) IC1C(F)(C)O1 -32.4PredN
OC(C1I)(C1F)10747201.967C3H4FIO2-fluoro-3-iodocyclopropan-1-olN106OC(C1I)(C1F)InChI=1S/C3H4FIO/c4-1-2(5)3(1)6/h1-3,6HInChIKey=IWYQBQQBEWTQAR-UHFFFAOYSA-N181.8Ex 181.75(BP est) -14.10(MP est) ----(BP exp) ----(MP exp) OC(C1I)(C1F) -14.1PredN
FC1OCC1I10748201.967C3H4FIO2-fluoro-3-iodooxetaneN106FC1OCC1IInChI=1S/C3H4FIO/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=XFICJECUMKDMBK-UHFFFAOYSA-N143.7Ex 143.65(BP est) -41.99(MP est) ----(BP exp) ----(MP exp) FC1OCC1I -42PredN
OC(C(F)=CI)10749201.967C3H4FIO2-fluoro-3-iodoprop-2-en-1-olN106OC(C(F)=CI)InChI=1S/C3H4FIO/c4-3(1-5)2-6/h1,6H,2H2InChIKey=VKVNOYJHIKPWLB-UHFFFAOYSA-N197.4Ex 197.39(BP est) -23.78(MP est) ----(BP exp) ----(MP exp) OC(C(F)=CI) -23.8PredN
C(=O)C(F)(CI)10750201.967C3H4FIO2-fluoro-3-iodopropanalN106C(=O)C(F)(CI)InChI=1S/C3H4FIO/c4-3(1-5)2-6/h2-3H,1H2InChIKey=KDCOFOSCDKMVKD-UHFFFAOYSA-N158.8Ex 158.84(BP est) -42.43(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(CI) -42.4PredN
IC1CC(F)O110751201.967C3H4FIO2-fluoro-4-iodooxetaneN106IC1CC(F)O1InChI=1S/C3H4FIO/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=OMSUPSNPXNQFCV-UHFFFAOYSA-N143.7Ex 143.65(BP est) -41.99(MP est) ----(BP exp) ----(MP exp) IC1CC(F)O1 -42PredN
OC(I)(C=CF)10752201.967C3H4FIO3-fluoro-1-iodoprop-2-en-1-olN106OC(I)(C=CF)InChI=1S/C3H4FIO/c4-2-1-3(5)6/h1-3,6HInChIKey=ZVGDQIKKMAHUGY-UHFFFAOYSA-N184.1Ex 184.12(BP est) -28.18(MP est) ----(BP exp) ----(MP exp) OC(I)(C=CF) -28.2PredN
FC1C(I)(C)O110753201.967C3H4FIO3-fluoro-2-iodo-2-methyloxiraneN106FC1C(I)(C)O1InChI=1S/C3H4FIO/c1-3(5)2(4)6-3/h2H,1H3InChIKey=NCOWBPZKLVHAQI-UHFFFAOYSA-N129.7Ex 129.65(BP est) -32.36(MP est) ----(BP exp) ----(MP exp) FC1C(I)(C)O1 -32.4PredN
IC1OCC1F10754201.967C3H4FIO3-fluoro-2-iodooxetaneN106IC1OCC1FInChI=1S/C3H4FIO/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=SFMSQJNDSDULLJ-UHFFFAOYSA-N143.7Ex 143.65(BP est) -41.99(MP est) ----(BP exp) ----(MP exp) IC1OCC1F -42PredN
OC(C(I)=CF)10755201.967C3H4FIO3-fluoro-2-iodoprop-2-en-1-olN106OC(C(I)=CF)InChI=1S/C3H4FIO/c4-1-3(5)2-6/h1,6H,2H2InChIKey=IMKAIGAAUYTJKD-UHFFFAOYSA-N197.4Ex 197.39(BP est) -23.78(MP est) ----(BP exp) ----(MP exp) OC(C(I)=CF) -23.8PredN
C(=O)C(I)(CF)10756201.967C3H4FIO3-fluoro-2-iodopropanalN106C(=O)C(I)(CF)InChI=1S/C3H4FIO/c4-1-3(5)2-6/h2-3H,1H2InChIKey=IHEZITFYLRZKJB-UHFFFAOYSA-N158.8Ex 158.84(BP est) -42.43(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(CF) -42.4PredN
FC1(I)COC110757201.967C3H4FIO3-fluoro-3-iodooxetaneN106FC1(I)COC1InChI=1S/C3H4FIO/c4-3(5)1-6-2-3/h1-2H2InChIKey=GTKMCTOXAKMUBU-UHFFFAOYSA-N138.3Ex 138.31(BP est) -29.48(MP est) ----(BP exp) ----(MP exp) FC1(I)COC1 -29.5PredN
OC(C=C(F)I)10758201.967C3H4FIO3-fluoro-3-iodoprop-2-en-1-olN106OC(C=C(F)I)InChI=1S/C3H4FIO/c4-3(5)1-2-6/h1,6H,2H2InChIKey=QRGYFLDQXVKLNP-UHFFFAOYSA-N197.4Ex 197.39(BP est) -23.78(MP est) ----(BP exp) ----(MP exp) OC(C=C(F)I) -23.8PredN
C(=O)C(C(F)I)10759201.967C3H4FIO3-fluoro-3-iodopropanalN106C(=O)C(C(F)I)InChI=1S/C3H4FIO/c4-3(5)1-2-6/h2-3H,1H2InChIKey=HUSUKLZSHMWBDX-UHFFFAOYSA-N158.8Ex 158.84(BP est) -42.43(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(F)I) -42.4PredN
CPC(C)I10760201.975C3H8IP(1-iodoethyl)(methyl)phosphaneN135CPC(C)IInChI=1S/C3H8IP/c1-3(4)5-2/h3,5H,1-2H3InChIKey=DLDVUYPXUHXQLT-UHFFFAOYSA-N137.6Ex 137.62(BP est) -62.42(MP est) ----(BP exp) ----(MP exp) CPC(C)I -62.4PredN
CC(P)CI10761201.975C3H8IP(1-iodopropan-2-yl)phosphaneN135CC(P)CIInChI=1S/C3H8IP/c1-3(5)2-4/h3H,2,5H2,1H3InChIKey=HFPUIFYIGMNYJR-UHFFFAOYSA-N156.7Ex 156.67(BP est) -48.67(MP est) ----(BP exp) ----(MP exp) CC(P)CI -48.7PredN
IC(P)CC10762201.975C3H8IP(1-iodopropyl)phosphaneN135IC(P)CCInChI=1S/C3H8IP/c1-2-3(4)5/h3H,2,5H2,1H3InChIKey=IKTROQYJMZAHFY-UHFFFAOYSA-N156.7Ex 156.67(BP est) -48.67(MP est) ----(BP exp) ----(MP exp) IC(P)CC -48.7PredN
CPCCI10763201.975C3H8IP(2-iodoethyl)(methyl)phosphaneN135CPCCIInChI=1S/C3H8IP/c1-5-3-2-4/h5H,2-3H2,1H3InChIKey=OQDAYLYOWACAMQ-UHFFFAOYSA-N151.1Ex 151.05(BP est) -51.00(MP est) ----(BP exp) ----(MP exp) CPCCI -51PredN
IC(C)(P)C10764201.975C3H8IP(2-iodopropan-2-yl)phosphaneN135IC(C)(P)CInChI=1S/C3H8IP/c1-3(2,4)5/h5H2,1-2H3InChIKey=FHWCCNVRJVYUOX-UHFFFAOYSA-N148.0Ex 147.96(BP est) -42.50(MP est) ----(BP exp) ----(MP exp) IC(C)(P)C -42.5PredN
IC(C)CP10765201.975C3H8IP(2-iodopropyl)phosphaneN135IC(C)CPInChI=1S/C3H8IP/c1-3(4)2-5/h3H,2,5H2,1H3InChIKey=DDOUQQJPGZLQTN-UHFFFAOYSA-N156.7Ex 156.67(BP est) -48.67(MP est) ----(BP exp) ----(MP exp) IC(C)CP -48.7PredN
PCCCI10766201.975C3H8IP(3-iodopropyl)phosphaneN135PCCCIInChI=1S/C3H8IP/c4-2-1-3-5/h1-3,5H2InChIKey=JFIKRWXTDCELJI-UHFFFAOYSA-N169.6Ex 169.64(BP est) -37.38(MP est) ----(BP exp) ----(MP exp) PCCCI -37.4PredN
CP(CI)C10767201.975C3H8IP(iodomethyl)dimethylphosphaneN135CP(CI)CInChI=1S/C3H8IP/c1-5(2)3-4/h3H2,1-2H3InChIKey=GLPIKWZMSIXGIN-UHFFFAOYSA-N151.9Ex 151.94(BP est) -51.42(MP est) ----(BP exp) ----(MP exp) CP(CI)C -51.4PredN
ICPCC10768201.975C3H8IPethyl(iodomethyl)phosphaneN135ICPCCInChI=1S/C3H8IP/c1-2-5-3-4/h5H,2-3H2,1H3InChIKey=HPDKHTLNABBXJL-UHFFFAOYSA-N151.1Ex 151.05(BP est) -51.00(MP est) ----(BP exp) ----(MP exp) ICPCC -51PredN
IC(S1)=C1F10769201.985C2FIS2-fluoro-3-iodothiireneN55IC(S1)=C1FInChI=1S/C2FIS/c3-1-2(4)5-1InChIKey=XHJMRKGPYBCZSE-UHFFFAOYSA-N164.1Ex 164.12(BP est) 2.69(MP est) ----(BP exp) ----(MP exp) IC(S1)=C1F 2.7PredN
OC(C)OC(I)10770201.991C3H7IO21-(iodomethoxy)ethan-1-olN136OC(C)OC(I)InChI=1S/C3H7IO2/c1-3(5)6-2-4/h3,5H,2H2,1H3InChIKey=NIZRUUWNYVOSCK-UHFFFAOYSA-N197.0Ex 196.99(BP est) -11.06(MP est) ----(BP exp) ----(MP exp) OC(C)OC(I) -11.1PredN
OC(C)(I)OC10771201.991C3H7IO21-iodo-1-methoxyethan-1-olN136OC(C)(I)OCInChI=1S/C3H7IO2/c1-3(4,5)6-2/h5H,1-2H3InChIKey=VRJSPXJBVIPAIP-UHFFFAOYSA-N179.3Ex 179.34(BP est) -7.50(MP est) ----(BP exp) ----(MP exp) OC(C)(I)OC -7.5PredN
COCOCI10772201.991C3H7IO2iodo(methoxymethoxy)methaneN136COCOCIInChI=1S/C3H7IO2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=DXNAFNQKDRVCMS-UHFFFAOYSA-N159.9Ex 159.87(BP est) -33.69(MP est) ----(BP exp) ----(MP exp) COCOCI -33.7PredN
COC(OC)I10773201.991C3H7IO2iododimethoxymethaneN136COC(OC)IInChI=1S/C3H7IO2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=FVQCVGXKILEXFB-UHFFFAOYSA-N146.7Ex 146.65(BP est) -45.05(MP est) ----(BP exp) ----(MP exp) COC(OC)I -45.1PredN
C(C)(C)(C(F)I)10774202.011C4H8FI1-fluoro-1-iodo-2-methylpropaneN146C(C)(C)(C(F)I)InChI=1S/C4H8FI/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=RJWZGAAVNGIODI-UHFFFAOYSA-N110.4Ex 110.39(BP est) -79.44(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C(F)I) -79.4PredN
C(CCC(F)I)10775202.011C4H8FI1-fluoro-1-iodobutaneN146C(CCC(F)I)InChI=1S/C4H8FI/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=GUKVUVMMYQRBHJ-UHFFFAOYSA-N124.5Ex 124.47(BP est) -67.83(MP est) ----(BP exp) ----(MP exp) C(CCC(F)I) -67.8PredN
C(I)(C)(C)(CF)10776202.011C4H8FI1-fluoro-2-iodo-2-methylpropaneN146C(I)(C)(C)(CF)InChI=1S/C4H8FI/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=PNSPZKPVWFBNKL-UHFFFAOYSA-N115.3Ex 115.25(BP est) -61.81(MP est) ----(BP exp) ----(MP exp) C(I)(C)(C)(CF) -61.8PredN
C(CC(I)CF)10777202.011C4H8FI1-fluoro-2-iodobutaneN146C(CC(I)CF)InChI=1S/C4H8FI/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=QMEDIUVWZZPAQR-UHFFFAOYSA-N124.5Ex 124.47(BP est) -67.83(MP est) ----(BP exp) ----(MP exp) C(CC(I)CF) -67.8PredN
C(C)(CI)(CF)10778202.011C4H8FI1-fluoro-3-iodo-2-methylpropaneN146C(C)(CI)(CF)InChI=1S/C4H8FI/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=UYRCCSKWKGGJJR-UHFFFAOYSA-N124.5Ex 124.47(BP est) -67.83(MP est) ----(BP exp) ----(MP exp) C(C)(CI)(CF) -67.8PredN
C(C(I)CCF)10779202.011C4H8FI1-fluoro-3-iodobutaneN146C(C(I)CCF)InChI=1S/C4H8FI/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=PEKYXGILZCPCAF-UHFFFAOYSA-N124.5Ex 124.47(BP est) -67.83(MP est) ----(BP exp) ----(MP exp) C(C(I)CCF) -67.8PredN
C(I)(CCCF)10780202.011C4H8FI1-fluoro-4-iodobutaneN146C(I)(CCCF)InChI=1S/C4H8FI/c5-3-1-2-4-6/h1-4H2InChIKey=RGFVICVNWNMBQG-UHFFFAOYSA-N138.2Ex 138.22(BP est) -56.31(MP est) ----(BP exp) ----(MP exp) C(I)(CCCF) -56.3PredN
C(F)(C)(C)(CI)10781202.011C4H8FI2-fluoro-1-iodo-2-methylpropaneN146C(F)(C)(C)(CI)InChI=1S/C4H8FI/c1-4(2,5)3-6/h3H2,1-2H3InChIKey=MXPODJANGKJLIO-UHFFFAOYSA-N115.3Ex 115.25(BP est) -61.81(MP est) ----(BP exp) ----(MP exp) C(F)(C)(C)(CI) -61.8PredN
C(CC(F)CI)10782202.011C4H8FI2-fluoro-1-iodobutaneN146C(CC(F)CI)InChI=1S/C4H8FI/c1-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=MGUWWKUNXFRZSZ-UHFFFAOYSA-N124.5Ex 124.47(BP est) -67.83(MP est) ----(BP exp) ----(MP exp) C(CC(F)CI) -67.8PredN
C(CC(F)(I)C)10783202.011C4H8FI2-fluoro-2-iodobutaneN146C(CC(F)(I)C)InChI=1S/C4H8FI/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=PAMNCGNORWSVLO-UHFFFAOYSA-N115.3Ex 115.25(BP est) -61.81(MP est) ----(BP exp) ----(MP exp) C(CC(F)(I)C) -61.8PredN
C(C(I)C(F)C)10784202.011C4H8FI2-fluoro-3-iodobutaneN146C(C(I)C(F)C)InChI=1S/C4H8FI/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=FPYZVHUYVYYUAI-UHFFFAOYSA-N110.4Ex 110.39(BP est) -79.44(MP est) ----(BP exp) ----(MP exp) C(C(I)C(F)C) -79.4PredN
C(C(F)CCI)10785202.011C4H8FI3-fluoro-1-iodobutaneN146C(C(F)CCI)InChI=1S/C4H8FI/c1-4(5)2-3-6/h4H,2-3H2,1H3InChIKey=LQAQFPBLJGJZRQ-UHFFFAOYSA-N124.5Ex 124.47(BP est) -67.83(MP est) ----(BP exp) ----(MP exp) C(C(F)CCI) -67.8PredN
CSC(I)(C)10786202.053C3H7IS(1-iodoethyl)(methyl)sulfaneN125CSC(I)(C)InChI=1S/C3H7IS/c1-3(4)5-2/h3H,1-2H3InChIKey=SJMIKSWCMUXOJG-UHFFFAOYSA-N163.9Ex 163.88(BP est) -45.05(MP est) ----(BP exp) ----(MP exp) CSC(I)(C) -45.1PredN
CSC(CI)10787202.053C3H7IS(2-iodoethyl)(methyl)sulfaneN125CSC(CI)InChI=1S/C3H7IS/c1-5-3-2-4/h2-3H2,1H3InChIKey=JZUAEMOTGJVLPG-UHFFFAOYSA-N176.7Ex 176.67(BP est) -33.82(MP est) ----(BP exp) ----(MP exp) CSC(CI) -33.8PredN
SC(I)(CC)10788202.053C3H7IS1-iodopropane-1-thiolN125SC(I)(CC)InChI=1S/C3H7IS/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=KELFZSVOLWBXEI-UHFFFAOYSA-N176.6Ex 176.61(BP est) -40.30(MP est) ----(BP exp) ----(MP exp) SC(I)(CC) -40.3PredN
SC(C)(CI)10789202.053C3H7IS1-iodopropane-2-thiolN125SC(C)(CI)InChI=1S/C3H7IS/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=LDFSBHMCLXIMFF-UHFFFAOYSA-N176.6Ex 176.61(BP est) -40.30(MP est) ----(BP exp) ----(MP exp) SC(C)(CI) -40.3PredN
SC(C(I)C)10790202.053C3H7IS2-iodopropane-1-thiolN125SC(C(I)C)InChI=1S/C3H7IS/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=FJLSRHLCDHCKAE-UHFFFAOYSA-N176.6Ex 176.61(BP est) -40.30(MP est) ----(BP exp) ----(MP exp) SC(C(I)C) -40.3PredN
SC(I)(C)(C)10791202.053C3H7IS2-iodopropane-2-thiolN125SC(I)(C)(C)InChI=1S/C3H7IS/c1-3(2,4)5/h5H,1-2H3InChIKey=SBJUTLTWTDMONU-UHFFFAOYSA-N168.2Ex 168.24(BP est) -34.04(MP est) ----(BP exp) ----(MP exp) SC(I)(C)(C) -34PredN
SC(CCI)10792202.053C3H7IS3-iodopropane-1-thiolN125SC(CCI)InChI=1S/C3H7IS/c4-2-1-3-5/h5H,1-3H2InChIKey=VZOZFNFGWCBNFE-UHFFFAOYSA-N189.1Ex 189.07(BP est) -29.17(MP est) ----(BP exp) ----(MP exp) SC(CCI) -29.2PredN
C(I)SC(C)10793202.053C3H7ISethyl(iodomethyl)sulfaneN125C(I)SC(C)InChI=1S/C3H7IS/c1-2-5-3-4/h2-3H2,1H3InChIKey=ALQDSMCFMPSLFC-UHFFFAOYSA-N176.7Ex 176.67(BP est) -33.82(MP est) ----(BP exp) ----(MP exp) C(I)SC(C) -33.8PredN
ClC(O1)=C1I10794202.375C2ClIO2-chloro-3-iodooxireneN55ClC(O1)=C1IInChI=1S/C2ClIO/c3-1-2(4)5-1InChIKey=SIAYSTZLNJVYLK-UHFFFAOYSA-N162.3Ex 162.28(BP est) -8.62(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1I -8.6PredN
ClC1(I)CC110798202.419C3H4ClI1-chloro-1-iodocyclopropaneN95ClC1(I)CC1InChI=1S/C3H4ClI/c4-3(5)1-2-3/h1-2H2InChIKey=DBOQUSOUFPUXAJ-UHFFFAOYSA-N141.2Ex 141.21(BP est) -25.49(MP est) ----(BP exp) ----(MP exp) ClC1(I)CC1 -25.5PredN
CC=C(I)Cl10799202.419C3H4ClI1-chloro-1-iodoprop-1-eneN95CC=C(I)ClInChI=1S/C3H4ClI/c1-2-3(4)5/h2H,1H3InChIKey=FKSMZEFQDRWYAA-UHFFFAOYSA-N148.0Ex 147.98(BP est) -53.95(MP est) ----(BP exp) ----(MP exp) CC=C(I)Cl -54PredN
ClC1CC1I10800202.419C3H4ClI1-chloro-2-iodocyclopropaneN95ClC1CC1IInChI=1S/C3H4ClI/c4-2-1-3(2)5/h2-3H,1H2InChIKey=QMUPYKGPBRPJHC-UHFFFAOYSA-N158.5Ex 158.47(BP est) -34.52(MP est) ----(BP exp) ----(MP exp) ClC1CC1I -34.5PredN
CC(I)=CCl10801202.419C3H4ClI1-chloro-2-iodoprop-1-eneN95CC(I)=CClInChI=1S/C3H4ClI/c1-3(5)2-4/h2H,1H3InChIKey=OAVUHRQSHMNITN-UHFFFAOYSA-N148.0Ex 147.98(BP est) -53.95(MP est) ----(BP exp) ----(MP exp) CC(I)=CCl -54PredN
ICC=CCl10802202.419C3H4ClI1-chloro-3-iodoprop-1-eneN95ICC=CClInChI=1S/C3H4ClI/c4-2-1-3-5/h1-2H,3H2InChIKey=OWOHUVQVVSXZFR-UHFFFAOYSA-N154.0Ex 153.99(BP est) -45.22(MP est) ----(BP exp) ----(MP exp) ICC=CCl -45.2PredN
CC(Cl)=CI10803202.419C3H4ClI2-chloro-1-iodoprop-1-eneN95CC(Cl)=CIInChI=1S/C3H4ClI/c1-3(4)2-5/h2H,1H3InChIKey=USFASTLHCJYBFZ-UHFFFAOYSA-N148.0Ex 147.98(BP est) -53.95(MP est) ----(BP exp) ----(MP exp) CC(Cl)=CI -54PredN
ICC(Cl)=C10804202.419C3H4ClI2-chloro-3-iodoprop-1-eneN95ICC(Cl)=CInChI=1S/C3H4ClI/c1-3(4)2-5/h1-2H2InChIKey=BSQHVKZJTOVHBK-UHFFFAOYSA-N101.5Ex 139.44(BP est) -54.79(MP est) ----(BP exp) ----(MP exp) ICC(Cl)=C -54.8PredN
C(Cl)(C=CI)10805202.419C3H4ClI3-chloro-1-iodoprop-1-eneN95C(Cl)(C=CI)InChI=1S/C3H4ClI/c4-2-1-3-5/h1,3H,2H2InChIKey=WSCLPWSZZPLDRM-UHFFFAOYSA-N179.2Ex 179.18(BP est) -37.86(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=CI) -37.9PredN
C(Cl)(C(I)=C)10806202.419C3H4ClI3-chloro-2-iodoprop-1-eneN95C(Cl)(C(I)=C)InChI=1S/C3H4ClI/c1-3(5)2-4/h1-2H2InChIKey=LWQZGSMWTOZWAE-UHFFFAOYSA-N165.3Ex 165.33(BP est) -47.23(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)=C) -47.2PredN
ClC(C=C)I10807202.419C3H4ClI3-chloro-3-iodoprop-1-eneN95ClC(C=C)IInChI=1S/C3H4ClI/c1-2-3(4)5/h2-3H,1H2InChIKey=HCVVUDNZJJBVLT-UHFFFAOYSA-N146.2Ex 146.21(BP est) -53.33(MP est) ----(BP exp) ----(MP exp) ClC(C=C)I -53.3PredN
NC(Br)(Br)(C)10809202.877C2H5Br2N1,1-dibromoethan-1-amineN105NC(Br)(Br)(C)InChI=1S/C2H5Br2N/c1-2(3,4)5/h5H2,1H3InChIKey=ZMUFGXQLQVGSLT-UHFFFAOYSA-N167.5Ex 167.51(BP est) 14.29(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(C) 14.3PredN
CNC(Br)Br10810202.877C2H5Br2N1,1-dibromo-N-methylmethanamineN105CNC(Br)BrInChI=1S/C2H5Br2N/c1-5-2(3)4/h2,5H,1H3InChIKey=HLAYKGIGNNRVJQ-UHFFFAOYSA-N159.2Ex 159.22(BP est) -12.15(MP est) ----(BP exp) ----(MP exp) CNC(Br)Br -12.2PredN
NC(Br)(CBr)10811202.877C2H5Br2N1,2-dibromoethan-1-amineN105NC(Br)(CBr)InChI=1S/C2H5Br2N/c3-1-2(4)5/h2H,1,5H2InChIKey=CEKSXTVQMZKTHE-UHFFFAOYSA-N175.9Ex 175.90(BP est) 8.02(MP est) ----(BP exp) ----(MP exp) NC(Br)(CBr) 8PredN
NC(C(Br)Br)10812202.877C2H5Br2N2,2-dibromoethan-1-amineN105NC(C(Br)Br)InChI=1S/C2H5Br2N/c3-2(4)1-5/h2H,1,5H2InChIKey=WLRXFHDCVUUTBF-UHFFFAOYSA-N175.9Ex 175.90(BP est) 8.02(MP est) ----(BP exp) ----(MP exp) NC(C(Br)Br) 8PredN
C(Br)NC(Br)10813202.877C2H5Br2Nbis(bromomethyl)amineN105C(Br)NC(Br)InChI=1S/C2H5Br2N/c3-1-5-2-4/h5H,1-2H2InChIKey=ABLZTHKORBBIOU-UHFFFAOYSA-N172.1Ex 172.13(BP est) -0.88(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Br) -0.9PredN
FC(C(N)=O)I10814202.955C2H3FINO2-fluoro-2-iodoacetamideN96FC(C(N)=O)IInChI=1S/C2H3FINO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=IOBAQRIPIOXEBR-UHFFFAOYSA-N257.2Ex 257.24(BP est) 56.88(MP est) ----(BP exp) ----(MP exp) FC(C(N)=O)I 56.9PredN
FC1(I)N(O)C110815202.955C2H3FINO2-fluoro-2-iodoaziridin-1-olN96FC1(I)N(O)C1InChI=1S/C2H3FINO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=TVDBMEWSWCHGEY-UHFFFAOYSA-N261.8Ex 261.76(BP est) 53.66(MP est) ----(BP exp) ----(MP exp) FC1(I)N(O)C1 53.7PredN
FC1(I)NOC110816202.955C2H3FINO3-fluoro-3-iodo-1,2-oxazetidineN96FC1(I)NOC1InChI=1S/C2H3FINO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=LOHNRVOSRCTWPG-UHFFFAOYSA-N173.5Ex 173.49(BP est) 27.67(MP est) ----(BP exp) ----(MP exp) FC1(I)NOC1 27.7PredN
FC1NOC1I10817202.955C2H3FINO3-fluoro-4-iodo-1,2-oxazetidineN96FC1NOC1IInChI=1S/C2H3FINO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=VAKGAIHIBLAHAV-UHFFFAOYSA-N178.5Ex 178.47(BP est) 15.06(MP est) ----(BP exp) ----(MP exp) FC1NOC1I 15.1PredN
IC1NOC1F10818202.955C2H3FINO4-fluoro-3-iodo-1,2-oxazetidineN96IC1NOC1FInChI=1S/C2H3FINO/c3-1-2(4)5-6-1/h1-2,5HInChIKey=UGNYTYQGMNNZGG-UHFFFAOYSA-N178.5Ex 178.47(BP est) 15.06(MP est) ----(BP exp) ----(MP exp) IC1NOC1F 15.1PredN
FC1(I)CNO110819202.955C2H3FINO4-fluoro-4-iodo-1,2-oxazetidineN96FC1(I)CNO1InChI=1S/C2H3FINO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=QQQDCRJXMMMSCD-UHFFFAOYSA-N173.5Ex 173.49(BP est) 27.67(MP est) ----(BP exp) ----(MP exp) FC1(I)CNO1 27.7PredN
NOC(F)=CI10820202.955C2H3FINOO-(1-fluoro-2-iodovinyl)hydroxylamineN96NOC(F)=CIInChI=1S/C2H3FINO/c3-2(1-4)6-5/h1H,5H2InChIKey=RXDFJATZKDOFSI-UHFFFAOYSA-N175.8Ex 175.77(BP est) -13.39(MP est) ----(BP exp) ----(MP exp) NOC(F)=CI -13.4PredN
NOC(I)=CF10821202.955C2H3FINOO-(2-fluoro-1-iodovinyl)hydroxylamineN96NOC(I)=CFInChI=1S/C2H3FINO/c3-1-2(4)6-5/h1H,5H2InChIKey=FLMGTNBPNHABSZ-UHFFFAOYSA-N175.8Ex 175.77(BP est) -13.39(MP est) ----(BP exp) ----(MP exp) NOC(I)=CF -13.4PredN
NOC=C(I)F10822202.955C2H3FINOO-(2-fluoro-2-iodovinyl)hydroxylamineN96NOC=C(I)FInChI=1S/C2H3FINO/c3-2(4)1-6-5/h1H,5H2InChIKey=YZQOODQEOPWIKP-UHFFFAOYSA-N175.8Ex 175.77(BP est) -13.39(MP est) ----(BP exp) ----(MP exp) NOC=C(I)F -13.4PredN
CN(C)C(F)(I)10823202.999C3H7FIN1-fluoro-1-iodo-N,N-dimethylmethanamineN136CN(C)C(F)(I)InChI=1S/C3H7FIN/c1-6(2)3(4)5/h3H,1-2H3InChIKey=RFVGBPPXQLTSBW-UHFFFAOYSA-N123.8Ex 123.82(BP est) -57.42(MP est) ----(BP exp) ----(MP exp) CN(C)C(F)(I) -57.4PredN
CNC(F)(I)(C)10824202.999C3H7FIN1-fluoro-1-iodo-N-methylethan-1-amineN136CNC(F)(I)(C)InChI=1S/C3H7FIN/c1-3(4,5)6-2/h6H,1-2H3InChIKey=LGDQTSYLKXOSPW-UHFFFAOYSA-N135.3Ex 135.29(BP est) -35.26(MP est) ----(BP exp) ----(MP exp) CNC(F)(I)(C) -35.3PredN
NC(F)(I)(CC)10825202.999C3H7FIN1-fluoro-1-iodopropan-1-amineN136NC(F)(I)(CC)InChI=1S/C3H7FIN/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=VMZOZILAPJMGSK-UHFFFAOYSA-N152.7Ex 152.73(BP est) -14.87(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(CC) -14.9PredN
NC(C)(C(F)I)10826202.999C3H7FIN1-fluoro-1-iodopropan-2-amineN136NC(C)(C(F)I)InChI=1S/C3H7FIN/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=DEMAEQVICGCCPP-UHFFFAOYSA-N148.2Ex 148.18(BP est) -32.41(MP est) ----(BP exp) ----(MP exp) NC(C)(C(F)I) -32.4PredN
CNC(F)(CI)10827202.999C3H7FIN1-fluoro-2-iodo-N-methylethan-1-amineN136CNC(F)(CI)InChI=1S/C3H7FIN/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=SFEGMZBOGPMLBE-UHFFFAOYSA-N144.2Ex 144.20(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) CNC(F)(CI) -41.4PredN
NC(F)(C(I)C)10828202.999C3H7FIN1-fluoro-2-iodopropan-1-amineN136NC(F)(C(I)C)InChI=1S/C3H7FIN/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=QPACGVOPXNDCPP-UHFFFAOYSA-N148.2Ex 148.18(BP est) -32.41(MP est) ----(BP exp) ----(MP exp) NC(F)(C(I)C) -32.4PredN
NC(I)(C)(CF)10829202.999C3H7FIN1-fluoro-2-iodopropan-2-amineN136NC(I)(C)(CF)InChI=1S/C3H7FIN/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=CWXSOUKAFIHKOO-UHFFFAOYSA-N152.7Ex 152.73(BP est) -14.87(MP est) ----(BP exp) ----(MP exp) NC(I)(C)(CF) -14.9PredN
NC(F)(CCI)10830202.999C3H7FIN1-fluoro-3-iodopropan-1-amineN136NC(F)(CCI)InChI=1S/C3H7FIN/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=FSKOSCGBGBCMBN-UHFFFAOYSA-N161.4Ex 161.36(BP est) -21.06(MP est) ----(BP exp) ----(MP exp) NC(F)(CCI) -21.1PredN
NC(CI)(CF)10831202.999C3H7FIN1-fluoro-3-iodopropan-2-amineN136NC(CI)(CF)InChI=1S/C3H7FIN/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=PNVLPKHZNGCDFW-UHFFFAOYSA-N161.4Ex 161.36(BP est) -21.06(MP est) ----(BP exp) ----(MP exp) NC(CI)(CF) -21.1PredN
C(I)NC(F)(C)10832202.999C3H7FIN1-fluoro-N-(iodomethyl)ethan-1-amineN136C(I)NC(F)(C)InChI=1S/C3H7FIN/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=AQJADTLMZBRRHJ-UHFFFAOYSA-N144.2Ex 144.20(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) C(I)NC(F)(C) -41.4PredN
CN(C(I))C(F)10833202.999C3H7FIN1-fluoro-N-(iodomethyl)-N-methylmethanamineN136CN(C(I))C(F)InChI=1S/C3H7FIN/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=DUYZHAXOCVYEBJ-UHFFFAOYSA-N137.6Ex 137.59(BP est) -45.90(MP est) ----(BP exp) ----(MP exp) CN(C(I))C(F) -45.9PredN
CNC(I)(CF)10834202.999C3H7FIN2-fluoro-1-iodo-N-methylethan-1-amineN136CNC(I)(CF)InChI=1S/C3H7FIN/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=MIEGSCVHVJNPSI-UHFFFAOYSA-N144.2Ex 144.20(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) CNC(I)(CF) -41.4PredN
NC(I)(C(F)C)10835202.999C3H7FIN2-fluoro-1-iodopropan-1-amineN136NC(I)(C(F)C)InChI=1S/C3H7FIN/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=GVXNZWDVWJEHMA-UHFFFAOYSA-N148.2Ex 148.18(BP est) -32.41(MP est) ----(BP exp) ----(MP exp) NC(I)(C(F)C) -32.4PredN
NC(F)(C)(CI)10836202.999C3H7FIN2-fluoro-1-iodopropan-2-amineN136NC(F)(C)(CI)InChI=1S/C3H7FIN/c1-3(4,6)2-5/h2,6H2,1H3InChIKey=NWGAWZFSEVXWBF-UHFFFAOYSA-N152.7Ex 152.73(BP est) -14.87(MP est) ----(BP exp) ----(MP exp) NC(F)(C)(CI) -14.9PredN
CNC(C(F)I)10837202.999C3H7FIN2-fluoro-2-iodo-N-methylethan-1-amineN136CNC(C(F)I)InChI=1S/C3H7FIN/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=INQGDLAQZXFQLX-UHFFFAOYSA-N144.2Ex 144.20(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) CNC(C(F)I) -41.4PredN
NC(C(F)(I)C)10838202.999C3H7FIN2-fluoro-2-iodopropan-1-amineN136NC(C(F)(I)C)InChI=1S/C3H7FIN/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=YURQNRABOMELMT-UHFFFAOYSA-N152.7Ex 152.73(BP est) -14.87(MP est) ----(BP exp) ----(MP exp) NC(C(F)(I)C) -14.9PredN
NC(C(F)CI)10839202.999C3H7FIN2-fluoro-3-iodopropan-1-amineN136NC(C(F)CI)InChI=1S/C3H7FIN/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=UUPDMRPZCWOTKC-UHFFFAOYSA-N161.4Ex 161.36(BP est) -21.06(MP est) ----(BP exp) ----(MP exp) NC(C(F)CI) -21.1PredN
C(I)NC(CF)10840202.999C3H7FIN2-fluoro-N-(iodomethyl)ethan-1-amineN136C(I)NC(CF)InChI=1S/C3H7FIN/c4-1-2-6-3-5/h6H,1-3H2InChIKey=BVSHQKQMRIPYBE-UHFFFAOYSA-N157.5Ex 157.48(BP est) -29.99(MP est) ----(BP exp) ----(MP exp) C(I)NC(CF) -30PredN
NC(I)(CCF)10841202.999C3H7FIN3-fluoro-1-iodopropan-1-amineN136NC(I)(CCF)InChI=1S/C3H7FIN/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=GAYQBFWRSLSMCL-UHFFFAOYSA-N161.4Ex 161.36(BP est) -21.06(MP est) ----(BP exp) ----(MP exp) NC(I)(CCF) -21.1PredN
NC(C(I)CF)10842202.999C3H7FIN3-fluoro-2-iodopropan-1-amineN136NC(C(I)CF)InChI=1S/C3H7FIN/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=JGZIVGRERDHNHH-UHFFFAOYSA-N161.4Ex 161.36(BP est) -21.06(MP est) ----(BP exp) ----(MP exp) NC(C(I)CF) -21.1PredN
NC(CC(F)I)10843202.999C3H7FIN3-fluoro-3-iodopropan-1-amineN136NC(CC(F)I)InChI=1S/C3H7FIN/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=AQQWZZZOVHRVPK-UHFFFAOYSA-N161.4Ex 161.36(BP est) -21.06(MP est) ----(BP exp) ----(MP exp) NC(CC(F)I) -21.1PredN
C(F)(I)NC(C)10844202.999C3H7FINN-(fluoroiodomethyl)ethanamineN136C(F)(I)NC(C)InChI=1S/C3H7FIN/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=UUKHOJZMQSKODO-UHFFFAOYSA-N144.2Ex 144.20(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) C(F)(I)NC(C) -41.4PredN
C(F)NC(I)(C)10845202.999C3H7FINN-(fluoromethyl)-1-iodoethan-1-amineN136C(F)NC(I)(C)InChI=1S/C3H7FIN/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=YRMONXLLHCPRJR-UHFFFAOYSA-N144.2Ex 144.20(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) C(F)NC(I)(C) -41.4PredN
C(F)NC(CI)10846202.999C3H7FINN-(fluoromethyl)-2-iodoethan-1-amineN136C(F)NC(CI)InChI=1S/C3H7FIN/c4-3-6-2-1-5/h6H,1-3H2InChIKey=XUHGUXQYFSQCAD-UHFFFAOYSA-N157.5Ex 157.48(BP est) -29.99(MP est) ----(BP exp) ----(MP exp) C(F)NC(CI) -30PredN
ClC1(I)CN110847203.407C2H3ClIN2-chloro-2-iodoaziridineN85ClC1(I)CN1InChI=1S/C2H3ClIN/c3-2(4)1-5-2/h5H,1H2InChIKey=IKTRMCWGOBQNNJ-UHFFFAOYSA-N176.2Ex 176.19(BP est) 10.41(MP est) ----(BP exp) ----(MP exp) ClC1(I)CN1 10.4PredN
ClC1C(I)N110848203.407C2H3ClIN2-chloro-3-iodoaziridineN85ClC1C(I)N1InChI=1S/C2H3ClIN/c3-1-2(4)5-1/h1-2,5HInChIKey=VCFMBFILKLWCGK-UHFFFAOYSA-N192.3Ex 192.31(BP est) 22.24(MP est) ----(BP exp) ----(MP exp) ClC1C(I)N1 22.2PredN
C(F)=C(Br)(Br)10850203.836C2HBr2F1,1-dibromo-2-fluoroetheneN65C(F)=C(Br)(Br)InChI=1S/C2HBr2F/c3-2(4)1-5/h1HInChIKey=ODGLWGRDIBCXGD-UHFFFAOYSA-N134.1Ex 134.05(BP est) -47.55(MP est) ----(BP exp) ----(MP exp) C(F)=C(Br)(Br) -47.6PredN
C(Br)=C(Br)(F)10851203.836C2HBr2F1,2-dibromo-1-fluoroetheneN65C(Br)=C(Br)(F)InChI=1S/C2HBr2F/c3-1-2(4)5/h1HInChIKey=SVTXQCIMTFGPTM-UHFFFAOYSA-N122.5Ex 134.05(BP est) -47.55(MP est) ----(BP exp) ----(MP exp) C(Br)=C(Br)(F) -47.6PredN
OC(Br)(Br)(C)10852203.861C2H4Br2O1,1-dibromoethan-1-olN95OC(Br)(Br)(C)InChI=1S/C2H4Br2O/c1-2(3,4)5/h5H,1H3InChIKey=VRPLZTMSEURZKM-UHFFFAOYSA-N173.9Ex 173.94(BP est) 4.94(MP est) ----(BP exp) ----(MP exp) OC(Br)(Br)(C) 4.9PredN
OC(Br)(CBr)10853203.861C2H4Br2O1,2-dibromoethan-1-olN95OC(Br)(CBr)InChI=1S/C2H4Br2O/c3-1-2(4)5/h2,5H,1H2InChIKey=IYJYRKYSUOTLAE-UHFFFAOYSA-N191.8Ex 191.79(BP est) 1.44(MP est) ----(BP exp) ----(MP exp) OC(Br)(CBr) 1.4PredN
OC(C(Br)Br)10854203.861C2H4Br2O2,2-dibromoethan-1-olN95OC(C(Br)Br)InChI=1S/C2H4Br2O/c3-2(4)1-5/h2,5H,1H2InChIKey=OGZJULUCZAZKHP-UHFFFAOYSA-N198.3Ex 198.29(BP est) 3.34(MP est) ----(BP exp) ----(MP exp) OC(C(Br)Br) 3.3PredN
C(Br)OC(Br)10855203.861C2H4Br2Obromo(bromomethoxy)methaneN95C(Br)OC(Br)InChI=1S/C2H4Br2O/c3-1-5-2-4/h1-2H2InChIKey=CVDGHGWEHQIJTE-UHFFFAOYSA-N154.5Ex 154.25(BP est) -21.31(MP est) 154.50(BP exp) -34.00(MP exp) C(Br)OC(Br) -34ExptN
COC(Br)Br10856203.861C2H4Br2Odibromo(methoxy)methaneN95COC(Br)BrInChI=1S/C2H4Br2O/c1-5-2(3)4/h2H,1H3InChIKey=HDMDJEKUPKOGNK-UHFFFAOYSA-N140.9Ex 140.90(BP est) -32.71(MP est) ----(BP exp) ----(MP exp) COC(Br)Br -32.7PredN
NNC(Br)(Br)10857203.865CH4Br2N2(dibromomethyl)hydrazineN95NNC(Br)(Br)InChI=1S/CH4Br2N2/c2-1(3)5-4/h1,5H,4H2InChIKey=JRQPDGOMZOGMDB-UHFFFAOYSA-N193.8Ex 193.80(BP est) 22.46(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Br) 22.5PredN
PC(F)=CI10858203.923C2H3FIP(1-fluoro-2-iodovinyl)phosphaneN85PC(F)=CIInChI=1S/C2H3FIP/c3-2(5)1-4/h1H,5H2InChIKey=VIHQYRXEQYANSE-UHFFFAOYSA-N150.9Ex 150.88(BP est) -57.72(MP est) ----(BP exp) ----(MP exp) PC(F)=CI -57.7PredN
PC(I)=CF10859203.923C2H3FIP(2-fluoro-1-iodovinyl)phosphaneN85PC(I)=CFInChI=1S/C2H3FIP/c3-1-2(4)5/h1H,5H2InChIKey=JTZXPSYKLBITSI-UHFFFAOYSA-N150.9Ex 150.88(BP est) -57.72(MP est) ----(BP exp) ----(MP exp) PC(I)=CF -57.7PredN
PC=C(F)I10860203.923C2H3FIP(2-fluoro-2-iodovinyl)phosphaneN85PC=C(F)IInChI=1S/C2H3FIP/c3-2(4)1-5/h1H,5H2InChIKey=FHUWKSGPTWXAAU-UHFFFAOYSA-N150.9Ex 150.88(BP est) -57.72(MP est) ----(BP exp) ----(MP exp) PC=C(F)I -57.7PredN
FC1(I)CP110861203.923C2H3FIP2-fluoro-2-iodophosphiraneN85FC1(I)CP1InChI=1S/C2H3FIP/c3-2(4)1-5-2/h5H,1H2InChIKey=CKGZBLJLPIJBPJ-UHFFFAOYSA-N120.5Ex 120.47(BP est) -42.58(MP est) ----(BP exp) ----(MP exp) FC1(I)CP1 -42.6PredN
IC1C(F)P110862203.923C2H3FIP2-fluoro-3-iodophosphiraneN85IC1C(F)P1InChI=1S/C2H3FIP/c3-1-2(4)5-1/h1-2,5HInChIKey=NURSTPQVCULVNG-UHFFFAOYSA-N126.0Ex 125.97(BP est) -55.05(MP est) ----(BP exp) ----(MP exp) IC1C(F)P1 -55.1PredN
OC(=O)C(F)(I)10863203.939C2H2FIO22-fluoro-2-iodoacetic acidN86OC(=O)C(F)(I)InChI=1S/C2H2FIO2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=SJXIKOHXQZCHCS-UHFFFAOYSA-N211.6Ex 211.61(BP est) 26.64(MP est) ----(BP exp) ----(MP exp) OC(=O)C(F)(I) 26.6PredN
ICPOC10864203.947C2H6IOP(iodomethyl)(methoxy)phosphaneN115ICPOCInChI=1S/C2H6IOP/c1-4-5-2-3/h5H,2H2,1H3InChIKey=HOIUSJQYDKIVGR-UHFFFAOYSA-N151.9Ex 151.91(BP est) -45.27(MP est) ----(BP exp) ----(MP exp) ICPOC -45.3PredN
O=P(C)CI10865203.947C2H6IOP(iodomethyl)(methyl)phosphine oxideN115O=P(C)CIInChI=1S/C2H6IOP/c1-5(4)2-3/h5H,2H2,1H3InChIKey=SHTPDUNGUIJTHO-UHFFFAOYSA-N188.3Ex 188.28(BP est) -28.26(MP est) ----(BP exp) ----(MP exp) O=P(C)CI -28.3PredN
C(C1I)(C1(F)F)10869203.958C3H3F2I1,1-difluoro-2-iodocyclopropaneN96C(C1I)(C1(F)F)InChI=1S/C3H3F2I/c4-3(5)1-2(3)6/h2H,1H2InChIKey=CJXQHKSCACKDPZ-UHFFFAOYSA-N102.2Ex 102.21(BP est) -53.37(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1(F)F) -53.4PredN
C(C(I)=C(F)F)10870203.958C3H3F2I1,1-difluoro-2-iodoprop-1-eneN96C(C(I)=C(F)F)InChI=1S/C3H3F2I/c1-2(6)3(4)5/h1H3InChIKey=NORIOZRULZXTFH-UHFFFAOYSA-N111.9Ex 111.94(BP est) -85.83(MP est) ----(BP exp) ----(MP exp) C(C(I)=C(F)F) -85.8PredN
C(I)(C=C(F)F)10871203.958C3H3F2I1,1-difluoro-3-iodoprop-1-eneN96C(I)(C=C(F)F)InChI=1S/C3H3F2I/c4-3(5)1-2-6/h1H,2H2InChIKey=MFCCTJAKWBKXTQ-UHFFFAOYSA-N118.3Ex 118.34(BP est) -76.98(MP est) ----(BP exp) ----(MP exp) C(I)(C=C(F)F) -77PredN
C(C1F)(C1(F)I)10872203.958C3H3F2I1,2-difluoro-1-iodocyclopropaneN96C(C1F)(C1(F)I)InChI=1S/C3H3F2I/c4-2-1-3(2,5)6/h2H,1H2InChIKey=QHRUSWBVLAJGFG-UHFFFAOYSA-N102.2Ex 102.21(BP est) -53.37(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(F)I) -53.4PredN
C(C(F)=C(F)I)10873203.958C3H3F2I1,2-difluoro-1-iodoprop-1-eneN96C(C(F)=C(F)I)InChI=1S/C3H3F2I/c1-2(4)3(5)6/h1H3InChIKey=IYZHNFRMQKKLBQ-UHFFFAOYSA-N111.9Ex 111.94(BP est) -85.83(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(F)I) -85.8PredN
C(I)(C1F)(C1F)10874203.958C3H3F2I1,2-difluoro-3-iodocyclopropaneN96C(I)(C1F)(C1F)InChI=1S/C3H3F2I/c4-1-2(5)3(1)6/h1-3HInChIKey=WQQXEGFCPWEVNO-UHFFFAOYSA-N107.9Ex 107.87(BP est) -65.78(MP est) ----(BP exp) ----(MP exp) C(I)(C1F)(C1F) -65.8PredN
C(I)(C(F)=CF)10875203.958C3H3F2I1,2-difluoro-3-iodoprop-1-eneN96C(I)(C(F)=CF)InChI=1S/C3H3F2I/c4-1-3(5)2-6/h1H,2H2InChIKey=FMOKECBJTFYLLV-UHFFFAOYSA-N118.3Ex 118.34(BP est) -76.98(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)=CF) -77PredN
C(F)(C=C(F)I)10876203.958C3H3F2I1,3-difluoro-1-iodoprop-1-eneN96C(F)(C=C(F)I)InChI=1S/C3H3F2I/c4-2-1-3(5)6/h1H,2H2InChIKey=STRUJFLMECYNBQ-UHFFFAOYSA-N118.3Ex 118.34(BP est) -76.98(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(F)I) -77PredN
C(F)(C(I)=CF)10877203.958C3H3F2I1,3-difluoro-2-iodoprop-1-eneN96C(F)(C(I)=CF)InChI=1S/C3H3F2I/c4-1-3(6)2-5/h1H,2H2InChIKey=YUHHDFZXFGZLIE-UHFFFAOYSA-N118.3Ex 118.34(BP est) -76.98(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)=CF) -77PredN
C(F)(I)(C=CF)10878203.958C3H3F2I1,3-difluoro-3-iodoprop-1-eneN96C(F)(I)(C=CF)InChI=1S/C3H3F2I/c4-2-1-3(5)6/h1-3HInChIKey=LFAKTCWSUBOKOL-UHFFFAOYSA-N110.6Ex 110.59(BP est) -79.76(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C=CF) -79.8PredN
C(F)(C(F)=CI)10879203.958C3H3F2I2,3-difluoro-1-iodoprop-1-eneN96C(F)(C(F)=CI)InChI=1S/C3H3F2I/c4-1-3(5)2-6/h2H,1H2InChIKey=UYTZVEYZNURBKK-UHFFFAOYSA-N118.3Ex 118.34(BP est) -76.98(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)=CI) -77PredN
C(F)(I)(C(F)=C)10880203.958C3H3F2I2,3-difluoro-3-iodoprop-1-eneN96C(F)(I)(C(F)=C)InChI=1S/C3H3F2I/c1-2(4)3(5)6/h3H,1H2InChIKey=NRAUODLTUMFKBM-UHFFFAOYSA-N94.9Ex 94.91(BP est) -89.66(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C(F)=C) -89.7PredN
C(F)(F)(C=CI)10881203.958C3H3F2I3,3-difluoro-1-iodoprop-1-eneN96C(F)(F)(C=CI)InChI=1S/C3H3F2I/c4-3(5)1-2-6/h1-3HInChIKey=GECCDTFLIRKVDR-UHFFFAOYSA-N110.6Ex 110.59(BP est) -79.76(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C=CI) -79.8PredN
C(F)(F)(C(I)=C)10882203.958C3H3F2I3,3-difluoro-2-iodoprop-1-eneN96C(F)(F)(C(I)=C)InChI=1S/C3H3F2I/c1-2(6)3(4)5/h3H,1H2InChIKey=SFONUDZKBXWNST-UHFFFAOYSA-N94.9Ex 94.91(BP est) -89.66(MP est) ----(BP exp) ----(MP exp) C(F)(F)(C(I)=C) -89.7PredN
C(F)(F)(I)(C=C)10883203.958C3H3F2I3,3-difluoro-3-iodoprop-1-eneN96C(F)(F)(I)(C=C)InChI=1S/C3H3F2I/c1-2-3(4,5)6/h2H,1H2InChIKey=FZAJBFFITONDAU-UHFFFAOYSA-N91.9Ex 91.91(BP est) -74.84(MP est) ----(BP exp) ----(MP exp) C(F)(F)(I)(C=C) -74.8PredN
C(F)(I)OC(C)10884203.983C3H6FIO(fluoroiodomethoxy)ethaneN126C(F)(I)OC(C)InChI=1S/C3H6FIO/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=UGEYHFMWRCOBOV-UHFFFAOYSA-N125.4Ex 125.36(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) C(F)(I)OC(C) -62.1PredN
C(F)OC(I)(C)10885203.983C3H6FIO1-(fluoromethoxy)-1-iodoethaneN126C(F)OC(I)(C)InChI=1S/C3H6FIO/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=JMPNABVEGVIZGW-UHFFFAOYSA-N125.4Ex 125.36(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) C(F)OC(I)(C) -62.1PredN
C(F)OC(CI)10886203.983C3H6FIO1-(fluoromethoxy)-2-iodoethaneN126C(F)OC(CI)InChI=1S/C3H6FIO/c4-3-6-2-1-5/h1-3H2InChIKey=OXNSAEBTBPSONS-UHFFFAOYSA-N139.1Ex 139.10(BP est) -50.58(MP est) ----(BP exp) ----(MP exp) C(F)OC(CI) -50.6PredN
C(I)OC(F)(C)10887203.983C3H6FIO1-fluoro-1-(iodomethoxy)ethaneN126C(I)OC(F)(C)InChI=1S/C3H6FIO/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=JMVDKFNWAXPRTI-UHFFFAOYSA-N125.4Ex 125.36(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) C(I)OC(F)(C) -62.1PredN
COC(F)(I)(C)10888203.983C3H6FIO1-fluoro-1-iodo-1-methoxyethaneN126COC(F)(I)(C)InChI=1S/C3H6FIO/c1-3(4,5)6-2/h1-2H3InChIKey=CZZXRASFCWGILT-UHFFFAOYSA-N116.2Ex 116.16(BP est) -56.06(MP est) ----(BP exp) ----(MP exp) COC(F)(I)(C) -56.1PredN
COC(C(F)I)10889203.983C3H6FIO1-fluoro-1-iodo-2-methoxyethaneN126COC(C(F)I)InChI=1S/C3H6FIO/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=ZZJOCVNABITNJT-UHFFFAOYSA-N125.4Ex 125.36(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) COC(C(F)I) -62.1PredN
OC(F)(I)(CC)10890203.983C3H6FIO1-fluoro-1-iodopropan-1-olN126OC(F)(I)(CC)InChI=1S/C3H6FIO/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=ZQESXKFIDNPLTD-UHFFFAOYSA-N159.4Ex 159.35(BP est) -24.16(MP est) ----(BP exp) ----(MP exp) OC(F)(I)(CC) -24.2PredN
OC(C)(C(F)I)10891203.983C3H6FIO1-fluoro-1-iodopropan-2-olN126OC(C)(C(F)I)InChI=1S/C3H6FIO/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=SQQYNUOQAJDMKZ-UHFFFAOYSA-N165.0Ex 164.96(BP est) -38.73(MP est) ----(BP exp) ----(MP exp) OC(C)(C(F)I) -38.7PredN
C(I)OC(CF)10892203.983C3H6FIO1-fluoro-2-(iodomethoxy)ethaneN126C(I)OC(CF)InChI=1S/C3H6FIO/c4-1-2-6-3-5/h1-3H2InChIKey=JBPJIFXRANUZTP-UHFFFAOYSA-N139.1Ex 139.10(BP est) -50.58(MP est) ----(BP exp) ----(MP exp) C(I)OC(CF) -50.6PredN
COC(F)(CI)10893203.983C3H6FIO1-fluoro-2-iodo-1-methoxyethaneN126COC(F)(CI)InChI=1S/C3H6FIO/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=DYUAKLWKKGOBQN-UHFFFAOYSA-N125.4Ex 125.36(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) COC(F)(CI) -62.1PredN
OC(F)(C(I)C)10894203.983C3H6FIO1-fluoro-2-iodopropan-1-olN126OC(F)(C(I)C)InChI=1S/C3H6FIO/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=VJBCELICOASKQO-UHFFFAOYSA-N165.0Ex 164.96(BP est) -38.73(MP est) ----(BP exp) ----(MP exp) OC(F)(C(I)C) -38.7PredN
OC(I)(C)(CF)10895203.983C3H6FIO1-fluoro-2-iodopropan-2-olN126OC(I)(C)(CF)InChI=1S/C3H6FIO/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=SVFWDSTWLDUYHE-UHFFFAOYSA-N159.4Ex 159.35(BP est) -24.16(MP est) ----(BP exp) ----(MP exp) OC(I)(C)(CF) -24.2PredN
OC(F)(CCI)10896203.983C3H6FIO1-fluoro-3-iodopropan-1-olN126OC(F)(CCI)InChI=1S/C3H6FIO/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=FPNPVQNZYNGJOA-UHFFFAOYSA-N177.7Ex 177.72(BP est) -27.50(MP est) ----(BP exp) ----(MP exp) OC(F)(CCI) -27.5PredN
OC(CI)(CF)10897203.983C3H6FIO1-fluoro-3-iodopropan-2-olN126OC(CI)(CF)InChI=1S/C3H6FIO/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=BLFLUXPFFOOUOP-UHFFFAOYSA-N177.7Ex 177.72(BP est) -27.50(MP est) ----(BP exp) ----(MP exp) OC(CI)(CF) -27.5PredN
COC(I)(CF)10898203.983C3H6FIO2-fluoro-1-iodo-1-methoxyethaneN126COC(I)(CF)InChI=1S/C3H6FIO/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=LKYGADYVZLEQET-UHFFFAOYSA-N125.4Ex 125.36(BP est) -62.09(MP est) ----(BP exp) ----(MP exp) COC(I)(CF) -62.1PredN
OC(I)(C(F)C)10899203.983C3H6FIO2-fluoro-1-iodopropan-1-olN126OC(I)(C(F)C)InChI=1S/C3H6FIO/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=IXEXJLFTFOVCEX-UHFFFAOYSA-N165.0Ex 164.96(BP est) -38.73(MP est) ----(BP exp) ----(MP exp) OC(I)(C(F)C) -38.7PredN
OC(F)(C)(CI)10900203.983C3H6FIO2-fluoro-1-iodopropan-2-olN126OC(F)(C)(CI)InChI=1S/C3H6FIO/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=JTEICYYJLQOERE-UHFFFAOYSA-N159.4Ex 159.35(BP est) -24.16(MP est) ----(BP exp) ----(MP exp) OC(F)(C)(CI) -24.2PredN
OC(C(F)(I)C)10901203.983C3H6FIO2-fluoro-2-iodopropan-1-olN126OC(C(F)(I)C)InChI=1S/C3H6FIO/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=MNRVRTOXBFLZFW-UHFFFAOYSA-N176.2Ex 176.19(BP est) -19.24(MP est) ----(BP exp) ----(MP exp) OC(C(F)(I)C) -19.2PredN
OC(C(F)CI)10902203.983C3H6FIO2-fluoro-3-iodopropan-1-olN126OC(C(F)CI)InChI=1S/C3H6FIO/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=FVBQMFMFJMTVNH-UHFFFAOYSA-N184.4Ex 184.43(BP est) -25.55(MP est) ----(BP exp) ----(MP exp) OC(C(F)CI) -25.6PredN
OC(I)(CCF)10903203.983C3H6FIO3-fluoro-1-iodopropan-1-olN126OC(I)(CCF)InChI=1S/C3H6FIO/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=AXPNXXFWMJQABM-UHFFFAOYSA-N177.7Ex 177.72(BP est) -27.50(MP est) ----(BP exp) ----(MP exp) OC(I)(CCF) -27.5PredN
OC(C(I)CF)10904203.983C3H6FIO3-fluoro-2-iodopropan-1-olN126OC(C(I)CF)InChI=1S/C3H6FIO/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=LJLIUTYYJCIZLT-UHFFFAOYSA-N184.4Ex 184.43(BP est) -25.55(MP est) ----(BP exp) ----(MP exp) OC(C(I)CF) -25.6PredN
OC(CC(F)I)10905203.983C3H6FIO3-fluoro-3-iodopropan-1-olN126OC(CC(F)I)InChI=1S/C3H6FIO/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=ZLWRLFJFEFYGBF-UHFFFAOYSA-N184.4Ex 184.43(BP est) -25.55(MP est) ----(BP exp) ----(MP exp) OC(CC(F)I) -25.6PredN
NNC(F)(I)(C)10906203.987C2H6FIN2(1-fluoro-1-iodoethyl)hydrazineN126NNC(F)(I)(C)InChI=1S/C2H6FIN2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=RSHWBYFOKJLCME-UHFFFAOYSA-N171.5Ex 171.48(BP est) 11.30(MP est) ----(BP exp) ----(MP exp) NNC(F)(I)(C) 11.3PredN
NNC(F)(CI)10907203.987C2H6FIN2(1-fluoro-2-iodoethyl)hydrazineN126NNC(F)(CI)InChI=1S/C2H6FIN2/c3-2(1-4)6-5/h2,6H,1,5H2InChIKey=SZVVCLFTXWSTIC-UHFFFAOYSA-N179.8Ex 179.80(BP est) 5.02(MP est) ----(BP exp) ----(MP exp) NNC(F)(CI) 5PredN
NNC(I)(CF)10908203.987C2H6FIN2(2-fluoro-1-iodoethyl)hydrazineN126NNC(I)(CF)InChI=1S/C2H6FIN2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=CBZPWIYJBBRWNY-UHFFFAOYSA-N179.8Ex 179.80(BP est) 5.02(MP est) ----(BP exp) ----(MP exp) NNC(I)(CF) 5PredN
NNC(C(F)I)10909203.987C2H6FIN2(2-fluoro-2-iodoethyl)hydrazineN126NNC(C(F)I)InChI=1S/C2H6FIN2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=ODQCYMCFTRVBIX-UHFFFAOYSA-N179.8Ex 179.80(BP est) 5.02(MP est) ----(BP exp) ----(MP exp) NNC(C(F)I) 5PredN
CN(C(F)(I))N10910203.987C2H6FIN21-(fluoroiodomethyl)-1-methylhydrazineN126CN(C(F)(I))NInChI=1S/C2H6FIN2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=XTIRSNCYEVHVDL-UHFFFAOYSA-N160.8Ex 160.76(BP est) -10.64(MP est) ----(BP exp) ----(MP exp) CN(C(F)(I))N -10.6PredN
CNNC(F)(I)10911203.987C2H6FIN21-(fluoroiodomethyl)-2-methylhydrazineN126CNNC(F)(I)InChI=1S/C2H6FIN2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=OLNNEBVMARSQQH-UHFFFAOYSA-N163.3Ex 163.25(BP est) -15.11(MP est) ----(BP exp) ----(MP exp) CNNC(F)(I) -15.1PredN
C(I)N(C(F))N10912203.987C2H6FIN21-(fluoromethyl)-1-(iodomethyl)hydrazineN126C(I)N(C(F))NInChI=1S/C2H6FIN2/c3-1-6(5)2-4/h1-2,5H2InChIKey=BKAGBBCAUKJBJJ-UHFFFAOYSA-N173.6Ex 173.63(BP est) 0.62(MP est) ----(BP exp) ----(MP exp) C(I)N(C(F))N 0.6PredN
C(I)NNC(F)10913203.987C2H6FIN21-(fluoromethyl)-2-(iodomethyl)hydrazineN126C(I)NNC(F)InChI=1S/C2H6FIN2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=IJMWEGIWWFMDDH-UHFFFAOYSA-N176.1Ex 176.06(BP est) -3.88(MP est) ----(BP exp) ----(MP exp) C(I)NNC(F) -3.9PredN
FC1(I)CS110914204.001C2H2FIS2-fluoro-2-iodothiiraneN75FC1(I)CS1InChI=1S/C2H2FIS/c3-2(4)1-5-2/h1H2InChIKey=XBXZMLMQBJWAMC-UHFFFAOYSA-N147.2Ex 147.16(BP est) -5.33(MP est) ----(BP exp) ----(MP exp) FC1(I)CS1 -5.3PredN
IC1C(F)S110915204.001C2H2FIS2-fluoro-3-iodothiiraneN75IC1C(F)S1InChI=1S/C2H2FIS/c3-1-2(4)5-1/h1-2HInChIKey=LTWSDBVUZQNELM-UHFFFAOYSA-N152.4Ex 152.41(BP est) -17.87(MP est) ----(BP exp) ----(MP exp) IC1C(F)S1 -17.9PredN
C(=O)C(Cl)(I)10918204.391C2H2ClIO2-chloro-2-iodoacetaldehydeN75C(=O)C(Cl)(I)InChI=1S/C2H2ClIO/c3-2(4)1-5/h1-2HInChIKey=XOITZAMRQRDGCL-UHFFFAOYSA-N180.8Ex 180.81(BP est) -26.98(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(I) -27PredN
ClC1(I)CO110919204.391C2H2ClIO2-chloro-2-iodooxiraneN75ClC1(I)CO1InChI=1S/C2H2ClIO/c3-2(4)1-5-2/h1H2InChIKey=SUHHHEQLTKDMFZ-UHFFFAOYSA-N147.2Ex 147.23(BP est) -16.08(MP est) ----(BP exp) ----(MP exp) ClC1(I)CO1 -16.1PredN
ClC1C(I)O110920204.391C2H2ClIO2-chloro-3-iodooxiraneN75ClC1C(I)O1InChI=1S/C2H2ClIO/c3-1-2(4)5-1/h1-2HInChIKey=CUAHHTDDXKNXEU-UHFFFAOYSA-N164.3Ex 164.30(BP est) -25.17(MP est) ----(BP exp) ----(MP exp) ClC1C(I)O1 -25.2PredN
CCC(I)Cl10921204.435C3H6ClI1-chloro-1-iodopropaneN115CCC(I)ClInChI=1S/C3H6ClI/c1-2-3(4)5/h3H,2H2,1H3InChIKey=WYAIPSVWQDMTAJ-UHFFFAOYSA-N147.9Ex 147.87(BP est) -51.96(MP est) ----(BP exp) ----(MP exp) CCC(I)Cl -52PredN
CC(CCl)I10922204.435C3H6ClI1-chloro-2-iodopropaneN115CC(CCl)IInChI=1S/C3H6ClI/c1-3(5)2-4/h3H,2H2,1H3InChIKey=HIIXIJLSJDDFPI-UHFFFAOYSA-N159.8Ex 159.83(BP est) -48.47(MP est) ----(BP exp) ----(MP exp) CC(CCl)I -48.5PredN
C(Cl)(CCI)10923204.435C3H6ClI1-chloro-3-iodopropaneN115C(Cl)(CCI)InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2InChIKey=SFOYQZYQTQDRIY-UHFFFAOYSA-N170.0Ex 172.72(BP est) -37.21(MP est) 171.00(BP exp) ----(MP exp) C(Cl)(CCI) -37.2PredY(Laturnus 2001)
CC(CI)Cl10924204.435C3H6ClI2-chloro-1-iodopropaneN115CC(CI)ClInChI=1S/C3H6ClI/c1-3(4)2-5/h3H,2H2,1H3InChIKey=HHVHGJSEBXCVJM-UHFFFAOYSA-N147.9Ex 147.87(BP est) -51.96(MP est) ----(BP exp) ----(MP exp) CC(CI)Cl -52PredN
CC(I)(C)Cl10925204.435C3H6ClI2-chloro-2-iodopropaneN115CC(I)(C)ClInChI=1S/C3H6ClI/c1-3(2,4)5/h1-2H3InChIKey=OBTWQRXFHMTWQS-UHFFFAOYSA-N126.6Ex 126.64(BP est) -49.45(MP est) ----(BP exp) ----(MP exp) CC(I)(C)Cl -49.5PredN
NOC(Br)Br10926204.849CH3Br2NOO-(dibromomethyl)hydroxylamineN85NOC(Br)BrInChI=1S/CH3Br2NO/c2-1(3)5-4/h1H,4H2InChIKey=RZZRAAKEJJYJTP-UHFFFAOYSA-N176.7Ex 176.71(BP est) 13.74(MP est) ----(BP exp) ----(MP exp) NOC(Br)Br 13.7PredN
IC1C(F)(F)N110928204.946C2H2F2IN2,2-difluoro-3-iodoaziridineN86IC1C(F)(F)N1InChI=1S/C2H2F2IN/c3-2(4)1(5)6-2/h1,6HInChIKey=DJSRRRWCFCJAHR-UHFFFAOYSA-N139.6Ex 139.64(BP est) 4.44(MP est) ----(BP exp) ----(MP exp) IC1C(F)(F)N1 4.4PredN
FC1C(F)(I)N110929204.946C2H2F2IN2,3-difluoro-2-iodoaziridineN86FC1C(F)(I)N1InChI=1S/C2H2F2IN/c3-1-2(4,5)6-1/h1,6HInChIKey=CDNHGULTTXZWLK-UHFFFAOYSA-N139.6Ex 139.64(BP est) 4.44(MP est) ----(BP exp) ----(MP exp) FC1C(F)(I)N1 4.4PredN
NCOC(F)(I)10930204.971C2H5FINO(fluoroiodomethoxy)methanamineN116NCOC(F)(I)InChI=1S/C2H5FINO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=CBEHBYFBELGTIP-UHFFFAOYSA-N162.2Ex 162.20(BP est) -15.34(MP est) ----(BP exp) ----(MP exp) NCOC(F)(I) -15.3PredN
NC(I)OC(F)10931204.971C2H5FINO(fluoromethoxy)iodomethanamineN116NC(I)OC(F)InChI=1S/C2H5FINO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=HJXJPKUBMFCKBW-UHFFFAOYSA-N162.2Ex 162.20(BP est) -15.34(MP est) ----(BP exp) ----(MP exp) NC(I)OC(F) -15.3PredN
NCC(O)(F)(I)10932204.971C2H5FINO2-amino-1-fluoro-1-iodoethan-1-olN116NCC(O)(F)(I)InChI=1S/C2H5FINO/c3-2(4,6)1-5/h6H,1,5H2InChIKey=GCNOAVPAZGAZAW-UHFFFAOYSA-N193.9Ex 193.92(BP est) 21.93(MP est) ----(BP exp) ----(MP exp) NCC(O)(F)(I) 21.9PredN
NC(I)C(O)(F)10933204.971C2H5FINO2-amino-1-fluoro-2-iodoethan-1-olN116NC(I)C(O)(F)InChI=1S/C2H5FINO/c3-1(6)2(4)5/h1-2,6H,5H2InChIKey=XNSFSHFUENURBE-UHFFFAOYSA-N199.1Ex 199.14(BP est) 7.24(MP est) ----(BP exp) ----(MP exp) NC(I)C(O)(F) 7.2PredN
NC(F)C(O)(I)10934204.971C2H5FINO2-amino-2-fluoro-1-iodoethan-1-olN116NC(F)C(O)(I)InChI=1S/C2H5FINO/c3-1(5)2(4)6/h1-2,6H,5H2InChIKey=ZTSJIRBSCXWPMC-UHFFFAOYSA-N199.1Ex 199.14(BP est) 7.24(MP est) ----(BP exp) ----(MP exp) NC(F)C(O)(I) 7.2PredN
NC(F)(I)C(O)10935204.971C2H5FINO2-amino-2-fluoro-2-iodoethan-1-olN116NC(F)(I)C(O)InChI=1S/C2H5FINO/c3-2(4,5)1-6/h6H,1,5H2InChIKey=OWDKXTKOGMNMOA-UHFFFAOYSA-N209.6Ex 209.59(BP est) 26.50(MP est) ----(BP exp) ----(MP exp) NC(F)(I)C(O) 26.5PredN
NC(F)OC(I)10936204.971C2H5FINOfluoro(iodomethoxy)methanamineN116NC(F)OC(I)InChI=1S/C2H5FINO/c3-2(5)6-1-4/h2H,1,5H2InChIKey=TVLVEWSYIUTXSU-UHFFFAOYSA-N162.2Ex 162.20(BP est) -15.34(MP est) ----(BP exp) ----(MP exp) NC(F)OC(I) -15.3PredN
NC(F)(I)OC10937204.971C2H5FINOfluoroiodo(methoxy)methanamineN116NC(F)(I)OCInChI=1S/C2H5FINO/c1-6-2(3,4)5/h5H2,1H3InChIKey=XUSHEJCRMHACTA-UHFFFAOYSA-N153.6Ex 153.59(BP est) -9.14(MP est) ----(BP exp) ----(MP exp) NC(F)(I)OC -9.1PredN
FC(I)(C)NO10938204.971C2H5FINON-(1-fluoro-1-iodoethyl)hydroxylamineN116FC(I)(C)NOInChI=1S/C2H5FINO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=PLHOVRWEFNUQBK-UHFFFAOYSA-N208.7Ex 208.68(BP est) 10.94(MP est) ----(BP exp) ----(MP exp) FC(I)(C)NO 10.9PredN
FC(I)N(O)C10939204.971C2H5FINON-(fluoroiodomethyl)-N-methylhydroxylamineN116FC(I)N(O)CInChI=1S/C2H5FINO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=LVEXGPMFBVBXDV-UHFFFAOYSA-N259.2Ex 259.16(BP est) 29.95(MP est) ----(BP exp) ----(MP exp) FC(I)N(O)C 30PredN
FC(I)NOC10940204.971C2H5FINON-(fluoroiodomethyl)-O-methylhydroxylamineN116FC(I)NOCInChI=1S/C2H5FINO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=XPFFKAYISWCCRM-UHFFFAOYSA-N145.1Ex 145.07(BP est) -35.64(MP est) ----(BP exp) ----(MP exp) FC(I)NOC -35.6PredN
FCNOCI10941204.971C2H5FINON-(fluoromethyl)-O-(iodomethyl)hydroxylamineN116FCNOCIInChI=1S/C2H5FINO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=NVBPGOLZNIVTLB-UHFFFAOYSA-N158.3Ex 158.32(BP est) -24.27(MP est) ----(BP exp) ----(MP exp) FCNOCI -24.3PredN
NOC(I)(C)F10942204.971C2H5FINOO-(1-fluoro-1-iodoethyl)hydroxylamineN116NOC(I)(C)FInChI=1S/C2H5FINO/c1-2(3,4)6-5/h5H2,1H3InChIKey=MBTDILFRDFMSKT-UHFFFAOYSA-N153.6Ex 153.59(BP est) -9.14(MP est) ----(BP exp) ----(MP exp) NOC(I)(C)F -9.1PredN
NOC(CI)F10943204.971C2H5FINOO-(1-fluoro-2-iodoethyl)hydroxylamineN116NOC(CI)FInChI=1S/C2H5FINO/c3-2(1-4)6-5/h2H,1,5H2InChIKey=SNYRPPXUKIOLSW-UHFFFAOYSA-N162.2Ex 162.20(BP est) -15.34(MP est) ----(BP exp) ----(MP exp) NOC(CI)F -15.3PredN
NOC(CF)I10944204.971C2H5FINOO-(2-fluoro-1-iodoethyl)hydroxylamineN116NOC(CF)IInChI=1S/C2H5FINO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=WTDGHZPEVGWPND-UHFFFAOYSA-N162.2Ex 162.20(BP est) -15.34(MP est) ----(BP exp) ----(MP exp) NOC(CF)I -15.3PredN
NOCC(I)F10945204.971C2H5FINOO-(2-fluoro-2-iodoethyl)hydroxylamineN116NOCC(I)FInChI=1S/C2H5FINO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=SDLKHYCUAPQCHU-UHFFFAOYSA-N162.2Ex 162.20(BP est) -15.34(MP est) ----(BP exp) ----(MP exp) NOCC(I)F -15.3PredN
CNOC(I)F10946204.971C2H5FINOO-(fluoroiodomethyl)-N-methylhydroxylamineN116CNOC(I)FInChI=1S/C2H5FINO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=FUOJFJALDDDJQU-UHFFFAOYSA-N145.1Ex 145.07(BP est) -35.64(MP est) ----(BP exp) ----(MP exp) CNOC(I)F -35.6PredN
ICNOCF10947204.971C2H5FINOO-(fluoromethyl)-N-(iodomethyl)hydroxylamineN116ICNOCFInChI=1S/C2H5FINO/c3-1-6-5-2-4/h5H,1-2H2InChIKey=PXCBYIALKUFJTO-UHFFFAOYSA-N158.3Ex 158.32(BP est) -24.27(MP est) ----(BP exp) ----(MP exp) ICNOCF -24.3PredN
NC(Cl)(I)(C)10948205.423C2H5ClIN1-chloro-1-iodoethan-1-amineN105NC(Cl)(I)(C)InChI=1S/C2H5ClIN/c1-2(3,4)5/h5H2,1H3InChIKey=LCKDNXPQJSKMFI-UHFFFAOYSA-N163.4Ex 163.39(BP est) -2.73(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)(C) -2.7PredN
CNC(Cl)(I)10949205.423C2H5ClIN1-chloro-1-iodo-N-methylmethanamineN105CNC(Cl)(I)InChI=1S/C2H5ClIN/c1-5-2(3)4/h2,5H,1H3InChIKey=DNCVZMZYOTUWTL-UHFFFAOYSA-N166.8Ex 166.79(BP est) -25.75(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(I) -25.8PredN
NC(Cl)(CI)10950205.423C2H5ClIN1-chloro-2-iodoethan-1-amineN105NC(Cl)(CI)InChI=1S/C2H5ClIN/c3-2(5)1-4/h2H,1,5H2InChIKey=LBQZLKQAJQSKNL-UHFFFAOYSA-N183.2Ex 183.22(BP est) -5.65(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CI) -5.7PredN
C(Cl)NC(I)10951205.423C2H5ClIN1-chloro-N-(iodomethyl)methanamineN105C(Cl)NC(I)InChI=1S/C2H5ClIN/c3-1-5-2-4/h5H,1-2H2InChIKey=SFLLUFXIXVYTMG-UHFFFAOYSA-N190.7Ex 190.74(BP est) -11.26(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(I) -11.3PredN
NC(I)(CCl)10952205.423C2H5ClIN2-chloro-1-iodoethan-1-amineN105NC(I)(CCl)InChI=1S/C2H5ClIN/c3-1-2(4)5/h2H,1,5H2InChIKey=ZFDDAGUDSGSDJD-UHFFFAOYSA-N194.4Ex 194.37(BP est) -2.40(MP est) ----(BP exp) ----(MP exp) NC(I)(CCl) -2.4PredN
NC(C(Cl)I)10953205.423C2H5ClIN2-chloro-2-iodoethan-1-amineN105NC(C(Cl)I)InChI=1S/C2H5ClIN/c3-2(4)1-5/h2H,1,5H2InChIKey=YLGDLIPPFHCBAC-UHFFFAOYSA-N183.2Ex 183.22(BP est) -5.65(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)I) -5.7PredN
BrC(P)Br10956205.817CH3Br2P(dibromomethyl)phosphaneN74BrC(P)BrInChI=1S/CH3Br2P/c2-1(3)4/h1H,4H2InChIKey=UZYVCPJTSNLBQL-UHFFFAOYSA-N151.9Ex 151.87(BP est) -30.57(MP est) ----(BP exp) ----(MP exp) BrC(P)Br -30.6PredN
C(C(Br)(Br)F)10957205.852C2H3Br2F1,1-dibromo-1-fluoroethaneN85C(C(Br)(Br)F)InChI=1S/C2H3Br2F/c1-2(3,4)5/h1H3InChIKey=FYKKKKYVNIIUFL-UHFFFAOYSA-N110.1Ex 110.08(BP est) -43.82(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Br)F) -43.8PredN
C(F)(C(Br)Br)10958205.852C2H3Br2F1,1-dibromo-2-fluoroethaneN85C(F)(C(Br)Br)InChI=1S/C2H3Br2F/c3-2(4)1-5/h2H,1H2InChIKey=LLSYRHQTOQPACR-UHFFFAOYSA-N119.4Ex 119.38(BP est) -49.81(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)Br) -49.8PredN
C(Br)(C(Br)F)10959205.852C2H3Br2F1,2-dibromo-1-fluoroethaneN85C(Br)(C(Br)F)InChI=1S/C2H3Br2F/c3-1-2(4)5/h2H,1H2InChIKey=MZYSDQJCGXPRJB-UHFFFAOYSA-N119.4Ex 119.38(BP est) -49.81(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)F) -49.8PredN
SC(Br)(Br)10960205.895CH2Br2SdibromomethanethiolN64SC(Br)(Br)InChI=1S/CH2Br2S/c2-1(3)4/h1,4HInChIKey=CIERSKHSTFGCSA-UHFFFAOYSA-N172.0Ex 172.00(BP est) -22.15(MP est) ----(BP exp) ----(MP exp) SC(Br)(Br) -22.2PredN
O=PC(F)I10961205.895CHFIOP(fluoroiodomethyl)(oxo)phosphaneN65O=PC(F)IInChI=1S/CHFIOP/c2-1(3)5-4/h1HInChIKey=ZCXQKAGNEYAPQT-UHFFFAOYSA-N158.5Ex 158.51(BP est) -41.61(MP est) ----(BP exp) ----(MP exp) O=PC(F)I -41.6PredN
O=P(CI)O10962205.919CH4IO2P(iodomethyl)phosphinic acidN95O=P(CI)OInChI=1S/CH4IO2P/c2-1-5(3)4/h5H,1H2,(H,3,4)InChIKey=QJISEFAXFSQIOX-UHFFFAOYSA-N253.9Ex 253.93(BP est) 15.68(MP est) ----(BP exp) ----(MP exp) O=P(CI)O 15.7PredN
C(=O)C(F)(F)(I)10963205.93C2HF2IO2,2-difluoro-2-iodoacetaldehydeN76C(=O)C(F)(F)(I)InChI=1S/C2HF2IO/c3-2(4,5)1-6/h1HInChIKey=FHAXATXHTSZFFZ-UHFFFAOYSA-N129.9Ex 129.90(BP est) -47.51(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(F)(I) -47.5PredN
IC1C(F)(F)O110964205.93C2HF2IO2,2-difluoro-3-iodooxiraneN76IC1C(F)(F)O1InChI=1S/C2HF2IO/c3-2(4)1(5)6-2/h1HInChIKey=TVIKOCYOFDLTOR-UHFFFAOYSA-N108.6Ex 108.64(BP est) -43.84(MP est) ----(BP exp) ----(MP exp) IC1C(F)(F)O1 -43.8PredN
FC1C(F)(I)O110965205.93C2HF2IO2,3-difluoro-2-iodooxiraneN76FC1C(F)(I)O1InChI=1S/C2HF2IO/c3-1-2(4,5)6-1/h1HInChIKey=MWVTWBNWFBNCBX-UHFFFAOYSA-N108.6Ex 108.64(BP est) -43.84(MP est) ----(BP exp) ----(MP exp) FC1C(F)(I)O1 -43.8PredN
PC(C)(F)I10966205.939C2H5FIP(1-fluoro-1-iodoethyl)phosphaneN105PC(C)(F)IInChI=1S/C2H5FIP/c1-2(3,4)5/h5H2,1H3InChIKey=QZSJLEGWTGVNRH-UHFFFAOYSA-N127.6Ex 127.61(BP est) -53.78(MP est) ----(BP exp) ----(MP exp) PC(C)(F)I -53.8PredN
PC(F)CI10967205.939C2H5FIP(1-fluoro-2-iodoethyl)phosphaneN105PC(F)CIInChI=1S/C2H5FIP/c3-2(5)1-4/h2H,1,5H2InChIKey=MLUBZNATVZEBJG-UHFFFAOYSA-N136.7Ex 136.65(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) PC(F)CI -59.9PredN
PC(I)CF10968205.939C2H5FIP(2-fluoro-1-iodoethyl)phosphaneN105PC(I)CFInChI=1S/C2H5FIP/c3-1-2(4)5/h2H,1,5H2InChIKey=NQVAGHBWHXXRGA-UHFFFAOYSA-N136.7Ex 136.65(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) PC(I)CF -59.9PredN
PCC(F)I10969205.939C2H5FIP(2-fluoro-2-iodoethyl)phosphaneN105PCC(F)IInChI=1S/C2H5FIP/c3-2(4)1-5/h2H,1,5H2InChIKey=WUHLPJKHXYQBOF-UHFFFAOYSA-N136.7Ex 136.65(BP est) -59.86(MP est) ----(BP exp) ----(MP exp) PCC(F)I -59.9PredN
CPC(F)I10970205.939C2H5FIP(fluoroiodomethyl)(methyl)phosphaneN105CPC(F)IInChI=1S/C2H5FIP/c1-5-2(3)4/h2,5H,1H3InChIKey=UFMRAAFUMPDJPA-UHFFFAOYSA-N116.9Ex 116.89(BP est) -73.81(MP est) ----(BP exp) ----(MP exp) CPC(F)I -73.8PredN
ICPCF10971205.939C2H5FIP(fluoromethyl)(iodomethyl)phosphaneN105ICPCFInChI=1S/C2H5FIP/c3-1-5-2-4/h5H,1-2H2InChIKey=MQJLHHFCBVFGEM-UHFFFAOYSA-N130.8Ex 130.82(BP est) -62.24(MP est) ----(BP exp) ----(MP exp) ICPCF -62.2PredN
OCOC(F)(I)10972205.955C2H4FIO2(fluoroiodomethoxy)methanolN106OCOC(F)(I)InChI=1S/C2H4FIO2/c3-2(4)6-1-5/h2,5H,1H2InChIKey=XVQZLZLMFKIRQB-UHFFFAOYSA-N185.2Ex 185.23(BP est) -19.83(MP est) ----(BP exp) ----(MP exp) OCOC(F)(I) -19.8PredN
OC(I)OC(F)10973205.955C2H4FIO2(fluoromethoxy)iodomethanolN106OC(I)OC(F)InChI=1S/C2H4FIO2/c3-1-6-2(4)5/h2,5H,1H2InChIKey=SNQVWOXJOAYLLH-UHFFFAOYSA-N178.5Ex 178.53(BP est) -21.79(MP est) ----(BP exp) ----(MP exp) OC(I)OC(F) -21.8PredN
OC(F)OC(I)10974205.955C2H4FIO2fluoro(iodomethoxy)methanolN106OC(F)OC(I)InChI=1S/C2H4FIO2/c3-2(5)6-1-4/h2,5H,1H2InChIKey=WNYBMNGGRXYTMB-UHFFFAOYSA-N178.5Ex 178.53(BP est) -21.79(MP est) ----(BP exp) ----(MP exp) OC(F)OC(I) -21.8PredN
OC(F)(I)OC10975205.955C2H4FIO2fluoroiodo(methoxy)methanolN106OC(F)(I)OCInChI=1S/C2H4FIO2/c1-6-2(3,4)5/h5H,1H3InChIKey=QDRIZZGWTKJYQF-UHFFFAOYSA-N160.2Ex 160.19(BP est) -18.43(MP est) ----(BP exp) ----(MP exp) OC(F)(I)OC -18.4PredN
C(CC(F)(F)I)10976205.974C3H5F2I1,1-difluoro-1-iodopropaneN116C(CC(F)(F)I)InChI=1S/C3H5F2I/c1-2-3(4,5)6/h2H2,1H3InChIKey=DYRIOYJAEOHQFM-UHFFFAOYSA-N93.7Ex 93.73(BP est) -73.43(MP est) ----(BP exp) ----(MP exp) C(CC(F)(F)I) -73.4PredN
C(C(I)C(F)F)10977205.974C3H5F2I1,1-difluoro-2-iodopropaneN116C(C(I)C(F)F)InChI=1S/C3H5F2I/c1-2(6)3(4)5/h2-3H,1H3InChIKey=RHNXTTLZTLLEFC-UHFFFAOYSA-N88.7Ex 88.70(BP est) -91.11(MP est) ----(BP exp) ----(MP exp) C(C(I)C(F)F) -91.1PredN
C(I)(CC(F)F)10978205.974C3H5F2I1,1-difluoro-3-iodopropaneN116C(I)(CC(F)F)InChI=1S/C3H5F2I/c4-3(5)1-2-6/h3H,1-2H2InChIKey=YLWRAMNTZDXAER-UHFFFAOYSA-N103.3Ex 103.27(BP est) -79.36(MP est) ----(BP exp) ----(MP exp) C(I)(CC(F)F) -79.4PredN
C(C(F)C(F)I)10979205.974C3H5F2I1,2-difluoro-1-iodopropaneN116C(C(F)C(F)I)InChI=1S/C3H5F2I/c1-2(4)3(5)6/h2-3H,1H3InChIKey=YBTNICKGRVVKQZ-UHFFFAOYSA-N88.7Ex 88.70(BP est) -91.11(MP est) ----(BP exp) ----(MP exp) C(C(F)C(F)I) -91.1PredN
C(C(F)(I)CF)10980205.974C3H5F2I1,2-difluoro-2-iodopropaneN116C(C(F)(I)CF)InChI=1S/C3H5F2I/c1-3(5,6)2-4/h2H2,1H3InChIKey=KVZJKCVJSHLUIR-UHFFFAOYSA-N93.7Ex 93.73(BP est) -73.43(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)CF) -73.4PredN
C(I)(C(F)CF)10981205.974C3H5F2I1,2-difluoro-3-iodopropaneN116C(I)(C(F)CF)InChI=1S/C3H5F2I/c4-1-3(5)2-6/h3H,1-2H2InChIKey=OXJKTRSIQQBVAU-UHFFFAOYSA-N103.3Ex 103.27(BP est) -79.36(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)CF) -79.4PredN
C(F)(CC(F)I)10982205.974C3H5F2I1,3-difluoro-1-iodopropaneN116C(F)(CC(F)I)InChI=1S/C3H5F2I/c4-2-1-3(5)6/h3H,1-2H2InChIKey=DHORJOCSBWFAAV-UHFFFAOYSA-N103.3Ex 103.27(BP est) -79.36(MP est) ----(BP exp) ----(MP exp) C(F)(CC(F)I) -79.4PredN
C(F)(C(I)CF)10983205.974C3H5F2I1,3-difluoro-2-iodopropaneN116C(F)(C(I)CF)InChI=1S/C3H5F2I/c4-1-3(6)2-5/h3H,1-2H2InChIKey=KWGACPKPUJYFKZ-UHFFFAOYSA-N103.3Ex 103.27(BP est) -79.36(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)CF) -79.4PredN
C(C(F)(F)CI)10984205.974C3H5F2I2,2-difluoro-1-iodopropaneN116C(C(F)(F)CI)InChI=1S/C3H5F2I/c1-3(4,5)2-6/h2H2,1H3InChIKey=AQKRYWCLIFTFMY-UHFFFAOYSA-N93.7Ex 93.73(BP est) -73.43(MP est) ----(BP exp) ----(MP exp) C(C(F)(F)CI) -73.4PredN
CSC(F)(I)10985206.017C2H4FIS(fluoroiodomethyl)(methyl)sulfaneN95CSC(F)(I)InChI=1S/C2H4FIS/c1-5-2(3)4/h2H,1H3InChIKey=SUYIINFMWPFBBR-UHFFFAOYSA-N144.1Ex 144.13(BP est) -56.16(MP est) ----(BP exp) ----(MP exp) CSC(F)(I) -56.2PredN
C(I)SC(F)10986206.017C2H4FIS(fluoromethyl)(iodomethyl)sulfaneN95C(I)SC(F)InChI=1S/C2H4FIS/c3-1-5-2-4/h1-2H2InChIKey=JPBMEMYPCIYTEZ-UHFFFAOYSA-N157.4Ex 157.41(BP est) -44.78(MP est) ----(BP exp) ----(MP exp) C(I)SC(F) -44.8PredN
SC(F)(I)(C)10987206.017C2H4FIS1-fluoro-1-iodoethane-1-thiolN95SC(F)(I)(C)InChI=1S/C2H4FIS/c1-2(3,4)5/h5H,1H3InChIKey=QSNAZZMCQMLWHX-UHFFFAOYSA-N148.7Ex 148.65(BP est) -45.10(MP est) ----(BP exp) ----(MP exp) SC(F)(I)(C) -45.1PredN
SC(F)(CI)10988206.017C2H4FIS1-fluoro-2-iodoethane-1-thiolN95SC(F)(CI)InChI=1S/C2H4FIS/c3-2(5)1-4/h2,5H,1H2InChIKey=PSZWAJJUHCKAAP-UHFFFAOYSA-N157.4Ex 157.35(BP est) -51.27(MP est) ----(BP exp) ----(MP exp) SC(F)(CI) -51.3PredN
SC(I)(CF)10989206.017C2H4FIS2-fluoro-1-iodoethane-1-thiolN95SC(I)(CF)InChI=1S/C2H4FIS/c3-1-2(4)5/h2,5H,1H2InChIKey=LAJAYQBZQQXADA-UHFFFAOYSA-N157.4Ex 157.35(BP est) -51.27(MP est) ----(BP exp) ----(MP exp) SC(I)(CF) -51.3PredN
SC(C(F)I)10990206.017C2H4FIS2-fluoro-2-iodoethane-1-thiolN95SC(C(F)I)InChI=1S/C2H4FIS/c3-2(4)1-5/h2,5H,1H2InChIKey=NROUCWWEXWMJBG-UHFFFAOYSA-N157.4Ex 157.35(BP est) -51.27(MP est) ----(BP exp) ----(MP exp) SC(C(F)I) -51.3PredN
C(I)=C(Cl)(F)10991206.383C2HClFI1-chloro-1-fluoro-2-iodoetheneN65C(I)=C(Cl)(F)InChI=1S/C2HClFI/c3-2(4)1-5/h1HInChIKey=YFEDBHJTBFWUHV-UHFFFAOYSA-N127.6Ex 127.63(BP est) -65.23(MP est) ----(BP exp) ----(MP exp) C(I)=C(Cl)(F) -65.2PredN
C(F)=C(Cl)(I)10992206.383C2HClFI1-chloro-2-fluoro-1-iodoetheneN65C(F)=C(Cl)(I)InChI=1S/C2HClFI/c3-2(5)1-4/h1HInChIKey=XAGBGWZUEJHYMJ-UHFFFAOYSA-N127.6Ex 127.63(BP est) -65.23(MP est) ----(BP exp) ----(MP exp) C(F)=C(Cl)(I) -65.2PredN
C(Cl)=C(F)(I)10993206.383C2HClFI2-chloro-1-fluoro-1-iodoetheneN65C(Cl)=C(F)(I)InChI=1S/C2HClFI/c3-1-2(4)5/h1HInChIKey=BBTITWXKDAJEIE-UHFFFAOYSA-N127.6Ex 127.63(BP est) -65.23(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(F)(I) -65.2PredN
OC(Cl)(I)(C)10994206.407C2H4ClIO1-chloro-1-iodoethan-1-olN95OC(Cl)(I)(C)InChI=1S/C2H4ClIO/c1-2(3,4)5/h5H,1H3InChIKey=JTRXRYJEEWGROI-UHFFFAOYSA-N169.9Ex 169.87(BP est) -12.06(MP est) ----(BP exp) ----(MP exp) OC(Cl)(I)(C) -12.1PredN
OC(Cl)(CI)10995206.407C2H4ClIO1-chloro-2-iodoethan-1-olN95OC(Cl)(CI)InChI=1S/C2H4ClIO/c3-2(5)1-4/h2,5H,1H2InChIKey=KGBFBXLPHMEBMK-UHFFFAOYSA-N198.9Ex 198.86(BP est) -12.30(MP est) ----(BP exp) ----(MP exp) OC(Cl)(CI) -12.3PredN
OC(I)(CCl)10996206.407C2H4ClIO2-chloro-1-iodoethan-1-olN95OC(I)(CCl)InChI=1S/C2H4ClIO/c3-1-2(4)5/h2,5H,1H2InChIKey=OISQSFHSHVEFDR-UHFFFAOYSA-N209.6Ex 209.63(BP est) -9.16(MP est) ----(BP exp) ----(MP exp) OC(I)(CCl) -9.2PredN
OC(C(Cl)I)10997206.407C2H4ClIO2-chloro-2-iodoethan-1-olN95OC(C(Cl)I)InChI=1S/C2H4ClIO/c3-2(4)1-5/h2,5H,1H2InChIKey=QUCODNYTGMETQF-UHFFFAOYSA-N205.3Ex 205.27(BP est) -10.43(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)I) -10.4PredN
C(Cl)OC(I)10998206.407C2H4ClIOchloro(iodomethoxy)methaneN95C(Cl)OC(I)InChI=1S/C2H4ClIO/c3-1-5-2-4/h1-2H2InChIKey=KWJAQUPDJATRDI-UHFFFAOYSA-N173.5Ex 173.54(BP est) -31.49(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(I) -31.5PredN
COC(I)Cl10999206.407C2H4ClIOchloroiodo(methoxy)methaneN95COC(I)ClInChI=1S/C2H4ClIO/c1-5-2(3)4/h2H,1H3InChIKey=ZUZPAWKRVWJTJX-UHFFFAOYSA-N148.7Ex 148.73(BP est) -46.23(MP est) ----(BP exp) ----(MP exp) COC(I)Cl -46.2PredN
NNC(Cl)(I)11000206.411CH4ClIN2(chloroiodomethyl)hydrazineN95NNC(Cl)(I)InChI=1S/CH4ClIN2/c2-1(3)5-4/h1,5H,4H2InChIKey=WFGDYNRFSLZLGE-UHFFFAOYSA-N200.9Ex 200.85(BP est) 20.19(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(I) 20.2PredN
NC(Br)(Br)(F)11001206.84CH2Br2FNdibromofluoromethanamineN75NC(Br)(Br)(F)InChI=1S/CH2Br2FN/c2-1(3,4)5/h5H2InChIKey=XHVMWDONDGNVKJ-UHFFFAOYSA-N147.9Ex 147.90(BP est) 3.22(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(F) 3.2PredN
CNC(F)(F)(I)11002206.962C2H4F2IN1,1-difluoro-1-iodo-N-methylmethanamineN106CNC(F)(F)(I)InChI=1S/C2H4F2IN/c1-6-2(3,4)5/h6H,1H3InChIKey=ZSHGCRSPGGMSGO-UHFFFAOYSA-N114.5Ex 114.48(BP est) -46.68(MP est) ----(BP exp) ----(MP exp) CNC(F)(F)(I) -46.7PredN
NC(F)(F)(CI)11003206.962C2H4F2IN1,1-difluoro-2-iodoethan-1-amineN106NC(F)(F)(CI)InChI=1S/C2H4F2IN/c3-2(4,6)1-5/h1,6H2InChIKey=BQMHJDIQRGZAPU-UHFFFAOYSA-N132.6Ex 132.56(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) NC(F)(F)(CI) -26.1PredN
C(I)NC(F)(F)11004206.962C2H4F2IN1,1-difluoro-N-(iodomethyl)methanamineN106C(I)NC(F)(F)InChI=1S/C2H4F2IN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=GZWLLTMGQMXVJF-UHFFFAOYSA-N123.7Ex 123.71(BP est) -52.69(MP est) ----(BP exp) ----(MP exp) C(I)NC(F)(F) -52.7PredN
NC(F)(I)(CF)11005206.962C2H4F2IN1,2-difluoro-1-iodoethan-1-amineN106NC(F)(I)(CF)InChI=1S/C2H4F2IN/c3-1-2(4,5)6/h1,6H2InChIKey=ABLZDQYJPJYZRN-UHFFFAOYSA-N132.6Ex 132.56(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(CF) -26.1PredN
NC(F)(C(F)I)11006206.962C2H4F2IN1,2-difluoro-2-iodoethan-1-amineN106NC(F)(C(F)I)InChI=1S/C2H4F2IN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=DBAYZRQOLYIQPX-UHFFFAOYSA-N127.8Ex 127.84(BP est) -43.69(MP est) ----(BP exp) ----(MP exp) NC(F)(C(F)I) -43.7PredN
C(F)NC(F)(I)11007206.962C2H4F2IN1-fluoro-N-(fluoromethyl)-1-iodomethanamineN106C(F)NC(F)(I)InChI=1S/C2H4F2IN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=TVXOLZNUEUSSFF-UHFFFAOYSA-N123.7Ex 123.71(BP est) -52.69(MP est) ----(BP exp) ----(MP exp) C(F)NC(F)(I) -52.7PredN
NC(I)(C(F)F)11008206.962C2H4F2IN2,2-difluoro-1-iodoethan-1-amineN106NC(I)(C(F)F)InChI=1S/C2H4F2IN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=QFAJPDDWACUMHN-UHFFFAOYSA-N127.8Ex 127.84(BP est) -43.69(MP est) ----(BP exp) ----(MP exp) NC(I)(C(F)F) -43.7PredN
NC(C(F)(F)I)11009206.962C2H4F2IN2,2-difluoro-2-iodoethan-1-amineN106NC(C(F)(F)I)InChI=1S/C2H4F2IN/c3-2(4,5)1-6/h1,6H2InChIKey=SKWABWPXSDYKCF-UHFFFAOYSA-N132.6Ex 132.56(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) NC(C(F)(F)I) -26.1PredN
NOC(I)Cl11010207.395CH3ClINOO-(chloroiodomethyl)hydroxylamineN85NOC(I)ClInChI=1S/CH3ClINO/c2-1(3)5-4/h1H,4H2InChIKey=LSLVDGZDNQOZNR-UHFFFAOYSA-N184.0Ex 184.02(BP est) 0.07(MP est) ----(BP exp) ----(MP exp) NOC(I)Cl 0.1PredN
CSSC(Br)(Cl)11012207.528C2H4BrClS21-(bromochloromethyl)-2-methyldisulfaneN106CSSC(Br)(Cl)InChI=1S/C2H4BrClS2/c1-5-6-2(3)4/h2H,1H3InChIKey=OFKWBINAKBAERR-UHFFFAOYSA-N215.5Ex 215.50(BP est) -2.59(MP est) ----(BP exp) ----(MP exp) CSSC(Br)(Cl) -2.6PredN
C(Cl)SSC(Br)11013207.528C2H4BrClS21-(bromomethyl)-2-(chloromethyl)disulfaneN106C(Cl)SSC(Br)InChI=1S/C2H4BrClS2/c3-1-5-6-2-4/h1-2H2InChIKey=RANWLMPLPXNCJZ-UHFFFAOYSA-N237.0Ex 236.95(BP est) 11.18(MP est) ----(BP exp) ----(MP exp) C(Cl)SSC(Br) 11.2PredN
PC(Br)=C(Cl)Cl11015207.816C2H2BrCl2P(1-bromo-2,2-dichlorovinyl)phosphaneN86PC(Br)=C(Cl)ClInChI=1S/C2H2BrCl2P/c3-1(6)2(4)5/h6H2InChIKey=JFMOBEUAWFINJC-UHFFFAOYSA-N176.0Ex 175.98(BP est) -26.88(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(Cl)Cl -26.9PredN
PC(Cl)=C(Br)Cl11016207.816C2H2BrCl2P(2-bromo-1,2-dichlorovinyl)phosphaneN86PC(Cl)=C(Br)ClInChI=1S/C2H2BrCl2P/c3-1(4)2(5)6/h6H2InChIKey=UVOIQDUIIQRBLI-UHFFFAOYSA-N176.0Ex 175.98(BP est) -26.88(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(Br)Cl -26.9PredN
ClC1C(Cl)(Br)P111017207.816C2H2BrCl2P2-bromo-2,3-dichlorophosphiraneN86ClC1C(Cl)(Br)P1InChI=1S/C2H2BrCl2P/c3-2(5)1(4)6-2/h1,6HInChIKey=VDNIQTPSYQSRPT-UHFFFAOYSA-N162.4Ex 162.40(BP est) -1.97(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(Br)P1 -2PredN
BrC1C(Cl)(Cl)P111018207.816C2H2BrCl2P3-bromo-2,2-dichlorophosphiraneN86BrC1C(Cl)(Cl)P1InChI=1S/C2H2BrCl2P/c3-1-2(4,5)6-1/h1,6HInChIKey=NAFBBEBWNAUGGX-UHFFFAOYSA-N150.5Ex 150.54(BP est) -5.43(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(Cl)P1 -5.4PredN
OC(Br)(Br)(F)11019207.824CHBr2FOdibromofluoromethanolN65OC(Br)(Br)(F)InChI=1S/CHBr2FO/c2-1(3,4)5/h5HInChIKey=HXXLUTUWAHDGKK-UHFFFAOYSA-N154.6Ex 154.57(BP est) -6.05(MP est) ----(BP exp) ----(MP exp) OC(Br)(Br)(F) -6.1PredN
C(Br)#C(C#CBr)11020207.852C4Br21,4-dibromobuta-1,3-diyneN66C(Br)#C(C#CBr)InChI=1S/C4Br2/c5-3-1-2-4-6InChIKey=WTNKPRUJYFZQFT-UHFFFAOYSA-N204.4Ex 204.38(BP est) 52.62(MP est) ----(BP exp) ----(MP exp) C(Br)#C(C#CBr) 52.6PredN
ClC1C(Br)(Cl)S111021207.894C2HBrCl2S2-bromo-2,3-dichlorothiiraneN76ClC1C(Br)(Cl)S1InChI=1S/C2HBrCl2S/c3-2(5)1(4)6-2/h1HInChIKey=GLTNWZXJIBAVIU-UHFFFAOYSA-N187.1Ex 187.10(BP est) 21.67(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Cl)S1 21.7PredN
BrC1C(Cl)(Cl)S111022207.894C2HBrCl2S3-bromo-2,2-dichlorothiiraneN76BrC1C(Cl)(Cl)S1InChI=1S/C2HBrCl2S/c3-1-2(4,5)6-1/h1HInChIKey=BNPOJJOFNXTODT-UHFFFAOYSA-N175.8Ex 175.81(BP est) 10.20(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(Cl)S1 10.2PredN
C(F)(I)=C(F)(F)11024207.922C2F3I1,1,2-trifluoro-2-iodoetheneN66C(F)(I)=C(F)(F)InChI=1S/C2F3I/c3-1(4)2(5)6InChIKey=PZVZTKFRZJMHEM-UHFFFAOYSA-N30.0Ex 90.30(BP est) -97.48(MP est) 30.00(BP exp) ----(MP exp) C(F)(I)=C(F)(F) -97.5PredN
C#CPC#CI11025207.938C4H2IPethynyl(iodoethynyl)phosphaneN86C#CPC#CIInChI=1S/C4H2IP/c1-2-6-4-3-5/h1,6HInChIKey=IFSWOKABSOHQFO-UHFFFAOYSA-N194.8Ex 194.81(BP est) 22.02(MP est) ----(BP exp) ----(MP exp) C#CPC#CI 22PredN
OC(F)(F)(CI)11026207.946C2H3F2IO1,1-difluoro-2-iodoethan-1-olN96OC(F)(F)(CI)InChI=1S/C2H3F2IO/c3-2(4,6)1-5/h6H,1H2InChIKey=VVSAKDIJXRJKQE-UHFFFAOYSA-N139.4Ex 139.42(BP est) -35.32(MP est) ----(BP exp) ----(MP exp) OC(F)(F)(CI) -35.3PredN
OC(F)(I)(CF)11027207.946C2H3F2IO1,2-difluoro-1-iodoethan-1-olN96OC(F)(I)(CF)InChI=1S/C2H3F2IO/c3-1-2(4,5)6/h6H,1H2InChIKey=JKCBPDSUQKAOFN-UHFFFAOYSA-N139.4Ex 139.42(BP est) -35.32(MP est) ----(BP exp) ----(MP exp) OC(F)(I)(CF) -35.3PredN
OC(F)(C(F)I)11028207.946C2H3F2IO1,2-difluoro-2-iodoethan-1-olN96OC(F)(C(F)I)InChI=1S/C2H3F2IO/c3-1(5)2(4)6/h1-2,6HInChIKey=RXSOASCTCJNVAA-UHFFFAOYSA-N145.3Ex 145.25(BP est) -49.83(MP est) ----(BP exp) ----(MP exp) OC(F)(C(F)I) -49.8PredN
OC(I)(C(F)F)11029207.946C2H3F2IO2,2-difluoro-1-iodoethan-1-olN96OC(I)(C(F)F)InChI=1S/C2H3F2IO/c3-1(4)2(5)6/h1-2,6HInChIKey=VTVSUWUJWFHDKM-UHFFFAOYSA-N145.3Ex 145.25(BP est) -49.83(MP est) ----(BP exp) ----(MP exp) OC(I)(C(F)F) -49.8PredN
OC(C(F)(F)I)11030207.946C2H3F2IO2,2-difluoro-2-iodoethan-1-olN96OC(C(F)(F)I)InChI=1S/C2H3F2IO/c3-2(4,5)1-6/h6H,1H2InChIKey=BYELXVGPVBZEOS-UHFFFAOYSA-N156.9Ex 156.91(BP est) -30.21(MP est) ----(BP exp) ----(MP exp) OC(C(F)(F)I) -30.2PredN
C(I)OC(F)(F)11031207.946C2H3F2IOdifluoro(iodomethoxy)methaneN96C(I)OC(F)(F)InChI=1S/C2H3F2IO/c3-2(4)6-1-5/h2H,1H2InChIKey=UNYCEIKALWQBON-UHFFFAOYSA-N104.2Ex 104.20(BP est) -73.60(MP est) ----(BP exp) ----(MP exp) C(I)OC(F)(F) -73.6PredN
COC(F)(F)(I)11032207.946C2H3F2IOdifluoroiodo(methoxy)methaneN96COC(F)(F)(I)InChI=1S/C2H3F2IO/c1-6-2(3,4)5/h1H3InChIKey=IAWAZHJZWZFHBE-UHFFFAOYSA-N94.7Ex 94.67(BP est) -67.68(MP est) ----(BP exp) ----(MP exp) COC(F)(F)(I) -67.7PredN
C(F)OC(F)(I)11033207.946C2H3F2IOfluoro(fluoromethoxy)iodomethaneN96C(F)OC(F)(I)InChI=1S/C2H3F2IO/c3-1-6-2(4)5/h2H,1H2InChIKey=RZQBBPRXGPJRPI-UHFFFAOYSA-N104.2Ex 104.20(BP est) -73.60(MP est) ----(BP exp) ----(MP exp) C(F)OC(F)(I) -73.6PredN
NNC(F)(F)(I)11034207.95CH3F2IN2(difluoroiodomethyl)hydrazineN96NNC(F)(F)(I)InChI=1S/CH3F2IN2/c2-1(3,4)6-5/h6H,5H2InChIKey=RIWOMROYSPRMDI-UHFFFAOYSA-N152.0Ex 152.02(BP est) 0.28(MP est) ----(BP exp) ----(MP exp) NNC(F)(F)(I) 0.3PredN
IC#CC1=CS111035208.016C4HIS2-(iodoethynyl)thiireneN76IC#CC1=CS1InChI=1S/C4HIS/c5-2-1-4-3-6-4/h3HInChIKey=ZFZWKJKAMSCWSE-UHFFFAOYSA-N219.1Ex 219.05(BP est) 45.37(MP est) ----(BP exp) ----(MP exp) IC#CC1=CS1 45.4PredN
IC(S1)=C1C#C11036208.016C4HIS2-ethynyl-3-iodothiireneN76IC(S1)=C1C#CInChI=1S/C4HIS/c1-2-3-4(5)6-3/h1HInChIKey=QUIHQXREUFEDNL-UHFFFAOYSA-N210.2Ex 210.22(BP est) 29.85(MP est) ----(BP exp) ----(MP exp) IC(S1)=C1C#C 29.9PredN
BrC(Cl)Br11037208.277CHBr2CldibromochloromethaneN54BrC(Cl)BrInChI=1S/CHBr2Cl/c2-1(3)4/h1HInChIKey=GATVIKZLVQHOMN-UHFFFAOYSA-N97.3Ex 142.99(BP est) -33.89(MP est) 120.00(BP exp) -20.00(MP exp) BrC(Cl)Br -20ExptY(Kladi et al. 2004)
ClC(P)I11038208.363CH3ClIP(chloroiodomethyl)phosphaneN74ClC(P)IInChI=1S/CH3ClIP/c2-1(3)4/h1H,4H2InChIKey=FPQQDZIVOJCDGI-UHFFFAOYSA-N159.6Ex 159.55(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) ClC(P)I -44.1PredN
C(C(Cl)(F)I)11039208.399C2H3ClFI1-chloro-1-fluoro-1-iodoethaneN85C(C(Cl)(F)I)InChI=1S/C2H3ClFI/c1-2(3,4)5/h1H3InChIKey=BFFODRSKIZHREG-UHFFFAOYSA-N105.5Ex 105.52(BP est) -60.96(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(F)I) -61PredN
C(I)(C(Cl)F)11040208.399C2H3ClFI1-chloro-1-fluoro-2-iodoethaneN85C(I)(C(Cl)F)InChI=1S/C2H3ClFI/c3-2(4)1-5/h2H,1H2InChIKey=PKYSBYQCZHERAU-UHFFFAOYSA-N127.5Ex 127.52(BP est) -63.25(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)F) -63.3PredN
C(F)(C(Cl)I)11041208.399C2H3ClFI1-chloro-2-fluoro-1-iodoethaneN85C(F)(C(Cl)I)InChI=1S/C2H3ClFI/c3-2(5)1-4/h2H,1H2InChIKey=DJMBTQBEYZKLPE-UHFFFAOYSA-N127.5Ex 127.52(BP est) -63.25(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)I) -63.3PredN
C(Cl)(C(F)I)11042208.399C2H3ClFI2-chloro-1-fluoro-1-iodoethaneN85C(Cl)(C(F)I)InChI=1S/C2H3ClFI/c3-1-2(4)5/h2H,1H2InChIKey=SKNYAYQEMFJYSJ-UHFFFAOYSA-N139.9Ex 139.92(BP est) -59.63(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)I) -59.6PredN
SC(Cl)(I)11043208.441CH2ClISchloroiodomethanethiolN64SC(Cl)(I)InChI=1S/CH2ClIS/c2-1(3)4/h1,4HInChIKey=HYPDSXSPLWDHFS-UHFFFAOYSA-N179.4Ex 179.38(BP est) -35.81(MP est) ----(BP exp) ----(MP exp) SC(Cl)(I) -35.8PredN
NOC(F)(I)F11045208.934CH2F2INOO-(difluoroiodomethyl)hydroxylamineN86NOC(F)(I)FInChI=1S/CH2F2INO/c2-1(3,4)6-5/h5H2InChIKey=KCOSFIDXRCOUNL-UHFFFAOYSA-N133.4Ex 133.44(BP est) -20.36(MP est) ----(BP exp) ----(MP exp) NOC(F)(I)F -20.4PredN
NC(Cl)(F)(I)11046209.387CH2ClFINchlorofluoroiodomethanamineN75NC(Cl)(F)(I)InChI=1S/CH2ClFIN/c2-1(3,4)5/h5H2InChIKey=ZAFONXDDUJNDPC-UHFFFAOYSA-N143.6Ex 143.62(BP est) -13.84(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(I) -13.8PredN
O=PC(Cl)(Br)Cl11047209.788CBrCl2OP(bromodichloromethyl)(oxo)phosphaneN66O=PC(Cl)(Br)ClInChI=1S/CBrCl2OP/c2-1(3,4)6-5InChIKey=SDTNKTZSYSRKTK-UHFFFAOYSA-N184.4Ex 184.36(BP est) 5.14(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)(Br)Cl 5.1PredN
C(Br)(Br)(F)(F)11048209.816CBr2F2dibromodifluoromethaneN55C(Br)(Br)(F)(F)InChI=1S/CBr2F2/c2-1(3,4)5InChIKey=AZSZCFSOHXEJQE-UHFFFAOYSA-N23.9Ex 88.39(BP est) -55.49(MP est) 25.00(BP exp) -110.10(MP exp) C(Br)(Br)(F)(F) -110.1ExptN
PC(CCl)(Br)Cl11049209.832C2H4BrCl2P(1-bromo-1,2-dichloroethyl)phosphaneN106PC(CCl)(Br)ClInChI=1S/C2H4BrCl2P/c3-2(5,6)1-4/h1,6H2InChIKey=QBOPJJJVGUWFJN-UHFFFAOYSA-N186.5Ex 186.48(BP est) -6.10(MP est) ----(BP exp) ----(MP exp) PC(CCl)(Br)Cl -6.1PredN
PC(Br)C(Cl)Cl11050209.832C2H4BrCl2P(1-bromo-2,2-dichloroethyl)phosphaneN106PC(Br)C(Cl)ClInChI=1S/C2H4BrCl2P/c3-1(6)2(4)5/h1-2H,6H2InChIKey=HUFDZCAQPNZOKI-UHFFFAOYSA-N182.2Ex 182.19(BP est) -23.57(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Cl)Cl -23.6PredN
PC(CBr)(Cl)Cl11051209.832C2H4BrCl2P(2-bromo-1,1-dichloroethyl)phosphaneN106PC(CBr)(Cl)ClInChI=1S/C2H4BrCl2P/c3-1-2(4,5)6/h1,6H2InChIKey=DOLQCIZRMSMAHS-UHFFFAOYSA-N163.6Ex 163.58(BP est) -12.79(MP est) ----(BP exp) ----(MP exp) PC(CBr)(Cl)Cl -12.8PredN
PC(Cl)C(Br)Cl11052209.832C2H4BrCl2P(2-bromo-1,2-dichloroethyl)phosphaneN106PC(Cl)C(Br)ClInChI=1S/C2H4BrCl2P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=BCJDWLQMWIPBNU-UHFFFAOYSA-N182.2Ex 182.19(BP est) -23.57(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(Br)Cl -23.6PredN
PCC(Cl)(Br)Cl11053209.832C2H4BrCl2P(2-bromo-2,2-dichloroethyl)phosphaneN106PCC(Cl)(Br)ClInChI=1S/C2H4BrCl2P/c3-2(4,5)1-6/h1,6H2InChIKey=RENCGYUKFQDFGC-UHFFFAOYSA-N163.6Ex 163.58(BP est) -12.79(MP est) ----(BP exp) ----(MP exp) PCC(Cl)(Br)Cl -12.8PredN
ClCPC(Br)Cl11054209.832C2H4BrCl2P(bromochloromethyl)(chloromethyl)phosphaneN106ClCPC(Br)ClInChI=1S/C2H4BrCl2P/c3-2(5)6-1-4/h2,6H,1H2InChIKey=RDHMLSZZEDIFLO-UHFFFAOYSA-N188.2Ex 188.15(BP est) -22.51(MP est) ----(BP exp) ----(MP exp) ClCPC(Br)Cl -22.5PredN
CPC(Cl)(Cl)Br11055209.832C2H4BrCl2P(bromodichloromethyl)(methyl)phosphaneN106CPC(Cl)(Cl)BrInChI=1S/C2H4BrCl2P/c1-6-2(3,4)5/h6H,1H3InChIKey=XQFYRHLOBGKSLE-UHFFFAOYSA-N144.8Ex 144.77(BP est) -26.46(MP est) ----(BP exp) ----(MP exp) CPC(Cl)(Cl)Br -26.5PredN
BrCPC(Cl)Cl11056209.832C2H4BrCl2P(bromomethyl)(dichloromethyl)phosphaneN106BrCPC(Cl)ClInChI=1S/C2H4BrCl2P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=KMUDHXRHXJJPQP-UHFFFAOYSA-N176.9Ex 176.85(BP est) -25.81(MP est) ----(BP exp) ----(MP exp) BrCPC(Cl)Cl -25.8PredN
C(Br)(Br)=C(C#C)11057209.868C4H2Br21,1-dibromobut-1-en-3-yneN86C(Br)(Br)=C(C#C)InChI=1S/C4H2Br2/c1-2-3-4(5)6/h1,3HInChIKey=RFXCZIZETWDHQD-UHFFFAOYSA-N182.9Ex 182.93(BP est) 1.18(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)=C(C#C) 1.2PredN
C(Br)=C(Br)(C#C)11058209.868C4H2Br21,2-dibromobut-1-en-3-yneN86C(Br)=C(Br)(C#C)InChI=1S/C4H2Br2/c1-2-4(6)3-5/h1,3HInChIKey=DKNFZJAHHXKSNZ-UHFFFAOYSA-N182.9Ex 182.93(BP est) 1.18(MP est) ----(BP exp) ----(MP exp) C(Br)=C(Br)(C#C) 1.2PredN
C(Br)=C(C#CBr)11059209.868C4H2Br21,4-dibromobut-1-en-3-yneN86C(Br)=C(C#CBr)InChI=1S/C4H2Br2/c5-3-1-2-4-6/h1,3HInChIKey=NHKKZTARINYQGK-UHFFFAOYSA-N196.1Ex 196.09(BP est) 21.20(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C#CBr) 21.2PredN
C=C(Br)(C#CBr)11060209.868C4H2Br22,4-dibromobut-1-en-3-yneN86C=C(Br)(C#CBr)InChI=1S/C4H2Br2/c1-4(6)2-3-5/h1H2InChIKey=KPGHCTHIZBLHQD-UHFFFAOYSA-N182.7Ex 182.73(BP est) 19.24(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C#CBr) 19.2PredN
PC(I)(F)F11061209.902CH2F2IP(difluoroiodomethyl)phosphaneN75PC(I)(F)FInChI=1S/CH2F2IP/c2-1(3,4)5/h5H2InChIKey=VJZJPUCIPWTVOZ-UHFFFAOYSA-N106.5Ex 106.53(BP est) -65.28(MP est) ----(BP exp) ----(MP exp) PC(I)(F)F -65.3PredN
C(Cl)SC(Br)(Cl)11062209.91C2H3BrCl2S(bromochloromethyl)(chloromethyl)sulfaneN96C(Cl)SC(Br)(Cl)InChI=1S/C2H3BrCl2S/c3-2(5)6-1-4/h2H,1H2InChIKey=JTLVQZXWWGYEET-UHFFFAOYSA-N211.9Ex 211.88(BP est) -5.88(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Br)(Cl) -5.9PredN
CSC(Br)(Cl)(Cl)11063209.91C2H3BrCl2S(bromodichloromethyl)(methyl)sulfaneN96CSC(Br)(Cl)(Cl)InChI=1S/C2H3BrCl2S/c1-6-2(3,4)5/h1H3InChIKey=MELKYYANLBJIGI-UHFFFAOYSA-N170.7Ex 170.69(BP est) -9.20(MP est) ----(BP exp) ----(MP exp) CSC(Br)(Cl)(Cl) -9.2PredN
C(Br)SC(Cl)(Cl)11064209.91C2H3BrCl2S(bromomethyl)(dichloromethyl)sulfaneN96C(Br)SC(Cl)(Cl)InChI=1S/C2H3BrCl2S/c3-1-6-2(4)5/h2H,1H2InChIKey=TXMYDJVMBXDURN-UHFFFAOYSA-N201.2Ex 201.17(BP est) -9.01(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Cl)(Cl) -9PredN
SC(Br)(Cl)(CCl)11065209.91C2H3BrCl2S1-bromo-1,2-dichloroethane-1-thiolN96SC(Br)(Cl)(CCl)InChI=1S/C2H3BrCl2S/c3-2(5,6)1-4/h6H,1H2InChIKey=SFISOGKSNHONMJ-UHFFFAOYSA-N205.2Ex 205.23(BP est) 1.92(MP est) ----(BP exp) ----(MP exp) SC(Br)(Cl)(CCl) 1.9PredN
SC(Br)(C(Cl)Cl)11066209.91C2H3BrCl2S1-bromo-2,2-dichloroethane-1-thiolN96SC(Br)(C(Cl)Cl)InChI=1S/C2H3BrCl2S/c3-1(6)2(4)5/h1-2,6HInChIKey=LEDNLIWBDJXFET-UHFFFAOYSA-N201.1Ex 201.12(BP est) -15.50(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(Cl)Cl) -15.5PredN
SC(Cl)(Cl)(CBr)11067209.91C2H3BrCl2S2-bromo-1,1-dichloroethane-1-thiolN96SC(Cl)(Cl)(CBr)InChI=1S/C2H3BrCl2S/c3-1-2(4,5)6/h6H,1H2InChIKey=QJICGYJWKAFBGE-UHFFFAOYSA-N183.3Ex 183.25(BP est) -4.50(MP est) ----(BP exp) ----(MP exp) SC(Cl)(Cl)(CBr) -4.5PredN
SC(Cl)(C(Br)Cl)11068209.91C2H3BrCl2S2-bromo-1,2-dichloroethane-1-thiolN96SC(Cl)(C(Br)Cl)InChI=1S/C2H3BrCl2S/c3-1(4)2(5)6/h1-2,6HInChIKey=BBPUOAOIOAGFGM-UHFFFAOYSA-N201.1Ex 201.12(BP est) -15.50(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(Br)Cl) -15.5PredN
SC(C(Br)(Cl)Cl)11069209.91C2H3BrCl2S2-bromo-2,2-dichloroethane-1-thiolN96SC(C(Br)(Cl)Cl)InChI=1S/C2H3BrCl2S/c3-2(4,5)1-6/h6H,1H2InChIKey=WOAZPXXJGSNVCS-UHFFFAOYSA-N183.3Ex 183.25(BP est) -4.50(MP est) ----(BP exp) ----(MP exp) SC(C(Br)(Cl)Cl) -4.5PredN
C(I)(C(F)(F)F)11070209.938C2H2F3I1,1,1-trifluoro-2-iodoethaneN86C(I)(C(F)(F)F)InChI=1S/C2H2F3I/c3-2(4,5)1-6/h1H2InChIKey=RKOUFQLNMRAACI-UHFFFAOYSA-N58.0Ex 71.47(BP est) -85.27(MP est) 54.50(BP exp) ----(MP exp) C(I)(C(F)(F)F) -85.3PredN
C(F)(C(F)(F)I)11071209.938C2H2F3I1,1,2-trifluoro-1-iodoethaneN86C(F)(C(F)(F)I)InChI=1S/C2H2F3I/c3-1-2(4,5)6/h1H2InChIKey=KYLACLGSGDORMW-UHFFFAOYSA-N71.5Ex 71.47(BP est) -85.27(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)(F)I) -85.3PredN
C(F)(I)(C(F)F)11072209.938C2H2F3I1,1,2-trifluoro-2-iodoethaneN86C(F)(I)(C(F)F)InChI=1S/C2H2F3I/c3-1(4)2(5)6/h1-2HInChIKey=VDZSMZUGFJMLAK-UHFFFAOYSA-N66.3Ex 66.28(BP est) -103.00(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C(F)F) -103PredN
C=CPC#CI11073209.954C4H4IP(iodoethynyl)(vinyl)phosphaneN106C=CPC#CIInChI=1S/C4H4IP/c1-2-6-4-3-5/h2,6H,1H2InChIKey=KCXTVCLVJHYYGL-UHFFFAOYSA-N186.2Ex 186.15(BP est) 17.06(MP est) ----(BP exp) ----(MP exp) C=CPC#CI 17.1PredN
IC#CP1CC111074209.954C4H4IP1-(iodoethynyl)phosphiraneN106IC#CP1CC1InChI=1S/C4H4IP/c5-1-2-6-3-4-6/h3-4H2InChIKey=NFAGYTPLHWKGDP-UHFFFAOYSA-N196.0Ex 195.96(BP est) 22.23(MP est) ----(BP exp) ----(MP exp) IC#CP1CC1 22.2PredN
C#CP1C(I)C111075209.954C4H4IP1-ethynyl-2-iodophosphiraneN106C#CP1C(I)C1InChI=1S/C4H4IP/c1-2-6-3-4(6)5/h1,4H,3H2InChIKey=DRJXJIGJRLVZCV-UHFFFAOYSA-N182.4Ex 182.44(BP est) -2.67(MP est) ----(BP exp) ----(MP exp) C#CP1C(I)C1 -2.7PredN
IC1=CC=CP111076209.954C4H4IP2-iodo-1H-phospholeN106IC1=CC=CP1InChI=1S/C4H4IP/c5-4-2-1-3-6-4/h1-3,6HInChIKey=SLCJEYIGVLONQI-UHFFFAOYSA-N187.8Ex 187.77(BP est) -18.29(MP est) ----(BP exp) ----(MP exp) IC1=CC=CP1 -18.3PredN
IC1=CPC=C111077209.954C4H4IP3-iodo-1H-phospholeN106IC1=CPC=C1InChI=1S/C4H4IP/c5-4-1-2-6-3-4/h1-3,6HInChIKey=UXOVNQOPSJZANG-UHFFFAOYSA-N187.8Ex 187.77(BP est) -18.29(MP est) ----(BP exp) ----(MP exp) IC1=CPC=C1 -18.3PredN
IC(PC#C)=C11078209.954C4H4IPethynyl(1-iodovinyl)phosphaneN106IC(PC#C)=CInChI=1S/C4H4IP/c1-3-6-4(2)5/h1,6H,2H2InChIKey=LPIHWOZYAXVIEG-UHFFFAOYSA-N172.7Ex 172.69(BP est) -23.42(MP est) ----(BP exp) ----(MP exp) IC(PC#C)=C -23.4PredN
IC=CPC#C11079209.954C4H4IPethynyl(2-iodovinyl)phosphaneN106IC=CPC#CInChI=1S/C4H4IP/c1-2-6-4-3-5/h1,3-4,6HInChIKey=OJDGOABWVXNSKG-UHFFFAOYSA-N186.3Ex 186.34(BP est) -14.11(MP est) ----(BP exp) ----(MP exp) IC=CPC#C -14.1PredN
SC(F)(F)(I)11080209.98CHF2ISdifluoroiodomethanethiolN65SC(F)(F)(I)InChI=1S/CHF2IS/c2-1(3,4)5/h5HInChIKey=YLFVEWJNESKJFG-UHFFFAOYSA-N128.3Ex 128.33(BP est) -56.37(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(I) -56.4PredN
IC(C1=CS1)=C11081210.032C4H3IS2-(1-iodovinyl)thiireneN96IC(C1=CS1)=CInChI=1S/C4H3IS/c1-3(5)4-2-6-4/h2H,1H2InChIKey=TVTUKCUGEVZLEP-UHFFFAOYSA-N198.1Ex 198.14(BP est) 9.48(MP est) ----(BP exp) ----(MP exp) IC(C1=CS1)=C 9.5PredN
IC=CC1=CS111082210.032C4H3IS2-(2-iodovinyl)thiireneN96IC=CC1=CS1InChI=1S/C4H3IS/c5-2-1-4-3-6-4/h1-3HInChIKey=YHQQKJSUCRKKKO-UHFFFAOYSA-N211.1Ex 211.05(BP est) 18.57(MP est) ----(BP exp) ----(MP exp) IC=CC1=CS1 18.6PredN
IC#CC1CS111083210.032C4H3IS2-(iodoethynyl)thiiraneN96IC#CC1CS1InChI=1S/C4H3IS/c5-2-1-4-3-6-4/h4H,3H2InChIKey=HUXAHQFPOHYGBQ-UHFFFAOYSA-N212.6Ex 212.62(BP est) 38.17(MP est) ----(BP exp) ----(MP exp) IC#CC1CS1 38.2PredN
IC1(C#C)CS111084210.032C4H3IS2-ethynyl-2-iodothiiraneN96IC1(C#C)CS1InChI=1S/C4H3IS/c1-2-4(5)3-6-4/h1H,3H2InChIKey=MRVRNCRPOJBXEM-UHFFFAOYSA-N194.8Ex 194.84(BP est) 21.58(MP est) ----(BP exp) ----(MP exp) IC1(C#C)CS1 21.6PredN
IC1C(C#C)S111085210.032C4H3IS2-ethynyl-3-iodothiiraneN96IC1C(C#C)S1InChI=1S/C4H3IS/c1-2-3-4(5)6-3/h1,3-4HInChIKey=CGXHWPSOWOKZSU-UHFFFAOYSA-N199.6Ex 199.60(BP est) 21.21(MP est) ----(BP exp) ----(MP exp) IC1C(C#C)S1 21.2PredN
IC(S1)=C1C=C11086210.032C4H3IS2-iodo-3-vinylthiireneN96IC(S1)=C1C=CInChI=1S/C4H3IS/c1-2-3-4(5)6-3/h2H,1H2InChIKey=VUJYBVWOIFLJPE-UHFFFAOYSA-N201.9Ex 201.86(BP est) 23.81(MP est) ----(BP exp) ----(MP exp) IC(S1)=C1C=C 23.8PredN
IC1CC2=C1S211087210.032C4H3IS2-iodo-5-thiabicyclo[2.1.0]pent-1(4)-eneN96IC1CC2=C1S2InChI=1S/C4H3IS/c5-2-1-3-4(2)6-3/h2H,1H2InChIKey=SKXLCRJULGLURA-UHFFFAOYSA-N204.9Ex 204.89(BP est) 26.19(MP est) ----(BP exp) ----(MP exp) IC1CC2=C1S2 26.2PredN
IC1[Si]2(C1)CC211088210.089C4H7ISi1-iodo-3-silaspiro[2.2]pentaneN136IC1[Si]2(C1)CC2InChI=1S/C4H7ISi/c5-4-3-6(4)1-2-6/h4H,1-3H2InChIKey=RTFRUABHJSXLOQ-UHFFFAOYSA-N132.4Ex 132.39(BP est) 9.69(MP est) ----(BP exp) ----(MP exp) IC1[Si]2(C1)CC2 9.7PredN
ClC(Cl)=C(Cl)Br11089210.276C2BrCl31-bromo-1,2,2-trichloroetheneN66ClC(Cl)=C(Cl)BrInChI=1S/C2BrCl3/c3-1(4)2(5)6InChIKey=BKNZCUVCWRQARP-UHFFFAOYSA-N153.8Ex 153.82(BP est) -34.07(MP est) ----(BP exp) ----(MP exp) ClC(Cl)=C(Cl)Br -34.1PredN
OC(Cl)(F)(I)11090210.371CHClFIOchlorofluoroiodomethanolN65OC(Cl)(F)(I)InChI=1S/CHClFIO/c2-1(3,4)5/h5HInChIKey=MJFMBCNBUBNGJO-UHFFFAOYSA-N150.4Ex 150.35(BP est) -23.10(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(I) -23.1PredN
C(Cl)#C(C#CI)11091210.398C4ClI1-chloro-4-iodobuta-1,3-diyneN66C(Cl)#C(C#CI)InChI=1S/C4ClI/c5-3-1-2-4-6InChIKey=YRIRHXSONUETAJ-UHFFFAOYSA-N198.8Ex 198.80(BP est) 42.28(MP est) ----(BP exp) ----(MP exp) C(Cl)#C(C#CI) 42.3PredN
ClC(I)Cl11092210.823CHCl2IdichloroiodomethaneN54ClC(I)ClInChI=1S/CHCl2I/c2-1(3)4/h1HInChIKey=HNLZCOJXSLDGKD-UHFFFAOYSA-N130.9Ex 150.80(BP est) -47.42(MP est) 132.00(BP exp) ----(MP exp) ClC(I)Cl -47.4PredY(Gribble 2009)
C(Br)(Br)=C(C1)(C1)11101211.884C4H4Br2(dibromomethylene)cyclopropaneN106C(Br)(Br)=C(C1)(C1)InChI=1S/C4H4Br2/c5-4(6)3-1-2-3/h1-2H2InChIKey=TWQWWGUQMFWECR-UHFFFAOYSA-N181.6Ex 181.57(BP est) -3.89(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)=C(C1)(C1) -3.9PredN
BrC(Br)C1=CC111102211.884C4H4Br21-(dibromomethyl)cycloprop-1-eneN106BrC(Br)C1=CC1InChI=1S/C4H4Br2/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=SSAYTBMWIQLEDN-UHFFFAOYSA-N172.8Ex 172.82(BP est) -5.50(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1=CC1 -5.5PredN
C=C(C1)(C1(Br)Br)11103211.884C4H4Br21,1-dibromo-2-methylenecyclopropaneN106C=C(C1)(C1(Br)Br)InChI=1S/C4H4Br2/c1-3-2-4(3,5)6/h1-2H2InChIKey=NURAODRTSJTDHS-UHFFFAOYSA-N162.0Ex 161.96(BP est) 8.85(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C1(Br)Br) 8.9PredN
C(C)#C(C(Br)Br)11104211.884C4H4Br21,1-dibromobut-2-yneN106C(C)#C(C(Br)Br)InChI=1S/C4H4Br2/c1-2-3-4(5)6/h4H,1H3InChIKey=FGNSLMGDFXRFTL-UHFFFAOYSA-N177.4Ex 177.42(BP est) 10.55(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(Br)Br) 10.6PredN
C=C(C=C(Br)Br)11105211.884C4H4Br21,1-dibromobuta-1,3-dieneN106C=C(C=C(Br)Br)InChI=1S/C4H4Br2/c1-2-3-4(5)6/h2-3H,1H2InChIKey=MSFZZZZNNXDOHZ-UHFFFAOYSA-N174.0Ex 174.04(BP est) -25.78(MP est) ----(BP exp) ----(MP exp) C=C(C=C(Br)Br) -25.8PredN
BrC(C1C)=C1Br11106211.884C4H4Br21,2-dibromo-3-methylcycloprop-1-eneN106BrC(C1C)=C1BrInChI=1S/C4H4Br2/c1-2-3(5)4(2)6/h2H,1H3InChIKey=QHPDXHHGDGODGG-UHFFFAOYSA-N177.6Ex 177.60(BP est) 7.53(MP est) ----(BP exp) ----(MP exp) BrC(C1C)=C1Br 7.5PredN
C=C(C1Br)(C1Br)11107211.884C4H4Br21,2-dibromo-3-methylenecyclopropaneN106C=C(C1Br)(C1Br)InChI=1S/C4H4Br2/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=RPIKVTMDTFBIAR-UHFFFAOYSA-N167.1Ex 167.07(BP est) -3.73(MP est) ----(BP exp) ----(MP exp) C=C(C1Br)(C1Br) -3.7PredN
C=C(C(Br)=CBr)11108211.884C4H4Br21,2-dibromobuta-1,3-dieneN106C=C(C(Br)=CBr)InChI=1S/C4H4Br2/c1-2-4(6)3-5/h2-3H,1H2InChIKey=DBEWPASGNDEPPK-UHFFFAOYSA-N174.0Ex 174.04(BP est) -25.78(MP est) ----(BP exp) ----(MP exp) C=C(C(Br)=CBr) -25.8PredN
C(C1)(C(Br)=C1Br)11109211.884C4H4Br21,2-dibromocyclobut-1-eneN106C(C1)(C(Br)=C1Br)InChI=1S/C4H4Br2/c5-3-1-2-4(3)6/h1-2H2InChIKey=FYMLMHHFYOQKCM-UHFFFAOYSA-N185.5Ex 185.50(BP est) 10.20(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Br)=C1Br) 10.2PredN
BrC(C1Br)=C1C11110211.884C4H4Br21,3-dibromo-2-methylcycloprop-1-eneN106BrC(C1Br)=C1CInChI=1S/C4H4Br2/c1-2-3(5)4(2)6/h3H,1H3InChIKey=AJWXWQSUACBKPD-UHFFFAOYSA-N177.6Ex 177.60(BP est) 7.53(MP est) ----(BP exp) ----(MP exp) BrC(C1Br)=C1C 7.5PredN
BrC1=CC1(C)Br11111211.884C4H4Br21,3-dibromo-3-methylcycloprop-1-eneN106BrC1=CC1(C)BrInChI=1S/C4H4Br2/c1-4(6)2-3(4)5/h2H,1H3InChIKey=BGZXNTLNSWHQAU-UHFFFAOYSA-N168.3Ex 168.27(BP est) 10.50(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(C)Br 10.5PredN
C(C(Br)C#CBr)11112211.884C4H4Br21,3-dibromobut-1-yneN106C(C(Br)C#CBr)InChI=1S/C4H4Br2/c1-4(6)2-3-5/h4H,1H3InChIKey=UFTDTLSJCHQLSU-UHFFFAOYSA-N177.4Ex 177.42(BP est) 10.55(MP est) ----(BP exp) ----(MP exp) C(C(Br)C#CBr) 10.6PredN
C=C(Br)(C=CBr)11113211.884C4H4Br21,3-dibromobuta-1,3-dieneN106C=C(Br)(C=CBr)InChI=1S/C4H4Br2/c1-4(6)2-3-5/h2-3H,1H2InChIKey=INMRLDSNQXMTBL-UHFFFAOYSA-N174.0Ex 174.04(BP est) -25.78(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C=CBr) -25.8PredN
C(C1Br)(C(Br)=C1)11114211.884C4H4Br21,3-dibromocyclobut-1-eneN106C(C1Br)(C(Br)=C1)InChI=1S/C4H4Br2/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=RNSAIIIBXXSIRG-UHFFFAOYSA-N181.3Ex 181.29(BP est) 0.59(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C(Br)=C1) 0.6PredN
C(Br)(CC#CBr)11115211.884C4H4Br21,4-dibromobut-1-yneN106C(Br)(CC#CBr)InChI=1S/C4H4Br2/c5-3-1-2-4-6/h1,3H2InChIKey=YXNWTVSQTHQWJG-UHFFFAOYSA-N189.9Ex 189.86(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) C(Br)(CC#CBr) 19.7PredN
C(CBr)#C(CBr)11116211.884C4H4Br21,4-dibromobut-2-yneN106C(CBr)#C(CBr)InChI=1S/C4H4Br2/c5-3-1-2-4-6/h3-4H2InChIKey=SAJMJXZROMTSEF-UHFFFAOYSA-N189.9Ex 189.86(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) C(CBr)#C(CBr) 19.7PredN
C(Br)=C(C=CBr)11117211.884C4H4Br21,4-dibromobuta-1,3-dieneN106C(Br)=C(C=CBr)InChI=1S/C4H4Br2/c5-3-1-2-4-6/h1-4HInChIKey=JVAUNSRALVFKNX-UHFFFAOYSA-N187.7Ex 187.66(BP est) -16.48(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C=CBr) -16.5PredN
C(C1Br)(C=C1Br)11118211.884C4H4Br21,4-dibromocyclobut-1-eneN106C(C1Br)(C=C1Br)InChI=1S/C4H4Br2/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=RNARYKADNMGGCB-UHFFFAOYSA-N181.3Ex 181.29(BP est) 0.59(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C=C1Br) 0.6PredN
BrC(C1)=C1CBr11119211.884C4H4Br21-bromo-2-(bromomethyl)cycloprop-1-eneN106BrC(C1)=C1CBrInChI=1S/C4H4Br2/c5-2-3-1-4(3)6/h1-2H2InChIKey=OQBVYVQVTGPDOQ-UHFFFAOYSA-N183.6Ex 183.62(BP est) 11.41(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1CBr 11.4PredN
C(Br)=C(C1)(C1Br)11120211.884C4H4Br21-bromo-2-(bromomethylene)cyclopropaneN106C(Br)=C(C1)(C1Br)InChI=1S/C4H4Br2/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=BSKHXTFZERTNCE-UHFFFAOYSA-N181.2Ex 181.22(BP est) 0.87(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C1)(C1Br) 0.9PredN
BrC1=CC1CBr11121211.884C4H4Br21-bromo-3-(bromomethyl)cycloprop-1-eneN106BrC1=CC1CBrInChI=1S/C4H4Br2/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=YFWJDBFNOMRARH-UHFFFAOYSA-N179.4Ex 179.39(BP est) 1.79(MP est) ----(BP exp) ----(MP exp) BrC1=CC1CBr 1.8PredN
C=C(Br)(C(Br)=C)11122211.884C4H4Br22,3-dibromobuta-1,3-dieneN106C=C(Br)(C(Br)=C)InChI=1S/C4H4Br2/c1-3(5)4(2)6/h1-2H2InChIKey=GVTJVTFUVRQJKK-UHFFFAOYSA-N160.0Ex 160.04(BP est) -35.19(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C(Br)=C) -35.2PredN
BrC(Br)C1C=C111123211.884C4H4Br23-(dibromomethyl)cycloprop-1-eneN106BrC(Br)C1C=C1InChI=1S/C4H4Br2/c5-4(6)3-1-2-3/h1-4HInChIKey=WLRFAJMACXXSCW-UHFFFAOYSA-N168.5Ex 168.50(BP est) -15.15(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1C=C1 -15.2PredN
CC1=CC1(Br)Br11124211.884C4H4Br23,3-dibromo-1-methylcycloprop-1-eneN106CC1=CC1(Br)BrInChI=1S/C4H4Br2/c1-3-2-4(3,5)6/h2H,1H3InChIKey=GKUDPROELGGPNX-UHFFFAOYSA-N168.3Ex 168.27(BP est) 10.50(MP est) ----(BP exp) ----(MP exp) CC1=CC1(Br)Br 10.5PredN
C(C(Br)(Br)C#C)11125211.884C4H4Br23,3-dibromobut-1-yneN106C(C(Br)(Br)C#C)InChI=1S/C4H4Br2/c1-3-4(2,5)6/h1H,2H3InChIKey=VYMYZSKXSLQVIB-UHFFFAOYSA-N161.1Ex 161.06(BP est) 5.53(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Br)C#C) 5.5PredN
C(C1(Br)Br)(C=C1)11126211.884C4H4Br23,3-dibromocyclobut-1-eneN106C(C1(Br)Br)(C=C1)InChI=1S/C4H4Br2/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=HNZQPJJNQYLDKZ-UHFFFAOYSA-N172.0Ex 172.04(BP est) 3.58(MP est) ----(BP exp) ----(MP exp) C(C1(Br)Br)(C=C1) 3.6PredN
C(Br)(C(Br)C#C)11127211.884C4H4Br23,4-dibromobut-1-yneN106C(Br)(C(Br)C#C)InChI=1S/C4H4Br2/c1-2-4(6)3-5/h1,4H,3H2InChIKey=KUVDGLSKJMIBLP-UHFFFAOYSA-N169.6Ex 169.55(BP est) -0.70(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)C#C) -0.7PredN
C(Br)(C1Br)(C=C1)11128211.884C4H4Br23,4-dibromocyclobut-1-eneN106C(Br)(C1Br)(C=C1)InChI=1S/C4H4Br2/c5-3-1-2-4(3)6/h1-4HInChIKey=LOUHHAXEVCJWFQ-UHFFFAOYSA-N177.0Ex 177.04(BP est) -9.03(MP est) ----(BP exp) ----(MP exp) C(Br)(C1Br)(C=C1) -9PredN
BrCC1=CC1Br11129211.884C4H4Br23-bromo-1-(bromomethyl)cycloprop-1-eneN106BrCC1=CC1BrInChI=1S/C4H4Br2/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=QZTYFGAPEVADQS-UHFFFAOYSA-N179.4Ex 179.39(BP est) 1.79(MP est) ----(BP exp) ----(MP exp) BrCC1=CC1Br 1.8PredN
BrC1(CBr)C=C111130211.884C4H4Br23-bromo-3-(bromomethyl)cycloprop-1-eneN106BrC1(CBr)C=C1InChI=1S/C4H4Br2/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=CDLNETOZGICRDN-UHFFFAOYSA-N170.1Ex 170.10(BP est) 4.77(MP est) ----(BP exp) ----(MP exp) BrC1(CBr)C=C1 4.8PredN
C(Br)(Br)(CC#C)11131211.884C4H4Br24,4-dibromobut-1-yneN106C(Br)(Br)(CC#C)InChI=1S/C4H4Br2/c1-2-3-4(5)6/h1,4H,3H2InChIKey=NAMYTRQBRSKRCZ-UHFFFAOYSA-N169.6Ex 169.55(BP est) -0.70(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(CC#C) -0.7PredN
O=PC(I)C#C11132211.926C3H2IOP(1-iodoprop-2-yn-1-yl)(oxo)phosphaneN86O=PC(I)C#CInChI=1S/C3H2IOP/c1-2-3(4)6-5/h1,3HInChIKey=SNPNRHXDIMXQLN-UHFFFAOYSA-N205.1Ex 205.14(BP est) 6.46(MP est) ----(BP exp) ----(MP exp) O=PC(I)C#C 6.5PredN
O=PCC#CI11133211.926C3H2IOP(3-iodoprop-2-yn-1-yl)(oxo)phosphaneN86O=PCC#CIInChI=1S/C3H2IOP/c4-2-1-3-6-5/h3H2InChIKey=WIPVMNTUGLIXAE-UHFFFAOYSA-N223.9Ex 223.91(BP est) 36.39(MP est) ----(BP exp) ----(MP exp) O=PCC#CI 36.4PredN
CPC(I)C#C11134211.97C4H6IP(1-iodoprop-2-yn-1-yl)(methyl)phosphaneN126CPC(I)C#CInChI=1S/C4H6IP/c1-3-4(5)6-2/h1,4,6H,2H3InChIKey=YUPVQFNCJUEXHP-UHFFFAOYSA-N167.3Ex 167.28(BP est) -24.64(MP est) ----(BP exp) ----(MP exp) CPC(I)C#C -24.6PredN
C=CPC(I)=C11135211.97C4H6IP(1-iodovinyl)(vinyl)phosphaneN126C=CPC(I)=CInChI=1S/C4H6IP/c1-3-6-4(2)5/h3,6H,1-2H2InChIKey=RGIMGVZDPDWGDK-UHFFFAOYSA-N163.6Ex 163.62(BP est) -50.43(MP est) ----(BP exp) ----(MP exp) C=CPC(I)=C -50.4PredN
C=CPC=CI11136211.97C4H6IP(2-iodovinyl)(vinyl)phosphaneN126C=CPC=CIInChI=1S/C4H6IP/c1-2-6-4-3-5/h2-4,6H,1H2InChIKey=XQGAUMVEPTUKJY-UHFFFAOYSA-N177.5Ex 177.53(BP est) -41.05(MP est) ----(BP exp) ----(MP exp) C=CPC=CI -41.1PredN
CPCC#CI11137211.97C4H6IP(3-iodoprop-2-yn-1-yl)(methyl)phosphaneN126CPCC#CIInChI=1S/C4H6IP/c1-6-4-2-3-5/h6H,4H2,1H3InChIKey=MFSZOSNUJPYBCH-UHFFFAOYSA-N187.7Ex 187.68(BP est) 18.38(MP est) ----(BP exp) ----(MP exp) CPCC#CI 18.4PredN
CP(C)C#CI11138211.97C4H6IP(iodoethynyl)dimethylphosphaneN126CP(C)C#CIInChI=1S/C4H6IP/c1-6(2)4-3-5/h1-2H3InChIKey=CBRQRSXWBPWZMT-UHFFFAOYSA-N188.5Ex 188.50(BP est) 17.94(MP est) ----(BP exp) ----(MP exp) CP(C)C#CI 17.9PredN
ICPCC#C11139211.97C4H6IP(iodomethyl)(prop-2-yn-1-yl)phosphaneN126ICPCC#CInChI=1S/C4H6IP/c1-2-3-6-4-5/h1,6H,3-4H2InChIKey=QBDJXFBSAYZUQL-UHFFFAOYSA-N180.0Ex 179.98(BP est) -13.43(MP est) ----(BP exp) ----(MP exp) ICPCC#C -13.4PredN
IC(P1CC1)=C11140211.97C4H6IP1-(1-iodovinyl)phosphiraneN126IC(P1CC1)=CInChI=1S/C4H6IP/c1-4(5)6-2-3-6/h1-3H2InChIKey=SEMMMJBGXBCECC-UHFFFAOYSA-N173.9Ex 173.90(BP est) -34.38(MP est) ----(BP exp) ----(MP exp) IC(P1CC1)=C -34.4PredN
IC=CP1CC111141211.97C4H6IP1-(2-iodovinyl)phosphiraneN126IC=CP1CC1InChI=1S/C4H6IP/c5-1-2-6-3-4-6/h1-2H,3-4H2InChIKey=MBEFXNBIXPTJSK-UHFFFAOYSA-N187.5Ex 187.52(BP est) -25.09(MP est) ----(BP exp) ----(MP exp) IC=CP1CC1 -25.1PredN
ICP1C=CC111142211.97C4H6IP1-(iodomethyl)-1,2-dihydrophospheteN126ICP1C=CC1InChI=1S/C4H6IP/c5-4-6-2-1-3-6/h1-2H,3-4H2InChIKey=WRFRTBDXMPRCFO-UHFFFAOYSA-N185.8Ex 185.78(BP est) -24.44(MP est) ----(BP exp) ----(MP exp) ICP1C=CC1 -24.4PredN
CP1C=CC1I11143211.97C4H6IP2-iodo-1-methyl-1,2-dihydrophospheteN126CP1C=CC1IInChI=1S/C4H6IP/c1-6-3-2-4(6)5/h2-4H,1H3InChIKey=WORDYQFAYVAQMA-UHFFFAOYSA-N179.8Ex 179.78(BP est) -28.31(MP est) ----(BP exp) ----(MP exp) CP1C=CC1I -28.3PredN
IC1CP1C=C11144211.97C4H6IP2-iodo-1-vinylphosphiraneN126IC1CP1C=CInChI=1S/C4H6IP/c1-2-6-3-4(6)5/h2,4H,1,3H2InChIKey=MOZZENJBURTXQB-UHFFFAOYSA-N173.6Ex 173.55(BP est) -29.63(MP est) ----(BP exp) ----(MP exp) IC1CP1C=C -29.6PredN
IC1CC=CP111145211.97C4H6IP2-iodo-2,3-dihydro-1H-phospholeN126IC1CC=CP1InChI=1S/C4H6IP/c5-4-2-1-3-6-4/h1,3-4,6H,2H2InChIKey=RUFDGMVUHYQMTA-UHFFFAOYSA-N180.9Ex 180.86(BP est) -29.07(MP est) ----(BP exp) ----(MP exp) IC1CC=CP1 -29.1PredN
CP1C=C(I)C111146211.97C4H6IP3-iodo-1-methyl-1,2-dihydrophospheteN126CP1C=C(I)C1InChI=1S/C4H6IP/c1-6-2-4(5)3-6/h2H,3H2,1H3InChIKey=UZUWRFSZINIMPZ-UHFFFAOYSA-N184.0Ex 184.01(BP est) -18.69(MP est) ----(BP exp) ----(MP exp) CP1C=C(I)C1 -18.7PredN
IC1C=CPC111147211.97C4H6IP3-iodo-2,3-dihydro-1H-phospholeN126IC1C=CPC1InChI=1S/C4H6IP/c5-4-1-2-6-3-4/h1-2,4,6H,3H2InChIKey=MVDMHLDPWGGONG-UHFFFAOYSA-N180.9Ex 180.86(BP est) -29.07(MP est) ----(BP exp) ----(MP exp) IC1C=CPC1 -29.1PredN
CP1C(I)=CC111148211.97C4H6IP4-iodo-1-methyl-1,2-dihydrophospheteN126CP1C(I)=CC1InChI=1S/C4H6IP/c1-6-3-2-4(6)5/h2H,3H2,1H3InChIKey=LIPGDSQVPOQIAZ-UHFFFAOYSA-N184.0Ex 184.01(BP est) -18.69(MP est) ----(BP exp) ----(MP exp) CP1C(I)=CC1 -18.7PredN
IC1=CPCC111149211.97C4H6IP4-iodo-2,3-dihydro-1H-phospholeN126IC1=CPCC1InChI=1S/C4H6IP/c5-4-1-2-6-3-4/h3,6H,1-2H2InChIKey=CPSJWBAXGDEZNW-UHFFFAOYSA-N185.1Ex 185.07(BP est) -19.46(MP est) ----(BP exp) ----(MP exp) IC1=CPCC1 -19.5PredN
IC1=CCCP111150211.97C4H6IP5-iodo-2,3-dihydro-1H-phospholeN126IC1=CCCP1InChI=1S/C4H6IP/c5-4-2-1-3-6-4/h2,6H,1,3H2InChIKey=WYHISROCPBXUCD-UHFFFAOYSA-N185.1Ex 185.07(BP est) -19.46(MP est) ----(BP exp) ----(MP exp) IC1=CCCP1 -19.5PredN
CCPC#CI11151211.97C4H6IPethyl(iodoethynyl)phosphaneN126CCPC#CIInChI=1S/C4H6IP/c1-2-6-4-3-5/h6H,2H2,1H3InChIKey=BXTKKJOYJNFLPX-UHFFFAOYSA-N187.7Ex 187.68(BP est) 18.38(MP est) ----(BP exp) ----(MP exp) CCPC#CI 18.4PredN
IC(PC#C)C11152211.97C4H6IPethynyl(1-iodoethyl)phosphaneN126IC(PC#C)CInChI=1S/C4H6IP/c1-3-6-4(2)5/h1,4,6H,2H3InChIKey=CRIODFDHGDCVEZ-UHFFFAOYSA-N167.3Ex 167.28(BP est) -24.64(MP est) ----(BP exp) ----(MP exp) IC(PC#C)C -24.6PredN
ICCPC#C11153211.97C4H6IPethynyl(2-iodoethyl)phosphaneN126ICCPC#CInChI=1S/C4H6IP/c1-2-6-4-3-5/h1,6H,3-4H2InChIKey=SAIKSENIYKDQCE-UHFFFAOYSA-N180.0Ex 179.98(BP est) -13.43(MP est) ----(BP exp) ----(MP exp) ICCPC#C -13.4PredN
CP(CI)C#C11154211.97C4H6IPethynyl(iodomethyl)(methyl)phosphaneN126CP(CI)C#CInChI=1S/C4H6IP/c1-3-6(2)4-5/h1H,4H2,2H3InChIKey=VIXQTPIKWOTLQI-UHFFFAOYSA-N180.8Ex 180.81(BP est) -13.87(MP est) ----(BP exp) ----(MP exp) CP(CI)C#C -13.9PredN
CSC(I)(C#C)11156212.048C4H5IS(1-iodoprop-2-yn-1-yl)(methyl)sulfaneN116CSC(I)(C#C)InChI=1S/C4H5IS/c1-3-4(5)6-2/h1,4H,2H3InChIKey=RFNMUHLHCGHUMJ-UHFFFAOYSA-N192.1Ex 192.09(BP est) -7.70(MP est) ----(BP exp) ----(MP exp) CSC(I)(C#C) -7.7PredN
C=CSC(I)=C11157212.048C4H5IS(1-iodovinyl)(vinyl)sulfaneN116C=CSC(I)=CInChI=1S/C4H5IS/c1-3-6-4(2)5/h3H,1-2H2InChIKey=HKVXLNFKTQSGJD-UHFFFAOYSA-N188.6Ex 188.62(BP est) -33.43(MP est) ----(BP exp) ----(MP exp) C=CSC(I)=C -33.4PredN
C=CSC=C(I)11158212.048C4H5IS(2-iodovinyl)(vinyl)sulfaneN116C=CSC=C(I)InChI=1S/C4H5IS/c1-2-6-4-3-5/h2-4H,1H2InChIKey=NCTSIIHGAJQSHK-UHFFFAOYSA-N201.8Ex 201.81(BP est) -24.26(MP est) ----(BP exp) ----(MP exp) C=CSC=C(I) -24.3PredN
C(I)C#CSC11159212.048C4H5IS(3-iodoprop-1-yn-1-yl)(methyl)sulfaneN116C(I)C#CSCInChI=1S/C4H5IS/c1-6-4-2-3-5/h3H2,1H3InChIKey=NBELCCOLXIZEKW-UHFFFAOYSA-N211.4Ex 211.44(BP est) 26.61(MP est) ----(BP exp) ----(MP exp) C(I)C#CSC 26.6PredN
CSC(C#CI)11160212.048C4H5IS(3-iodoprop-2-yn-1-yl)(methyl)sulfaneN116CSC(C#CI)InChI=1S/C4H5IS/c1-6-4-2-3-5/h4H2,1H3InChIKey=RQFKMQDHJSMNQF-UHFFFAOYSA-N211.4Ex 211.44(BP est) 26.61(MP est) ----(BP exp) ----(MP exp) CSC(C#CI) 26.6PredN
CC#CSC(I)11161212.048C4H5IS(iodomethyl)(prop-1-yn-1-yl)sulfaneN116CC#CSC(I)InChI=1S/C4H5IS/c1-2-3-6-4-5/h4H2,1H3InChIKey=AZZSWMRESHDQLK-UHFFFAOYSA-N211.4Ex 211.44(BP est) 26.61(MP est) ----(BP exp) ----(MP exp) CC#CSC(I) 26.6PredN
C(I)SC(C#C)11162212.048C4H5IS(iodomethyl)(prop-2-yn-1-yl)sulfaneN116C(I)SC(C#C)InChI=1S/C4H5IS/c1-2-3-6-4-5/h1H,3-4H2InChIKey=HTLPEFSFKOJYNL-UHFFFAOYSA-N204.1Ex 204.14(BP est) 3.32(MP est) ----(BP exp) ----(MP exp) C(I)SC(C#C) 3.3PredN
IC12C(S2)CC111163212.048C4H5IS1-iodo-5-thiabicyclo[2.1.0]pentaneN116IC12C(S2)CC1InChI=1S/C4H5IS/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=SEKLOFBNPVMHRO-UHFFFAOYSA-N189.3Ex 189.32(BP est) 28.69(MP est) ----(BP exp) ----(MP exp) IC12C(S2)CC1 28.7PredN
SC(I)(CC#C)11164212.048C4H5IS1-iodobut-3-yne-1-thiolN116SC(I)(CC#C)InChI=1S/C4H5IS/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=FZDIFUXLKCZJKL-UHFFFAOYSA-N204.1Ex 204.08(BP est) -3.16(MP est) ----(BP exp) ----(MP exp) SC(I)(CC#C) -3.2PredN
SC(CI)(C#C)11165212.048C4H5IS1-iodobut-3-yne-2-thiolN116SC(CI)(C#C)InChI=1S/C4H5IS/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=IMNMLARJGLUAEL-UHFFFAOYSA-N204.1Ex 204.08(BP est) -3.16(MP est) ----(BP exp) ----(MP exp) SC(CI)(C#C) -3.2PredN
SC(I)(C1)(C=C1)11166212.048C4H5IS1-iodocyclobut-2-ene-1-thiolN116SC(I)(C1)(C=C1)InChI=1S/C4H5IS/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=ZQWDWTFZIQDOJJ-UHFFFAOYSA-N206.4Ex 206.39(BP est) 1.06(MP est) ----(BP exp) ----(MP exp) SC(I)(C1)(C=C1) 1.1PredN
IC(C)C1=CS111167212.048C4H5IS2-(1-iodoethyl)thiireneN116IC(C)C1=CS1InChI=1S/C4H5IS/c1-3(5)4-2-6-4/h2-3H,1H3InChIKey=JHYPRZDCKQJSEM-UHFFFAOYSA-N193.0Ex 193.01(BP est) 8.34(MP est) ----(BP exp) ----(MP exp) IC(C)C1=CS1 8.3PredN
IC(C1CS1)=C11168212.048C4H5IS2-(1-iodovinyl)thiiraneN116IC(C1CS1)=CInChI=1S/C4H5IS/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=QNJDYLJIZZIGKL-UHFFFAOYSA-N191.4Ex 191.38(BP est) -1.25(MP est) ----(BP exp) ----(MP exp) IC(C1CS1)=C -1.3PredN
ICCC1=CS111169212.048C4H5IS2-(2-iodoethyl)thiireneN116ICCC1=CS1InChI=1S/C4H5IS/c5-2-1-4-3-6-4/h3H,1-2H2InChIKey=OCXCLUNJZQYXJK-UHFFFAOYSA-N205.0Ex 205.03(BP est) 19.35(MP est) ----(BP exp) ----(MP exp) ICCC1=CS1 19.4PredN
IC=CC1CS111170212.048C4H5IS2-(2-iodovinyl)thiiraneN116IC=CC1CS1InChI=1S/C4H5IS/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=HSTABFWTRMKEEK-UHFFFAOYSA-N204.5Ex 204.50(BP est) 7.90(MP est) ----(BP exp) ----(MP exp) IC=CC1CS1 7.9PredN
CC(S1)=C1CI11171212.048C4H5IS2-(iodomethyl)-3-methylthiireneN116CC(S1)=C1CIInChI=1S/C4H5IS/c1-3-4(2-5)6-3/h2H2,1H3InChIKey=PIOJYRHFYCPGFR-UHFFFAOYSA-N203.3Ex 203.34(BP est) 25.12(MP est) ----(BP exp) ----(MP exp) CC(S1)=C1CI 25.1PredN
IC(S1)=C1CC11172212.048C4H5IS2-ethyl-3-iodothiireneN116IC(S1)=C1CCInChI=1S/C4H5IS/c1-2-3-4(5)6-3/h2H2,1H3InChIKey=GVQVJHSITUCKDV-UHFFFAOYSA-N203.3Ex 203.34(BP est) 25.12(MP est) ----(BP exp) ----(MP exp) IC(S1)=C1CC 25.1PredN
IC1C2(CC2)S111173212.048C4H5IS2-iodo-1-thiaspiro[2.2]pentaneN116IC1C2(CC2)S1InChI=1S/C4H5IS/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=SUAJCGJFENIEGE-UHFFFAOYSA-N189.3Ex 189.32(BP est) 28.69(MP est) ----(BP exp) ----(MP exp) IC1C2(CC2)S1 28.7PredN
IC1(C=C)CS111174212.048C4H5IS2-iodo-2-vinylthiiraneN116IC1(C=C)CS1InChI=1S/C4H5IS/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=MGZZNXDTRVXSMF-UHFFFAOYSA-N186.2Ex 186.18(BP est) 16.16(MP est) ----(BP exp) ----(MP exp) IC1(C=C)CS1 16.2PredN
IC1C(C=C)S111175212.048C4H5IS2-iodo-3-vinylthiiraneN116IC1C(C=C)S1InChI=1S/C4H5IS/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=IRCLZWLDCYAQHR-UHFFFAOYSA-N191.0Ex 191.04(BP est) 3.51(MP est) ----(BP exp) ----(MP exp) IC1C(C=C)S1 3.5PredN
IC1CC2C1S211176212.048C4H5IS2-iodo-5-thiabicyclo[2.1.0]pentaneN116IC1CC2C1S2InChI=1S/C4H5IS/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=DCCCBGPMQRTBGW-UHFFFAOYSA-N194.1Ex 194.14(BP est) 16.02(MP est) ----(BP exp) ----(MP exp) IC1CC2C1S2 16PredN
SC(C(I)C#C)11177212.048C4H5IS2-iodobut-3-yne-1-thiolN116SC(C(I)C#C)InChI=1S/C4H5IS/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=YOWCWXLXUXCZND-UHFFFAOYSA-N204.1Ex 204.08(BP est) -3.16(MP est) ----(BP exp) ----(MP exp) SC(C(I)C#C) -3.2PredN
SC(I)(C)(C#C)11178212.048C4H5IS2-iodobut-3-yne-2-thiolN116SC(I)(C)(C#C)InChI=1S/C4H5IS/c1-3-4(2,5)6/h1,6H,2H3InChIKey=BHFFHBWJRGBNLX-UHFFFAOYSA-N196.2Ex 196.19(BP est) 3.24(MP est) ----(BP exp) ----(MP exp) SC(I)(C)(C#C) 3.2PredN
SC(C1)(C(I)=C1)11179212.048C4H5IS2-iodocyclobut-2-ene-1-thiolN116SC(C1)(C(I)=C1)InChI=1S/C4H5IS/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=CITOGGBFVHTKMP-UHFFFAOYSA-N215.0Ex 214.97(BP est) -2.12(MP est) ----(BP exp) ----(MP exp) SC(C1)(C(I)=C1) -2.1PredN
SC(C1)(C=C1I)11180212.048C4H5IS3-iodocyclobut-2-ene-1-thiolN116SC(C1)(C=C1I)InChI=1S/C4H5IS/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=HZICRUHQUVYSFC-UHFFFAOYSA-N215.0Ex 214.97(BP est) -2.12(MP est) ----(BP exp) ----(MP exp) SC(C1)(C=C1I) -2.1PredN
IC1C2(C1)CS211181212.048C4H5IS4-iodo-1-thiaspiro[2.2]pentaneN116IC1C2(C1)CS2InChI=1S/C4H5IS/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=IYNCFHZCEIWUAI-UHFFFAOYSA-N189.3Ex 189.32(BP est) 28.69(MP est) ----(BP exp) ----(MP exp) IC1C2(C1)CS2 28.7PredN
SC(CC#CI)11182212.048C4H5IS4-iodobut-3-yne-1-thiolN116SC(CC#CI)InChI=1S/C4H5IS/c5-3-1-2-4-6/h6H,2,4H2InChIKey=LYWHJTOPXWLZPB-UHFFFAOYSA-N222.9Ex 222.90(BP est) 31.76(MP est) ----(BP exp) ----(MP exp) SC(CC#CI) 31.8PredN
SC(C)(C#CI)11183212.048C4H5IS4-iodobut-3-yne-2-thiolN116SC(C)(C#CI)InChI=1S/C4H5IS/c1-4(6)2-3-5/h4,6H,1H3InChIKey=PPBLXYXPDHCTNP-UHFFFAOYSA-N211.4Ex 211.38(BP est) 28.53(MP est) ----(BP exp) ----(MP exp) SC(C)(C#CI) 28.5PredN
SC(C1I)(C=C1)11184212.048C4H5IS4-iodocyclobut-2-ene-1-thiolN116SC(C1I)(C=C1)InChI=1S/C4H5IS/c5-3-1-2-4(3)6/h1-4,6HInChIKey=ZXBBMUYSLBFQRV-UHFFFAOYSA-N211.0Ex 211.03(BP est) -11.65(MP est) ----(BP exp) ----(MP exp) SC(C1I)(C=C1) -11.7PredN
C[Si]1(CC1)CI11185212.105C4H9ISi1-(iodomethyl)-1-methylsiliraneN156C[Si]1(CC1)CIInChI=1S/C4H9ISi/c1-6(4-5)2-3-6/h2-4H2,1H3InChIKey=XCIIDSACRXRGLU-UHFFFAOYSA-N130.6Ex 130.60(BP est) -1.56(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1)CI -1.6PredN
C[Si]1(CC1I)C11186212.105C4H9ISi2-iodo-1,1-dimethylsiliraneN156C[Si]1(CC1I)CInChI=1S/C4H9ISi/c1-6(2)3-4(6)5/h4H,3H2,1-2H3InChIKey=SVKIWQQPHIOPQY-UHFFFAOYSA-N123.9Ex 123.94(BP est) -5.62(MP est) ----(BP exp) ----(MP exp) C[Si]1(CC1I)C -5.6PredN
C(Cl)(C(Br)(Cl)Cl)11187212.292C2H2BrCl31-bromo-1,1,2-trichloroethaneN86C(Cl)(C(Br)(Cl)Cl)InChI=1S/C2H2BrCl3/c3-2(5,6)1-4/h1H2InChIKey=IVCRMKZPWHEIAT-UHFFFAOYSA-N166.7Ex 166.70(BP est) -12.60(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)(Cl)Cl) -12.6PredN
C(Cl)(Cl)(C(Br)Cl)11188212.292C2H2BrCl31-bromo-1,2,2-trichloroethaneN86C(Cl)(Cl)(C(Br)Cl)InChI=1S/C2H2BrCl3/c3-1(4)2(5)6/h1-2HInChIKey=WJWLFVMDKBUDIC-UHFFFAOYSA-N173.8Ex 173.83(BP est) -26.73(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(Br)Cl) -26.7PredN
BrCC(Cl)(Cl)Cl11189212.292C2H2BrCl32-bromo-1,1,1-trichloroethaneN86BrCC(Cl)(Cl)ClInChI=1S/C2H2BrCl3/c3-1-2(4,5)6/h1H2InChIKey=DNYWXJPIRSNXIP-UHFFFAOYSA-N142.9Ex 142.86(BP est) -19.56(MP est) ----(BP exp) ----(MP exp) BrCC(Cl)(Cl)Cl -19.6PredN
C(Cl)(F)(F)(I)11190212.362CClF2IchlorodifluoroiodomethaneN55C(Cl)(F)(F)(I)InChI=1S/CClF2I/c2-1(3,4)5InChIKey=CDNQVRRPSZBJQC-UHFFFAOYSA-N83.7Ex 83.66(BP est) -72.68(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(F)(I) -72.7PredN
C(Cl)(I)=C(C#C)11191212.414C4H2ClI1-chloro-1-iodobut-1-en-3-yneN86C(Cl)(I)=C(C#C)InChI=1S/C4H2ClI/c1-2-3-4(5)6/h1,3HInChIKey=FRBJZGKHHLXPDB-UHFFFAOYSA-N177.1Ex 177.08(BP est) -16.34(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)=C(C#C) -16.3PredN
C(Cl)=C(I)(C#C)11192212.414C4H2ClI1-chloro-2-iodobut-1-en-3-yneN86C(Cl)=C(I)(C#C)InChI=1S/C4H2ClI/c1-2-4(6)3-5/h1,3HInChIKey=PQTAZFLEBYGJAR-UHFFFAOYSA-N177.1Ex 177.08(BP est) -16.34(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(I)(C#C) -16.3PredN
C(Cl)=C(C#CI)11193212.414C4H2ClI1-chloro-4-iodobut-1-en-3-yneN86C(Cl)=C(C#CI)InChI=1S/C4H2ClI/c5-3-1-2-4-6/h1,3HInChIKey=KVFUZQXQUUXYKY-UHFFFAOYSA-N190.4Ex 190.41(BP est) 24.10(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C#CI) 24.1PredN
C(I)=C(Cl)(C#C)11194212.414C4H2ClI2-chloro-1-iodobut-1-en-3-yneN86C(I)=C(Cl)(C#C)InChI=1S/C4H2ClI/c1-2-4(5)3-6/h1,3HInChIKey=KMVZYMQEGRDGKU-UHFFFAOYSA-N177.1Ex 177.08(BP est) -16.34(MP est) ----(BP exp) ----(MP exp) C(I)=C(Cl)(C#C) -16.3PredN
C=C(Cl)(C#CI)11195212.414C4H2ClI2-chloro-4-iodobut-1-en-3-yneN86C=C(Cl)(C#CI)InChI=1S/C4H2ClI/c1-4(5)2-3-6/h1H2InChIKey=PZAUJZBAVQZLQT-UHFFFAOYSA-N176.9Ex 176.88(BP est) 14.83(MP est) ----(BP exp) ----(MP exp) C=C(Cl)(C#CI) 14.8PredN
C(I)=C(C#CCl)11196212.414C4H2ClI4-chloro-1-iodobut-1-en-3-yneN86C(I)=C(C#CCl)InChI=1S/C4H2ClI/c5-3-1-2-4-6/h2,4HInChIKey=RSERUHBXOKFAHU-UHFFFAOYSA-N190.4Ex 190.41(BP est) 24.10(MP est) ----(BP exp) ----(MP exp) C(I)=C(C#CCl) 24.1PredN
C=C(I)(C#CCl)11197212.414C4H2ClI4-chloro-2-iodobut-1-en-3-yneN86C=C(I)(C#CCl)InChI=1S/C4H2ClI/c1-4(6)2-3-5/h1H2InChIKey=WHUWMWARUKZDNP-UHFFFAOYSA-N176.9Ex 176.88(BP est) 14.83(MP est) ----(BP exp) ----(MP exp) C=C(I)(C#CCl) 14.8PredN
NC(Br)(Br)(C#C)11198212.872C3H3Br2N1,1-dibromoprop-2-yn-1-amineN96NC(Br)(Br)(C#C)InChI=1S/C3H3Br2N/c1-2-3(4,5)6/h1H,6H2InChIKey=MAMPQXWYYHFKOT-UHFFFAOYSA-N195.5Ex 195.51(BP est) 26.04(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(C#C) 26PredN
NC(Br)(C#CBr)11199212.872C3H3Br2N1,3-dibromoprop-2-yn-1-amineN96NC(Br)(C#CBr)InChI=1S/C3H3Br2N/c4-2-1-3(5)6/h3H,6H2InChIKey=CMWBXPDVGFSOME-UHFFFAOYSA-N210.7Ex 210.73(BP est) 43.13(MP est) ----(BP exp) ----(MP exp) NC(Br)(C#CBr) 43.1PredN
BrC(Br)C1=CN111200212.872C3H3Br2N2-(dibromomethyl)-1H-azirineN96BrC(Br)C1=CN1InChI=1S/C3H3Br2N/c4-3(5)2-1-6-2/h1,3,6HInChIKey=MMBAKZBVNYGAAK-UHFFFAOYSA-N205.7Ex 205.69(BP est) 28.71(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1=CN1 28.7PredN
BrC(N1)=C1CBr11201212.872C3H3Br2N2-bromo-3-(bromomethyl)-1H-azirineN96BrC(N1)=C1CBrInChI=1S/C3H3Br2N/c4-1-2-3(5)6-2/h6H,1H2InChIKey=QAFKBHZPJYUQMT-UHFFFAOYSA-N215.7Ex 215.73(BP est) 39.98(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1CBr 40PredN
OC(C#C)(Br)(Br)11219213.856C3H2Br2O1,1-dibromoprop-2-yn-1-olN86OC(C#C)(Br)(Br)InChI=1S/C3H2Br2O/c1-2-3(4,5)6/h1,6HInChIKey=LZBKLDZXQXJKPV-UHFFFAOYSA-N201.6Ex 201.57(BP est) 29.43(MP est) ----(BP exp) ----(MP exp) OC(C#C)(Br)(Br) 29.4PredN
BrC(Br)C1=CO111220213.856C3H2Br2O2-(dibromomethyl)oxireneN86BrC(Br)C1=CO1InChI=1S/C3H2Br2O/c4-3(5)2-1-6-2/h1,3HInChIKey=NUOOTIXKMZFCTF-UHFFFAOYSA-N178.5Ex 178.49(BP est) 3.80(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1=CO1 3.8PredN
C(=O)C(Br)=C(Br)11221213.856C3H2Br2O2,3-dibromoacrylaldehydeN86C(=O)C(Br)=C(Br)InChI=1S/C3H2Br2O/c4-1-3(5)2-6/h1-2HInChIKey=RQLLJFASFCVBCF-UHFFFAOYSA-N206.8Ex 206.77(BP est) 0.02(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)=C(Br) 0PredN
BrC(O1)=C1CBr11222213.856C3H2Br2O2-bromo-3-(bromomethyl)oxireneN86BrC(O1)=C1CBrInChI=1S/C3H2Br2O/c4-1-2-3(5)6-2/h1H2InChIKey=LLMWBGBKLPDCBD-UHFFFAOYSA-N189.2Ex 189.16(BP est) 20.67(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1CBr 20.7PredN
C(=O)C=C(Br)(Br)11223213.856C3H2Br2O3,3-dibromoacrylaldehydeN86C(=O)C=C(Br)(Br)InChI=1S/C3H2Br2O/c4-3(5)1-2-6/h1-2HInChIKey=DNBBIPGUJIGEQY-UHFFFAOYSA-N206.8Ex 206.77(BP est) 0.02(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(Br)(Br) 0PredY(Gribble 2003)
C(C(Br)Br)(C1)(C1)11224213.9C4H6Br2(dibromomethyl)cyclopropaneN126C(C(Br)Br)(C1)(C1)InChI=1S/C4H6Br2/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=XAXQZMVQJJBADI-UHFFFAOYSA-N165.7Ex 165.70(BP est) -16.35(MP est) ----(BP exp) ----(MP exp) C(C(Br)Br)(C1)(C1) -16.4PredN
C(C)(C1)(C1(Br)Br)11225213.9C4H6Br21,1-dibromo-2-methylcyclopropaneN126C(C)(C1)(C1(Br)Br)InChI=1S/C4H6Br2/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=DYEHJZRXHQOBGB-UHFFFAOYSA-N161.1Ex 161.08(BP est) -0.36(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C1(Br)Br) -0.4PredN
C(Br)(Br)=C(C)(C)11226213.9C4H6Br21,1-dibromo-2-methylprop-1-eneN126C(Br)(Br)=C(C)(C)InChI=1S/C4H6Br2/c1-3(2)4(5)6/h1-2H3InChIKey=JRQAPELIEVHZDW-UHFFFAOYSA-N169.9Ex 169.85(BP est) -33.10(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)=C(C)(C) -33.1PredN
C(CC=C(Br)Br)11227213.9C4H6Br21,1-dibromobut-1-eneN126C(CC=C(Br)Br)InChI=1S/C4H6Br2/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=IFTGEZOPUAJVMG-UHFFFAOYSA-N175.6Ex 175.61(BP est) -24.44(MP est) ----(BP exp) ----(MP exp) C(CC=C(Br)Br) -24.4PredN
C(C)=C(C(Br)Br)11228213.9C4H6Br21,1-dibromobut-2-eneN126C(C)=C(C(Br)Br)InChI=1S/C4H6Br2/c1-2-3-4(5)6/h2-4H,1H3InChIKey=LYDPKLYSAAHRAO-UHFFFAOYSA-N168.6Ex 168.64(BP est) -27.00(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(Br)Br) -27PredN
C(C1)(CC1(Br)Br)11229213.9C4H6Br21,1-dibromocyclobutaneN126C(C1)(CC1(Br)Br)InChI=1S/C4H6Br2/c5-4(6)2-1-3-4/h1-3H2InChIKey=OMVVCERCDNKSEN-UHFFFAOYSA-N169.3Ex 169.26(BP est) 2.38(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1(Br)Br) 2.4PredN
C(Br)(C)(C1)(C1Br)11230213.9C4H6Br21,2-dibromo-1-methylcyclopropaneN126C(Br)(C)(C1)(C1Br)InChI=1S/C4H6Br2/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=OTQAXWOXZBLDFD-UHFFFAOYSA-N161.1Ex 161.08(BP est) -0.36(MP est) ----(BP exp) ----(MP exp) C(Br)(C)(C1)(C1Br) -0.4PredN
C(C)(C1Br)(C1Br)11231213.9C4H6Br21,2-dibromo-3-methylcyclopropaneN126C(C)(C1Br)(C1Br)InChI=1S/C4H6Br2/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=KSZBOKXYPWKADY-UHFFFAOYSA-N166.2Ex 166.19(BP est) -12.94(MP est) ----(BP exp) ----(MP exp) C(C)(C1Br)(C1Br) -12.9PredN
CCC(Br)=CBr11232213.9C4H6Br21,2-dibromobut-1-eneN126CCC(Br)=CBrInChI=1S/C4H6Br2/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=QIJZNDSLUNIYAD-UHFFFAOYSA-N150.0Ex 175.61(BP est) -24.44(MP est) 150.00(BP exp) -49.50(MP exp) CCC(Br)=CBr -49.5ExptN
C(C)=C(Br)(CBr)11233213.9C4H6Br21,2-dibromobut-2-eneN126C(C)=C(Br)(CBr)InChI=1S/C4H6Br2/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=VFPLAXWLJIGINL-UHFFFAOYSA-N175.6Ex 175.61(BP est) -24.44(MP est) ----(BP exp) ----(MP exp) C(C)=C(Br)(CBr) -24.4PredN
C(C1)(C(Br)C1Br)11234213.9C4H6Br21,2-dibromocyclobutaneN126C(C1)(C(Br)C1Br)InChI=1S/C4H6Br2/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=LGAGUISFTUGUHO-UHFFFAOYSA-N174.3Ex 174.29(BP est) -10.22(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Br)C1Br) -10.2PredN
C(Br)=C(C)(CBr)11235213.9C4H6Br21,3-dibromo-2-methylprop-1-eneN126C(Br)=C(C)(CBr)InChI=1S/C4H6Br2/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=ZGUSGHWDLWVHBI-UHFFFAOYSA-N175.6Ex 175.61(BP est) -24.44(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C)(CBr) -24.4PredN
C(C(Br)C=CBr)11236213.9C4H6Br21,3-dibromobut-1-eneN126C(C(Br)C=CBr)InChI=1S/C4H6Br2/c1-4(6)2-3-5/h2-4H,1H3InChIKey=DEZKWUPOAFWTSQ-UHFFFAOYSA-N168.6Ex 168.64(BP est) -27.00(MP est) ----(BP exp) ----(MP exp) C(C(Br)C=CBr) -27PredN
C(CBr)=C(Br)(C)11237213.9C4H6Br21,3-dibromobut-2-eneN126C(CBr)=C(Br)(C)InChI=1S/C4H6Br2/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=CXCKBPHWDONPBF-UHFFFAOYSA-N175.6Ex 175.61(BP est) -24.44(MP est) ----(BP exp) ----(MP exp) C(CBr)=C(Br)(C) -24.4PredN
C(C1Br)(C(Br)C1)11238213.9C4H6Br21,3-dibromocyclobutaneN126C(C1Br)(C(Br)C1)InChI=1S/C4H6Br2/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=KEPQZXFTLUPYKL-UHFFFAOYSA-N174.3Ex 174.29(BP est) -10.22(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C(Br)C1) -10.2PredN
C(Br)(CC=CBr)11239213.9C4H6Br21,4-dibromobut-1-eneN126C(Br)(CC=CBr)InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=LJVHJHLTRBXGMH-UHFFFAOYSA-N181.3Ex 181.31(BP est) -15.80(MP est) ----(BP exp) ----(MP exp) C(Br)(CC=CBr) -15.8PredN
C(CBr)=C(CBr)11240213.9C4H6Br21,4-dibromobut-2-eneN126C(CBr)=C(CBr)InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=RMXLHIUHKIVPAB-UHFFFAOYSA-N205.0Ex 181.31(BP est) -15.80(MP est) 203.00(BP exp) 53.40(MP exp) C(CBr)=C(CBr) 53.4ExptN
C(Br)(CBr)(C1)(C1)11241213.9C4H6Br21-bromo-1-(bromomethyl)cyclopropaneN126C(Br)(CBr)(C1)(C1)InChI=1S/C4H6Br2/c5-3-4(6)1-2-4/h1-3H2InChIKey=HHXZZHIABZWERE-UHFFFAOYSA-N167.3Ex 167.30(BP est) 3.57(MP est) ----(BP exp) ----(MP exp) C(Br)(CBr)(C1)(C1) 3.6PredN
C(CBr)(C1)(C1Br)11242213.9C4H6Br21-bromo-2-(bromomethyl)cyclopropaneN126C(CBr)(C1)(C1Br)InChI=1S/C4H6Br2/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=ATGIYOYJPRAQHT-UHFFFAOYSA-N172.4Ex 172.35(BP est) -9.02(MP est) ----(BP exp) ----(MP exp) C(CBr)(C1)(C1Br) -9PredN
CC(C(Br)=C)Br11244213.9C4H6Br22,3-dibromobut-1-eneN126CC(C(Br)=C)BrInChI=1S/C4H6Br2/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=WXKJLTYKBGYLCV-UHFFFAOYSA-N154.5Ex 154.49(BP est) -36.45(MP est) ----(BP exp) ----(MP exp) CC(C(Br)=C)Br -36.5PredN
C(Br)(C)=C(Br)(C)11245213.9C4H6Br22,3-dibromobut-2-eneN126C(Br)(C)=C(Br)(C)InChI=1S/C4H6Br2/c1-3(5)4(2)6/h1-2H3InChIKey=SDEHPRGMSHJNMU-UHFFFAOYSA-N169.9Ex 169.85(BP est) -33.10(MP est) ----(BP exp) ----(MP exp) C(Br)(C)=C(Br)(C) -33.1PredN
C(Br)(CC(Br)=C)11246213.9C4H6Br22,4-dibromobut-1-eneN126C(Br)(CC(Br)=C)InChI=1S/C4H6Br2/c1-4(6)2-3-5/h1-3H2InChIKey=AJBMCYZPJQVMEM-UHFFFAOYSA-N167.5Ex 167.51(BP est) -25.14(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(Br)=C) -25.1PredN
C=C(C(Br)Br)C11247213.9C4H6Br23,3-dibromo-2-methylprop-1-eneN126C=C(C(Br)Br)CInChI=1S/C4H6Br2/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=QYGRUAORRKAFDB-UHFFFAOYSA-N154.5Ex 154.49(BP est) -36.45(MP est) ----(BP exp) ----(MP exp) C=C(C(Br)Br)C -36.5PredN
CC(Br)(C=C)Br11248213.9C4H6Br23,3-dibromobut-1-eneN126CC(Br)(C=C)BrInChI=1S/C4H6Br2/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=XPLIFVOZAZKSNX-UHFFFAOYSA-N151.8Ex 151.78(BP est) -21.55(MP est) ----(BP exp) ----(MP exp) CC(Br)(C=C)Br -21.6PredN
C(Br)(C(Br)C=C)11249213.9C4H6Br23,4-dibromobut-1-eneN126C(Br)(C(Br)C=C)InChI=1S/C4H6Br2/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=ZBQFRDTZYRRHRU-UHFFFAOYSA-N160.4Ex 160.43(BP est) -27.73(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)C=C) -27.7PredN
C=C(CBr)(CBr)11250213.9C4H6Br23-bromo-2-(bromomethyl)prop-1-eneN126C=C(CBr)(CBr)InChI=1S/C4H6Br2/c1-4(2-5)3-6/h1-3H2InChIKey=BDHXXBPPYQRWMC-UHFFFAOYSA-N167.5Ex 167.51(BP est) -25.14(MP est) ----(BP exp) ----(MP exp) C=C(CBr)(CBr) -25.1PredN
C(Br)(Br)(CC=C)11251213.9C4H6Br24,4-dibromobut-1-eneN126C(Br)(Br)(CC=C)InChI=1S/C4H6Br2/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=INEBFQSPUIBFNL-UHFFFAOYSA-N160.4Ex 160.43(BP est) -27.73(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(CC=C) -27.7PredN
O=PC(I)C=C11252213.942C3H4IOP(1-iodoallyl)(oxo)phosphaneN106O=PC(I)C=CInChI=1S/C3H4IOP/c1-2-3(4)6-5/h2-3H,1H2InChIKey=SITSBTXBTPDFEG-UHFFFAOYSA-N196.7Ex 196.68(BP est) -20.37(MP est) ----(BP exp) ----(MP exp) O=PC(I)C=C -20.4PredN
O=PCC(I)=C11253213.942C3H4IOP(2-iodoallyl)(oxo)phosphaneN106O=PCC(I)=CInChI=1S/C3H4IOP/c1-3(4)2-6-5/h1-2H2InChIKey=VLHDTNAMFRVQKL-UHFFFAOYSA-N203.3Ex 203.25(BP est) -17.93(MP est) ----(BP exp) ----(MP exp) O=PCC(I)=C -17.9PredN
O=PCC=CI11254213.942C3H4IOP(3-iodoallyl)(oxo)phosphaneN106O=PCC=CIInChI=1S/C3H4IOP/c4-2-1-3-6-5/h1-2H,3H2InChIKey=CEXWWXKJTKSODK-UHFFFAOYSA-N216.0Ex 216.01(BP est) -8.89(MP est) ----(BP exp) ----(MP exp) O=PCC=CI -8.9PredN
IC#CPOC11255213.942C3H4IOP(iodoethynyl)(methoxy)phosphaneN106IC#CPOCInChI=1S/C3H4IOP/c1-5-6-3-2-4/h6H,1H3InChIKey=YWRCEALZPQJTOJ-UHFFFAOYSA-N188.5Ex 188.47(BP est) 24.09(MP est) ----(BP exp) ----(MP exp) IC#CPOC 24.1PredN
O=P(C)C#CI11256213.942C3H4IOP(iodoethynyl)(methyl)phosphine oxideN106O=P(C)C#CIInChI=1S/C3H4IOP/c1-6(5)3-2-4/h6H,1H3InChIKey=IJUOEIVDYCZOHY-UHFFFAOYSA-N222.2Ex 222.17(BP est) 32.23(MP est) ----(BP exp) ----(MP exp) O=P(C)C#CI 32.2PredN
O=P1C=CC1I11257213.942C3H4IOP2-iodo-2H-phosphete 1-oxideN106O=P1C=CC1IInChI=1S/C3H4IOP/c4-3-1-2-6(3)5/h1-3,6HInChIKey=FPHQTRDWLXVQIQ-UHFFFAOYSA-N214.1Ex 214.11(BP est) -5.74(MP est) ----(BP exp) ----(MP exp) O=P1C=CC1I -5.7PredN
O=P1C=C(I)C111259213.942C3H4IOP3-iodo-2H-phosphete 1-oxideN106O=P1C=C(I)C1InChI=1S/C3H4IOP/c4-3-1-6(5)2-3/h1,6H,2H2InChIKey=PFZUIBRNRONKPL-UHFFFAOYSA-N218.0Ex 218.02(BP est) 3.79(MP est) ----(BP exp) ----(MP exp) O=P1C=C(I)C1 3.8PredN
O=P1C(I)=CC111261213.942C3H4IOP4-iodo-2H-phosphete 1-oxideN106O=P1C(I)=CC1InChI=1S/C3H4IOP/c4-3-1-2-6(3)5/h1,6H,2H2InChIKey=SQKHYYJEZKSIHZ-UHFFFAOYSA-N218.0Ex 218.02(BP est) 3.79(MP est) ----(BP exp) ----(MP exp) O=P1C(I)=CC1 3.8PredN
O=P(CI)C#C11264213.942C3H4IOPethynyl(iodomethyl)phosphine oxideN106O=P(CI)C#CInChI=1S/C3H4IOP/c1-2-6(5)3-4/h1,6H,3H2InChIKey=CHTWHNATIPTSMZ-UHFFFAOYSA-N215.1Ex 215.06(BP est) 8.68(MP est) ----(BP exp) ----(MP exp) O=P(CI)C#C 8.7PredN
CPC(C=C)I11268213.986C4H8IP(1-iodoallyl)(methyl)phosphaneN146CPC(C=C)IInChI=1S/C4H8IP/c1-3-4(5)6-2/h3-4,6H,1H2,2H3InChIKey=PXGKYWCKYCWCIP-UHFFFAOYSA-N158.1Ex 158.11(BP est) -51.68(MP est) ----(BP exp) ----(MP exp) CPC(C=C)I -51.7PredN
IC(PC=C)C11269213.986C4H8IP(1-iodoethyl)(vinyl)phosphaneN146IC(PC=C)CInChI=1S/C4H8IP/c1-3-6-4(2)5/h3-4,6H,1H2,2H3InChIKey=PLMJULFROYGOQH-UHFFFAOYSA-N158.1Ex 158.11(BP est) -51.68(MP est) ----(BP exp) ----(MP exp) IC(PC=C)C -51.7PredN
CP(C)C(I)=C11270213.986C4H8IP(1-iodovinyl)dimethylphosphaneN146CP(C)C(I)=CInChI=1S/C4H8IP/c1-4(5)6(2)3/h1H2,2-3H3InChIKey=GTCDXTXDLSSWCM-UHFFFAOYSA-N166.1Ex 166.09(BP est) -49.52(MP est) ----(BP exp) ----(MP exp) CP(C)C(I)=C -49.5PredN
CPCC(I)=C11271213.986C4H8IP(2-iodoallyl)(methyl)phosphaneN146CPCC(I)=CInChI=1S/C4H8IP/c1-4(5)3-6-2/h6H,1,3H2,2H3InChIKey=KCEURYUFLZGCBN-UHFFFAOYSA-N165.2Ex 165.23(BP est) -49.08(MP est) ----(BP exp) ----(MP exp) CPCC(I)=C -49.1PredN
ICCPC=C11272213.986C4H8IP(2-iodoethyl)(vinyl)phosphaneN146ICCPC=CInChI=1S/C4H8IP/c1-2-6-4-3-5/h2,6H,1,3-4H2InChIKey=RYWIGIJHEIAXQY-UHFFFAOYSA-N171.0Ex 171.04(BP est) -40.40(MP est) ----(BP exp) ----(MP exp) ICCPC=C -40.4PredN
CP(C)C=CI11273213.986C4H8IP(2-iodovinyl)dimethylphosphaneN146CP(C)C=CIInChI=1S/C4H8IP/c1-6(2)4-3-5/h3-4H,1-2H3InChIKey=MWSIBAWVUHMCKS-UHFFFAOYSA-N179.9Ex 179.92(BP est) -40.16(MP est) ----(BP exp) ----(MP exp) CP(C)C=CI -40.2PredN
CPCC=CI11274213.986C4H8IP(3-iodoallyl)(methyl)phosphaneN146CPCC=CIInChI=1S/C4H8IP/c1-6-4-2-3-5/h2-3,6H,4H2,1H3InChIKey=WSHODTPDRXJQIU-UHFFFAOYSA-N179.1Ex 179.09(BP est) -39.72(MP est) ----(BP exp) ----(MP exp) CPCC=CI -39.7PredN
CP(CI)C=C11275213.986C4H8IP(iodomethyl)(methyl)(vinyl)phosphaneN146CP(CI)C=CInChI=1S/C4H8IP/c1-3-6(2)4-5/h3H,1,4H2,2H3InChIKey=VIYRHRUMEUJODJ-UHFFFAOYSA-N171.9Ex 171.89(BP est) -40.84(MP est) ----(BP exp) ----(MP exp) CP(CI)C=C -40.8PredN
IC(P1CC1)C11276213.986C4H8IP1-(1-iodoethyl)phosphiraneN146IC(P1CC1)CInChI=1S/C4H8IP/c1-4(5)6-2-3-6/h4H,2-3H2,1H3InChIKey=CHOLQHLFFFQIQU-UHFFFAOYSA-N168.5Ex 168.50(BP est) -35.60(MP est) ----(BP exp) ----(MP exp) IC(P1CC1)C -35.6PredN
ICCP1CC111277213.986C4H8IP1-(2-iodoethyl)phosphiraneN146ICCP1CC1InChI=1S/C4H8IP/c5-1-2-6-3-4-6/h1-4H2InChIKey=MHXGFSJOVHGFHK-UHFFFAOYSA-N181.2Ex 181.17(BP est) -24.40(MP est) ----(BP exp) ----(MP exp) ICCP1CC1 -24.4PredN
ICP1CCC111278213.986C4H8IP1-(iodomethyl)phosphetaneN146ICP1CCC1InChI=1S/C4H8IP/c5-4-6-2-1-3-6/h1-4H2InChIKey=GTCPOQSBWBLOOL-UHFFFAOYSA-N183.1Ex 183.07(BP est) -25.61(MP est) ----(BP exp) ----(MP exp) ICP1CCC1 -25.6PredN
IC1CP1CC11279213.986C4H8IP1-ethyl-2-iodophosphiraneN146IC1CP1CCInChI=1S/C4H8IP/c1-2-6-3-4(6)5/h4H,2-3H2,1H3InChIKey=QQCBFWNFSJILKV-UHFFFAOYSA-N175.1Ex 175.12(BP est) -28.29(MP est) ----(BP exp) ----(MP exp) IC1CP1CC -28.3PredN
CP1C(I)CC111280213.986C4H8IP2-iodo-1-methylphosphetaneN146CP1C(I)CC1InChI=1S/C4H8IP/c1-6-3-2-4(6)5/h4H,2-3H2,1H3InChIKey=UFSIRJGCMRIALX-UHFFFAOYSA-N177.0Ex 177.04(BP est) -29.49(MP est) ----(BP exp) ----(MP exp) CP1C(I)CC1 -29.5PredN
IC1CCCP111281213.986C4H8IP2-iodophospholaneN146IC1CCCP1InChI=1S/C4H8IP/c5-4-2-1-3-6-4/h4,6H,1-3H2InChIKey=GIYJIDNRLCLNRI-UHFFFAOYSA-N178.1Ex 178.12(BP est) -30.25(MP est) ----(BP exp) ----(MP exp) IC1CCCP1 -30.3PredN
CP1CC(I)C111282213.986C4H8IP3-iodo-1-methylphosphetaneN146CP1CC(I)C1InChI=1S/C4H8IP/c1-6-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=VRDWPEFTRULPIA-UHFFFAOYSA-N177.0Ex 177.04(BP est) -29.49(MP est) ----(BP exp) ----(MP exp) CP1CC(I)C1 -29.5PredN
IC1CPCC111283213.986C4H8IP3-iodophospholaneN146IC1CPCC1InChI=1S/C4H8IP/c5-4-1-2-6-3-4/h4,6H,1-3H2InChIKey=WVXSNPLHLGLMLN-UHFFFAOYSA-N178.1Ex 178.12(BP est) -30.25(MP est) ----(BP exp) ----(MP exp) IC1CPCC1 -30.3PredN
ICPCC=C11284213.986C4H8IPallyl(iodomethyl)phosphaneN146ICPCC=CInChI=1S/C4H8IP/c1-2-3-6-4-5/h2,6H,1,3-4H2InChIKey=UEVDMPSUGCYMEL-UHFFFAOYSA-N171.0Ex 171.04(BP est) -40.40(MP est) ----(BP exp) ----(MP exp) ICPCC=C -40.4PredN
CCPC(I)=C11285213.986C4H8IPethyl(1-iodovinyl)phosphaneN146CCPC(I)=CInChI=1S/C4H8IP/c1-3-6-4(2)5/h6H,2-3H2,1H3InChIKey=CIGPLBMAFWZGNU-UHFFFAOYSA-N165.2Ex 165.23(BP est) -49.08(MP est) ----(BP exp) ----(MP exp) CCPC(I)=C -49.1PredN
CCPC=CI11286213.986C4H8IPethyl(2-iodovinyl)phosphaneN146CCPC=CIInChI=1S/C4H8IP/c1-2-6-4-3-5/h3-4,6H,2H2,1H3InChIKey=KUBXLZYHYVMIMM-UHFFFAOYSA-N179.1Ex 179.09(BP est) -39.72(MP est) ----(BP exp) ----(MP exp) CCPC=CI -39.7PredN
CSC(I)(C=C)11287214.064C4H7IS(1-iodoallyl)(methyl)sulfaneN136CSC(I)(C=C)InChI=1S/C4H7IS/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=AJHBSSOJKAMVAV-UHFFFAOYSA-N183.4Ex 183.38(BP est) -34.60(MP est) ----(BP exp) ----(MP exp) CSC(I)(C=C) -34.6PredN
CSC(I)(C1)(C1)11288214.064C4H7IS(1-iodocyclopropyl)(methyl)sulfaneN136CSC(I)(C1)(C1)InChI=1S/C4H7IS/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=DRCYJTWYAIWPMN-UHFFFAOYSA-N189.9Ex 189.94(BP est) -3.39(MP est) ----(BP exp) ----(MP exp) CSC(I)(C1)(C1) -3.4PredN
SCC(I)(C1)(C1)11289214.064C4H7IS(1-iodocyclopropyl)methanethiolN136SCC(I)(C1)(C1)InChI=1S/C4H7IS/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=SHXFNMKROFISDJ-UHFFFAOYSA-N202.0Ex 201.99(BP est) 1.16(MP est) ----(BP exp) ----(MP exp) SCC(I)(C1)(C1) 1.2PredN
C(I)(C)SC=C11290214.064C4H7IS(1-iodoethyl)(vinyl)sulfaneN136C(I)(C)SC=CInChI=1S/C4H7IS/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=VQKBFIMBVQRLQW-UHFFFAOYSA-N183.4Ex 183.38(BP est) -34.60(MP est) ----(BP exp) ----(MP exp) C(I)(C)SC=C -34.6PredN
CSC(I)=C(C)11291214.064C4H7IS(1-iodoprop-1-en-1-yl)(methyl)sulfaneN136CSC(I)=C(C)InChI=1S/C4H7IS/c1-3-4(5)6-2/h3H,1-2H3InChIKey=BYDWJFNWDVTGQM-UHFFFAOYSA-N197.9Ex 197.87(BP est) -31.51(MP est) ----(BP exp) ----(MP exp) CSC(I)=C(C) -31.5PredN
CSC(C)=C(I)11292214.064C4H7IS(1-iodoprop-1-en-2-yl)(methyl)sulfaneN136CSC(C)=C(I)InChI=1S/C4H7IS/c1-4(3-5)6-2/h3H,1-2H3InChIKey=QSOIZXNZUZTZHN-UHFFFAOYSA-N197.9Ex 197.87(BP est) -31.51(MP est) ----(BP exp) ----(MP exp) CSC(C)=C(I) -31.5PredN
CSC(C(I)=C)11293214.064C4H7IS(2-iodoallyl)(methyl)sulfaneN136CSC(C(I)=C)InChI=1S/C4H7IS/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=UQNQAFOKMJACJN-UHFFFAOYSA-N190.1Ex 190.14(BP est) -32.11(MP est) ----(BP exp) ----(MP exp) CSC(C(I)=C) -32.1PredN
CSC(C1)(C1I)11294214.064C4H7IS(2-iodocyclopropyl)(methyl)sulfaneN136CSC(C1)(C1I)InChI=1S/C4H7IS/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=FBGNDICAHMESAJ-UHFFFAOYSA-N194.8Ex 194.76(BP est) -16.05(MP est) ----(BP exp) ----(MP exp) CSC(C1)(C1I) -16.1PredN
SCC(C1)(C1I)11295214.064C4H7IS(2-iodocyclopropyl)methanethiolN136SCC(C1)(C1I)InChI=1S/C4H7IS/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=WBBJUWBRJAWHLM-UHFFFAOYSA-N206.7Ex 206.68(BP est) -11.54(MP est) ----(BP exp) ----(MP exp) SCC(C1)(C1I) -11.5PredN
C(CI)SC=C11296214.064C4H7IS(2-iodoethyl)(vinyl)sulfaneN136C(CI)SC=CInChI=1S/C4H7IS/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=JTUIKFATMKFYFO-UHFFFAOYSA-N195.7Ex 195.66(BP est) -23.52(MP est) ----(BP exp) ----(MP exp) C(CI)SC=C -23.5PredN
CSC=C(I)(C)11297214.064C4H7IS(2-iodoprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(I)(C)InChI=1S/C4H7IS/c1-4(5)3-6-2/h3H,1-2H3InChIKey=IKBAGVNICLHVLU-UHFFFAOYSA-N197.9Ex 197.87(BP est) -31.51(MP est) ----(BP exp) ----(MP exp) CSC=C(I)(C) -31.5PredN
CSC(C=CI)11298214.064C4H7IS(3-iodoallyl)(methyl)sulfaneN136CSC(C=CI)InChI=1S/C4H7IS/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=ZFOFZBWMVNOKGU-UHFFFAOYSA-N203.3Ex 203.29(BP est) -22.95(MP est) ----(BP exp) ----(MP exp) CSC(C=CI) -23PredN
CSC=C(CI)11299214.064C4H7IS(3-iodoprop-1-en-1-yl)(methyl)sulfaneN136CSC=C(CI)InChI=1S/C4H7IS/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=BJFOKQJQGGCQGL-UHFFFAOYSA-N203.3Ex 203.29(BP est) -22.95(MP est) ----(BP exp) ----(MP exp) CSC=C(CI) -23PredN
CSC(CI)=C11300214.064C4H7IS(3-iodoprop-1-en-2-yl)(methyl)sulfaneN136CSC(CI)=CInChI=1S/C4H7IS/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=AVPLRPKEGHIYCT-UHFFFAOYSA-N190.1Ex 190.14(BP est) -32.11(MP est) ----(BP exp) ----(MP exp) CSC(CI)=C -32.1PredN
C(I)SC=C(C)11301214.064C4H7IS(iodomethyl)(prop-1-en-1-yl)sulfaneN136C(I)SC=C(C)InChI=1S/C4H7IS/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=ZHWXNMYXKJJZQT-UHFFFAOYSA-N203.3Ex 203.29(BP est) -22.95(MP est) ----(BP exp) ----(MP exp) C(I)SC=C(C) -23PredN
C(I)SC(C)=C11302214.064C4H7IS(iodomethyl)(prop-1-en-2-yl)sulfaneN136C(I)SC(C)=CInChI=1S/C4H7IS/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=RXPIBUOKOJFKOS-UHFFFAOYSA-N190.1Ex 190.14(BP est) -32.11(MP est) ----(BP exp) ----(MP exp) C(I)SC(C)=C -32.1PredN
SC(CI)(C1)(C1)11303214.064C4H7IS1-(iodomethyl)cyclopropane-1-thiolN136SC(CI)(C1)(C1)InChI=1S/C4H7IS/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=IEZBPXJSXAUYFJ-UHFFFAOYSA-N202.0Ex 201.99(BP est) 1.16(MP est) ----(BP exp) ----(MP exp) SC(CI)(C1)(C1) 1.2PredN
SC(I)(CC=C)11304214.064C4H7IS1-iodobut-3-ene-1-thiolN136SC(I)(CC=C)InChI=1S/C4H7IS/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=BKDHGRKFPPPMGV-UHFFFAOYSA-N195.6Ex 195.60(BP est) -30.00(MP est) ----(BP exp) ----(MP exp) SC(I)(CC=C) -30PredN
SC(CI)(C=C)11305214.064C4H7IS1-iodobut-3-ene-2-thiolN136SC(CI)(C=C)InChI=1S/C4H7IS/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=SNWCVVKKYABKGW-UHFFFAOYSA-N195.6Ex 195.60(BP est) -30.00(MP est) ----(BP exp) ----(MP exp) SC(CI)(C=C) -30PredN
SC(I)(C1)(CC1)11306214.064C4H7IS1-iodocyclobutane-1-thiolN136SC(I)(C1)(CC1)InChI=1S/C4H7IS/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=RMJHSGUXBBDCCD-UHFFFAOYSA-N203.8Ex 203.81(BP est) -0.07(MP est) ----(BP exp) ----(MP exp) SC(I)(C1)(CC1) -0.1PredN
IC(C)C1CS111307214.064C4H7IS2-(1-iodoethyl)thiiraneN136IC(C)C1CS1InChI=1S/C4H7IS/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=UYLUEKLTCGOIHS-UHFFFAOYSA-N186.2Ex 186.17(BP est) -2.41(MP est) ----(BP exp) ----(MP exp) IC(C)C1CS1 -2.4PredN
ICCC1CS111308214.064C4H7IS2-(2-iodoethyl)thiiraneN136ICCC1CS1InChI=1S/C4H7IS/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=ILWGDRFKMBZLGF-UHFFFAOYSA-N198.4Ex 198.39(BP est) 8.65(MP est) ----(BP exp) ----(MP exp) ICCC1CS1 8.7PredN
CC1(CI)CS111309214.064C4H7IS2-(iodomethyl)-2-methylthiiraneN136CC1(CI)CS1InChI=1S/C4H7IS/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=OUROQRQXPMXOHB-UHFFFAOYSA-N187.7Ex 187.71(BP est) 17.49(MP est) ----(BP exp) ----(MP exp) CC1(CI)CS1 17.5PredN
CC1C(CI)S111310214.064C4H7IS2-(iodomethyl)-3-methylthiiraneN136CC1C(CI)S1InChI=1S/C4H7IS/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=MAFIGCXDAJFIDK-UHFFFAOYSA-N192.6Ex 192.55(BP est) 4.83(MP est) ----(BP exp) ----(MP exp) CC1C(CI)S1 4.8PredN
ICC1SCC111311214.064C4H7IS2-(iodomethyl)thietaneN136ICC1SCC1InChI=1S/C4H7IS/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=SJEGJVVTVCTTMZ-UHFFFAOYSA-N200.2Ex 200.21(BP est) 7.43(MP est) ----(BP exp) ----(MP exp) ICC1SCC1 7.4PredN
IC1(CC)CS111312214.064C4H7IS2-ethyl-2-iodothiiraneN136IC1(CC)CS1InChI=1S/C4H7IS/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=GZVBUJBECDEVLK-UHFFFAOYSA-N187.7Ex 187.71(BP est) 17.49(MP est) ----(BP exp) ----(MP exp) IC1(CC)CS1 17.5PredN
IC1C(CC)S111313214.064C4H7IS2-ethyl-3-iodothiiraneN136IC1C(CC)S1InChI=1S/C4H7IS/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=RLEHBMSQCYQYQK-UHFFFAOYSA-N192.6Ex 192.55(BP est) 4.83(MP est) ----(BP exp) ----(MP exp) IC1C(CC)S1 4.8PredN
SC(C)(C1)(C1I)11314214.064C4H7IS2-iodo-1-methylcyclopropane-1-thiolN136SC(C)(C1)(C1I)InChI=1S/C4H7IS/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=YPANRPFPBDVAND-UHFFFAOYSA-N196.2Ex 196.21(BP est) -2.65(MP est) ----(BP exp) ----(MP exp) SC(C)(C1)(C1I) -2.7PredN
CC1C(I)(C)S111315214.064C4H7IS2-iodo-2,3-dimethylthiiraneN136CC1C(I)(C)S1InChI=1S/C4H7IS/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=UHZXKQQNONKSFH-UHFFFAOYSA-N181.8Ex 181.75(BP est) 13.62(MP est) ----(BP exp) ----(MP exp) CC1C(I)(C)S1 13.6PredN
IC1(C)SCC111316214.064C4H7IS2-iodo-2-methylthietaneN136IC1(C)SCC1InChI=1S/C4H7IS/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=YVJVEQSQTHFLDO-UHFFFAOYSA-N189.6Ex 189.59(BP est) 16.27(MP est) ----(BP exp) ----(MP exp) IC1(C)SCC1 16.3PredN
IC1SCC1C11317214.064C4H7IS2-iodo-3-methylthietaneN136IC1SCC1CInChI=1S/C4H7IS/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=OSNKDIYNULBLOJ-UHFFFAOYSA-N194.4Ex 194.41(BP est) 3.61(MP est) ----(BP exp) ----(MP exp) IC1SCC1C 3.6PredN
IC1CC(C)S111318214.064C4H7IS2-iodo-4-methylthietaneN136IC1CC(C)S1InChI=1S/C4H7IS/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=MNLNXEKXTOFOMC-UHFFFAOYSA-N194.4Ex 194.41(BP est) 3.61(MP est) ----(BP exp) ----(MP exp) IC1CC(C)S1 3.6PredN
SC(C(I)C=C)11319214.064C4H7IS2-iodobut-3-ene-1-thiolN136SC(C(I)C=C)InChI=1S/C4H7IS/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=JBZYNLHWUDLTHI-UHFFFAOYSA-N195.6Ex 195.60(BP est) -30.00(MP est) ----(BP exp) ----(MP exp) SC(C(I)C=C) -30PredN
SC(I)(C)(C=C)11320214.064C4H7IS2-iodobut-3-ene-2-thiolN136SC(I)(C)(C=C)InChI=1S/C4H7IS/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=HVVKTGFUSAHKMA-UHFFFAOYSA-N187.6Ex 187.56(BP est) -23.64(MP est) ----(BP exp) ----(MP exp) SC(I)(C)(C=C) -23.6PredN
SC(C1)(C(I)C1)11321214.064C4H7IS2-iodocyclobutane-1-thiolN136SC(C1)(C(I)C1)InChI=1S/C4H7IS/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=MEOMGJFQPMCXGR-UHFFFAOYSA-N208.5Ex 208.47(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) SC(C1)(C(I)C1) -12.8PredN
C(C1)SC(I)(C1)11322214.064C4H7IS2-iodotetrahydrothiopheneN136C(C1)SC(I)(C1)InChI=1S/C4H7IS/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=BOVHLFCEBCLFSJ-UHFFFAOYSA-N202.0Ex 202.03(BP est) 6.20(MP est) ----(BP exp) ----(MP exp) C(C1)SC(I)(C1) 6.2PredN
ICC1CSC111323214.064C4H7IS3-(iodomethyl)thietaneN136ICC1CSC1InChI=1S/C4H7IS/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=OUCDKHKCLAFFDT-UHFFFAOYSA-N200.2Ex 200.21(BP est) 7.43(MP est) ----(BP exp) ----(MP exp) ICC1CSC1 7.4PredN
IC1C(C)(C)S111324214.064C4H7IS3-iodo-2,2-dimethylthiiraneN136IC1C(C)(C)S1InChI=1S/C4H7IS/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=JBEVMRQUPFWYKA-UHFFFAOYSA-N181.8Ex 181.75(BP est) 13.62(MP est) ----(BP exp) ----(MP exp) IC1C(C)(C)S1 13.6PredN
CC1SCC1I11325214.064C4H7IS3-iodo-2-methylthietaneN136CC1SCC1IInChI=1S/C4H7IS/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=JSFDNUYLELUNHY-UHFFFAOYSA-N194.4Ex 194.41(BP est) 3.61(MP est) ----(BP exp) ----(MP exp) CC1SCC1I 3.6PredN
IC1(C)CSC111326214.064C4H7IS3-iodo-3-methylthietaneN136IC1(C)CSC1InChI=1S/C4H7IS/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=CCTPOMQLMVBZOM-UHFFFAOYSA-N189.6Ex 189.59(BP est) 16.27(MP est) ----(BP exp) ----(MP exp) IC1(C)CSC1 16.3PredN
SC(CC(I)=C)11327214.064C4H7IS3-iodobut-3-ene-1-thiolN136SC(CC(I)=C)InChI=1S/C4H7IS/c1-4(5)2-3-6/h6H,1-3H2InChIKey=ATANXCRBGNHPBF-UHFFFAOYSA-N202.2Ex 202.19(BP est) -27.56(MP est) ----(BP exp) ----(MP exp) SC(CC(I)=C) -27.6PredN
SC(C)(C(I)=C)11328214.064C4H7IS3-iodobut-3-ene-2-thiolN136SC(C)(C(I)=C)InChI=1S/C4H7IS/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=SSPXZSBOJUPYOF-UHFFFAOYSA-N190.1Ex 190.08(BP est) -38.60(MP est) ----(BP exp) ----(MP exp) SC(C)(C(I)=C) -38.6PredN
SC(C1)(CC1I)11329214.064C4H7IS3-iodocyclobutane-1-thiolN136SC(C1)(CC1I)InChI=1S/C4H7IS/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=KFVRVGCXBGIUBE-UHFFFAOYSA-N208.5Ex 208.47(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) SC(C1)(CC1I) -12.8PredN
C(C1)SC(C1I)11330214.064C4H7IS3-iodotetrahydrothiopheneN136C(C1)SC(C1I)InChI=1S/C4H7IS/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=NEVYXFHQONQXTD-UHFFFAOYSA-N202.0Ex 202.03(BP est) 6.20(MP est) ----(BP exp) ----(MP exp) C(C1)SC(C1I) 6.2PredN
SC(CC=CI)11331214.064C4H7IS4-iodobut-3-ene-1-thiolN136SC(CC=CI)InChI=1S/C4H7IS/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=UAUNKMPDGNBTDE-UHFFFAOYSA-N215.0Ex 214.98(BP est) -18.51(MP est) ----(BP exp) ----(MP exp) SC(CC=CI) -18.5PredN
SC(C)(C=CI)11332214.064C4H7IS4-iodobut-3-ene-2-thiolN136SC(C)(C=CI)InChI=1S/C4H7IS/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=BNVGPWLTVSHJAM-UHFFFAOYSA-N203.2Ex 203.23(BP est) -29.44(MP est) ----(BP exp) ----(MP exp) SC(C)(C=CI) -29.4PredN
C(I)SC(C=C)11333214.064C4H7ISallyl(iodomethyl)sulfaneN136C(I)SC(C=C)InChI=1S/C4H7IS/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=VYQLMGHQWMJUTO-UHFFFAOYSA-N195.7Ex 195.66(BP est) -23.52(MP est) ----(BP exp) ----(MP exp) C(I)SC(C=C) -23.5PredN
C(I)SC(C1)(C1)11334214.064C4H7IScyclopropyl(iodomethyl)sulfaneN136C(I)SC(C1)(C1)InChI=1S/C4H7IS/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=SNRUNXKKEZKLBY-UHFFFAOYSA-N200.6Ex 200.56(BP est) -12.24(MP est) ----(BP exp) ----(MP exp) C(I)SC(C1)(C1) -12.2PredN
SC(I)C(C1)(C1)11335214.064C4H7IScyclopropyliodomethanethiolN136SC(I)C(C1)(C1)InChI=1S/C4H7IS/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=GJWYAWZURWCZNH-UHFFFAOYSA-N200.5Ex 200.50(BP est) -18.72(MP est) ----(BP exp) ----(MP exp) SC(I)C(C1)(C1) -18.7PredN
C(C)SC(I)=C11336214.064C4H7ISethyl(1-iodovinyl)sulfaneN136C(C)SC(I)=CInChI=1S/C4H7IS/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=ASUHVQGNOQRQNJ-UHFFFAOYSA-N190.1Ex 190.14(BP est) -32.11(MP est) ----(BP exp) ----(MP exp) C(C)SC(I)=C -32.1PredN
C(C)SC=C(I)11337214.064C4H7ISethyl(2-iodovinyl)sulfaneN136C(C)SC=C(I)InChI=1S/C4H7IS/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=PJGDAEYPUOBIPI-UHFFFAOYSA-N203.3Ex 203.29(BP est) -22.95(MP est) ----(BP exp) ----(MP exp) C(C)SC=C(I) -23PredN
C[Si](C)(CI)C11338214.121C4H11ISi(iodomethyl)trimethylsilaneN176C[Si](C)(CI)CInChI=1S/C4H11ISi/c1-6(2,3)4-5/h4H2,1-3H3InChIKey=VZNYXGQMDSRJAL-UHFFFAOYSA-N135.5Ex 135.49(BP est) -53.47(MP est) ----(BP exp) ----(MP exp) C[Si](C)(CI)C -53.5PredN
C(Cl)(I)=C(C1)(C1)11339214.43C4H4ClI(chloroiodomethylene)cyclopropaneN106C(Cl)(I)=C(C1)(C1)InChI=1S/C4H4ClI/c5-4(6)3-1-2-3/h1-2H2InChIKey=YMYRNACDQNSSLM-UHFFFAOYSA-N175.7Ex 175.71(BP est) -21.41(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)=C(C1)(C1) -21.4PredN
ClC(I)C1=CC111340214.43C4H4ClI1-(chloroiodomethyl)cycloprop-1-eneN106ClC(I)C1=CC1InChI=1S/C4H4ClI/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=PVPOQXOIMUNGAK-UHFFFAOYSA-N180.2Ex 180.19(BP est) -19.16(MP est) ----(BP exp) ----(MP exp) ClC(I)C1=CC1 -19.2PredN
IC(C1)=C1CCl11341214.43C4H4ClI1-(chloromethyl)-2-iodocycloprop-1-eneN106IC(C1)=C1CClInChI=1S/C4H4ClI/c5-2-3-1-4(3)6/h1-2H2InChIKey=PEJFELPKFWDKSR-UHFFFAOYSA-N201.8Ex 201.78(BP est) 0.90(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1CCl 0.9PredN
ClCC1=CC1I11342214.43C4H4ClI1-(chloromethyl)-3-iodocycloprop-1-eneN106ClCC1=CC1IInChI=1S/C4H4ClI/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=OVUJLQPZIPNQBQ-UHFFFAOYSA-N197.7Ex 197.72(BP est) -8.67(MP est) ----(BP exp) ----(MP exp) ClCC1=CC1I -8.7PredN
C(Cl)=C(C1)(C1I)11343214.43C4H4ClI1-(chloromethylene)-2-iodocyclopropaneN106C(Cl)=C(C1)(C1I)InChI=1S/C4H4ClI/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=IUUWIZGFPICSMO-UHFFFAOYSA-N175.4Ex 175.35(BP est) -16.66(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C1)(C1I) -16.7PredN
C=C1CC1(I)Cl11344214.43C4H4ClI1-chloro-1-iodo-2-methylenecyclopropaneN106C=C1CC1(I)ClInChI=1S/C4H4ClI/c1-3-2-4(3,5)6/h1-2H2InChIKey=POIHTZGZWQRVFU-UHFFFAOYSA-N157.8Ex 157.79(BP est) -8.17(MP est) ----(BP exp) ----(MP exp) C=C1CC1(I)Cl -8.2PredN
C(C)#C(C(Cl)I)11345214.43C4H4ClI1-chloro-1-iodobut-2-yneN106C(C)#C(C(Cl)I)InChI=1S/C4H4ClI/c1-2-3-4(5)6/h4H,1H3InChIKey=HQPCPXHTOXFBJV-UHFFFAOYSA-N184.7Ex 184.72(BP est) 17.48(MP est) ----(BP exp) ----(MP exp) C(C)#C(C(Cl)I) 17.5PredN
C=C(C=C(Cl)I)11346214.43C4H4ClI1-chloro-1-iodobuta-1,3-dieneN106C=C(C=C(Cl)I)InChI=1S/C4H4ClI/c1-2-3-4(5)6/h2-3H,1H2InChIKey=MCHQPNFOZXSDCE-UHFFFAOYSA-N168.1Ex 168.09(BP est) -43.33(MP est) ----(BP exp) ----(MP exp) C=C(C=C(Cl)I) -43.3PredN
ClC(C1)=C1CI11347214.43C4H4ClI1-chloro-2-(iodomethyl)cycloprop-1-eneN106ClC(C1)=C1CIInChI=1S/C4H4ClI/c5-4-1-3(4)2-6/h1-2H2InChIKey=DZYFGTVMUCZOOO-UHFFFAOYSA-N177.8Ex 177.78(BP est) -6.11(MP est) ----(BP exp) ----(MP exp) ClC(C1)=C1CI -6.1PredN
C(I)=C(C1)(C1Cl)11348214.43C4H4ClI1-chloro-2-(iodomethylene)cyclopropaneN106C(I)=C(C1)(C1Cl)InChI=1S/C4H4ClI/c5-4-1-3(4)2-6/h2,4H,1H2InChIKey=QCTCYOZGKVGGEV-UHFFFAOYSA-N188.5Ex 188.47(BP est) -12.83(MP est) ----(BP exp) ----(MP exp) C(I)=C(C1)(C1Cl) -12.8PredN
ClC(C1C)=C1I11349214.43C4H4ClI1-chloro-2-iodo-3-methylcycloprop-1-eneN106ClC(C1C)=C1IInChI=1S/C4H4ClI/c1-2-3(5)4(2)6/h2H,1H3InChIKey=VOXCXUKLOFJHBV-UHFFFAOYSA-N171.7Ex 171.68(BP est) -10.01(MP est) ----(BP exp) ----(MP exp) ClC(C1C)=C1I -10PredN
C=C(C1Cl)(C1I)11350214.43C4H4ClI1-chloro-2-iodo-3-methylenecyclopropaneN106C=C(C1Cl)(C1I)InChI=1S/C4H4ClI/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=CUJZWDGYISSJRH-UHFFFAOYSA-N174.5Ex 174.52(BP est) -17.36(MP est) ----(BP exp) ----(MP exp) C=C(C1Cl)(C1I) -17.4PredN
C=C(C(I)=CCl)11351214.43C4H4ClI1-chloro-2-iodobuta-1,3-dieneN106C=C(C(I)=CCl)InChI=1S/C4H4ClI/c1-2-4(6)3-5/h2-3H,1H2InChIKey=VYCSWOSRJCWCFL-UHFFFAOYSA-N168.1Ex 168.09(BP est) -43.33(MP est) ----(BP exp) ----(MP exp) C=C(C(I)=CCl) -43.3PredN
C(C1)(C(Cl)=C1I)11352214.43C4H4ClI1-chloro-2-iodocyclobut-1-eneN106C(C1)(C(Cl)=C1I)InChI=1S/C4H4ClI/c5-3-1-2-4(3)6/h1-2H2InChIKey=YZYYHDYJZOAWEJ-UHFFFAOYSA-N179.7Ex 179.69(BP est) -7.31(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Cl)=C1I) -7.3PredN
ClC1=CC1CI11353214.43C4H4ClI1-chloro-3-(iodomethyl)cycloprop-1-eneN106ClC1=CC1CIInChI=1S/C4H4ClI/c5-4-1-3(4)2-6/h1,3H,2H2InChIKey=RUSZSLZQSDUVNY-UHFFFAOYSA-N173.5Ex 173.50(BP est) -15.74(MP est) ----(BP exp) ----(MP exp) ClC1=CC1CI -15.7PredN
ClC(C1I)=C1C11354214.43C4H4ClI1-chloro-3-iodo-2-methylcycloprop-1-eneN106ClC(C1I)=C1CInChI=1S/C4H4ClI/c1-2-3(5)4(2)6/h4H,1H3InChIKey=GFRJWIPMNQIRCW-UHFFFAOYSA-N171.7Ex 171.68(BP est) -10.01(MP est) ----(BP exp) ----(MP exp) ClC(C1I)=C1C -10PredN
ClC1=CC1(C)I11355214.43C4H4ClI1-chloro-3-iodo-3-methylcycloprop-1-eneN106ClC1=CC1(C)IInChI=1S/C4H4ClI/c1-4(6)2-3(4)5/h2H,1H3InChIKey=HUKUOWBHYAVMAC-UHFFFAOYSA-N162.3Ex 162.25(BP est) -7.07(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(C)I -7.1PredN
C(C(I)C#CCl)11356214.43C4H4ClI1-chloro-3-iodobut-1-yneN106C(C(I)C#CCl)InChI=1S/C4H4ClI/c1-4(6)2-3-5/h4H,1H3InChIKey=VYQICZGLOOSMTM-UHFFFAOYSA-N171.5Ex 171.51(BP est) 13.62(MP est) ----(BP exp) ----(MP exp) C(C(I)C#CCl) 13.6PredN
C=C(I)(C=CCl)11357214.43C4H4ClI1-chloro-3-iodobuta-1,3-dieneN106C=C(I)(C=CCl)InChI=1S/C4H4ClI/c1-4(6)2-3-5/h2-3H,1H2InChIKey=WBVKRNHNSYZIBD-UHFFFAOYSA-N168.1Ex 168.09(BP est) -43.33(MP est) ----(BP exp) ----(MP exp) C=C(I)(C=CCl) -43.3PredN
C(C1I)(C(Cl)=C1)11358214.43C4H4ClI1-chloro-3-iodocyclobut-1-eneN106C(C1I)(C(Cl)=C1)InChI=1S/C4H4ClI/c5-3-1-4(6)2-3/h1,4H,2H2InChIKey=HKFXNVCWQTXLNI-UHFFFAOYSA-N175.4Ex 175.42(BP est) -16.94(MP est) ----(BP exp) ----(MP exp) C(C1I)(C(Cl)=C1) -16.9PredN
C(I)(CC#CCl)11359214.43C4H4ClI1-chloro-4-iodobut-1-yneN106C(I)(CC#CCl)InChI=1S/C4H4ClI/c5-3-1-2-4-6/h2,4H2InChIKey=YLKUZIBYJFTRTG-UHFFFAOYSA-N184.1Ex 184.10(BP est) 24.80(MP est) ----(BP exp) ----(MP exp) C(I)(CC#CCl) 24.8PredN
C(CCl)#C(CI)11360214.43C4H4ClI1-chloro-4-iodobut-2-yneN106C(CCl)#C(CI)InChI=1S/C4H4ClI/c5-3-1-2-4-6/h3-4H2InChIKey=ZWUCNWANCGFFTM-UHFFFAOYSA-N207.8Ex 207.78(BP est) 23.69(MP est) ----(BP exp) ----(MP exp) C(CCl)#C(CI) 23.7PredN
C(Cl)=C(C=CI)11361214.43C4H4ClI1-chloro-4-iodobuta-1,3-dieneN106C(Cl)=C(C=CI)InChI=1S/C4H4ClI/c5-3-1-2-4-6/h1-4HInChIKey=BUILIVDRYKAPMW-UHFFFAOYSA-N181.9Ex 181.87(BP est) -33.99(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C=CI) -34PredN
C(C1I)(C=C1Cl)11362214.43C4H4ClI1-chloro-4-iodocyclobut-1-eneN106C(C1I)(C=C1Cl)InChI=1S/C4H4ClI/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=ZUYJALGBGVRSNA-UHFFFAOYSA-N175.4Ex 175.42(BP est) -16.94(MP est) ----(BP exp) ----(MP exp) C(C1I)(C=C1Cl) -16.9PredN
C=C(C(Cl)=CI)11363214.43C4H4ClI2-chloro-1-iodobuta-1,3-dieneN106C=C(C(Cl)=CI)InChI=1S/C4H4ClI/c1-2-4(5)3-6/h2-3H,1H2InChIKey=FIVOYEOCRRLULJ-UHFFFAOYSA-N168.1Ex 168.09(BP est) -43.33(MP est) ----(BP exp) ----(MP exp) C=C(C(Cl)=CI) -43.3PredN
C=C(C(I)=C)Cl11364214.43C4H4ClI2-chloro-3-iodobuta-1,3-dieneN106C=C(C(I)=C)ClInChI=1S/C4H4ClI/c1-3(5)4(2)6/h1-2H2InChIKey=KECLCKUWBYQGTI-UHFFFAOYSA-N153.9Ex 153.92(BP est) -52.78(MP est) ----(BP exp) ----(MP exp) C=C(C(I)=C)Cl -52.8PredN
ClC(I)C1C=C111365214.43C4H4ClI3-(chloroiodomethyl)cycloprop-1-eneN106ClC(I)C1C=C1InChI=1S/C4H4ClI/c5-4(6)3-1-2-3/h1-4HInChIKey=FEDSCTNJYSRCCE-UHFFFAOYSA-N175.9Ex 175.94(BP est) -28.79(MP est) ----(BP exp) ----(MP exp) ClC(I)C1C=C1 -28.8PredN
IC1=CC1CCl11366214.43C4H4ClI3-(chloromethyl)-1-iodocycloprop-1-eneN106IC1=CC1CClInChI=1S/C4H4ClI/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=LSYXSRKLUHEAEU-UHFFFAOYSA-N197.7Ex 197.72(BP est) -8.67(MP est) ----(BP exp) ----(MP exp) IC1=CC1CCl -8.7PredN
IC1(CCl)C=C111367214.43C4H4ClI3-(chloromethyl)-3-iodocycloprop-1-eneN106IC1(CCl)C=C1InChI=1S/C4H4ClI/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=UWNBCXBWVHFULE-UHFFFAOYSA-N188.8Ex 188.79(BP est) -5.58(MP est) ----(BP exp) ----(MP exp) IC1(CCl)C=C1 -5.6PredN
ICC1=CC1Cl11368214.43C4H4ClI3-chloro-1-(iodomethyl)cycloprop-1-eneN106ICC1=CC1ClInChI=1S/C4H4ClI/c5-4-1-3(4)2-6/h1,4H,2H2InChIKey=AXRUEYUEQNAVMQ-UHFFFAOYSA-N186.7Ex 186.66(BP est) -11.90(MP est) ----(BP exp) ----(MP exp) ICC1=CC1Cl -11.9PredN
IC(C1Cl)=C1C11369214.43C4H4ClI3-chloro-1-iodo-2-methylcycloprop-1-eneN106IC(C1Cl)=C1CInChI=1S/C4H4ClI/c1-2-3(5)4(2)6/h3H,1H3InChIKey=SQUMBJICEODOAH-UHFFFAOYSA-N184.9Ex 184.89(BP est) -6.15(MP est) ----(BP exp) ----(MP exp) IC(C1Cl)=C1C -6.2PredN
IC1=CC1(C)Cl11370214.43C4H4ClI3-chloro-1-iodo-3-methylcycloprop-1-eneN106IC1=CC1(C)ClInChI=1S/C4H4ClI/c1-4(5)2-3(4)6/h2H,1H3InChIKey=RUKPBJJGEATGKQ-UHFFFAOYSA-N164.2Ex 164.16(BP est) -6.52(MP est) ----(BP exp) ----(MP exp) IC1=CC1(C)Cl -6.5PredN
C(C(Cl)C#CI)11371214.43C4H4ClI3-chloro-1-iodobut-1-yneN106C(C(Cl)C#CI)InChI=1S/C4H4ClI/c1-4(5)2-3-6/h4H,1H3InChIKey=JUTQASASNCGKRD-UHFFFAOYSA-N184.7Ex 184.72(BP est) 17.48(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C#CI) 17.5PredN
C=C(Cl)(C=CI)11372214.43C4H4ClI3-chloro-1-iodobuta-1,3-dieneN106C=C(Cl)(C=CI)InChI=1S/C4H4ClI/c1-4(5)2-3-6/h2-3H,1H2InChIKey=PNPRJQBVLAAASZ-UHFFFAOYSA-N168.1Ex 168.09(BP est) -43.33(MP est) ----(BP exp) ----(MP exp) C=C(Cl)(C=CI) -43.3PredN
C(C1Cl)(C(I)=C1)11373214.43C4H4ClI3-chloro-1-iodocyclobut-1-eneN106C(C1Cl)(C(I)=C1)InChI=1S/C4H4ClI/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=XIAFSBLEVBWNRG-UHFFFAOYSA-N188.5Ex 188.53(BP est) -13.11(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C(I)=C1) -13.1PredN
ClC1(CI)C=C111374214.43C4H4ClI3-chloro-3-(iodomethyl)cycloprop-1-eneN106ClC1(CI)C=C1InChI=1S/C4H4ClI/c5-4(3-6)1-2-4/h1-2H,3H2InChIKey=HRMDXTIWSBTOLI-UHFFFAOYSA-N166.0Ex 166.00(BP est) -12.24(MP est) ----(BP exp) ----(MP exp) ClC1(CI)C=C1 -12.2PredN
CC1=CC1(I)Cl11375214.43C4H4ClI3-chloro-3-iodo-1-methylcycloprop-1-eneN106CC1=CC1(I)ClInChI=1S/C4H4ClI/c1-3-2-4(3,5)6/h2H,1H3InChIKey=AMNYQYWBNBNZKX-UHFFFAOYSA-N164.2Ex 164.16(BP est) -6.52(MP est) ----(BP exp) ----(MP exp) CC1=CC1(I)Cl -6.5PredN
CC(I)(C#C)Cl11376214.43C4H4ClI3-chloro-3-iodobut-1-yneN106CC(I)(C#C)ClInChI=1S/C4H4ClI/c1-3-4(2,5)6/h1H,2H3InChIKey=KZPVXYLLPXGFGQ-UHFFFAOYSA-N156.9Ex 156.89(BP est) -11.50(MP est) ----(BP exp) ----(MP exp) CC(I)(C#C)Cl -11.5PredN
C(C1(Cl)I)(C=C1)11377214.43C4H4ClI3-chloro-3-iodocyclobut-1-eneN106C(C1(Cl)I)(C=C1)InChI=1S/C4H4ClI/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=GJANORYKWRYDOR-UHFFFAOYSA-N168.0Ex 167.96(BP est) -13.43(MP est) ----(BP exp) ----(MP exp) C(C1(Cl)I)(C=C1) -13.4PredN
C(I)(C(Cl)C#C)11378214.43C4H4ClI3-chloro-4-iodobut-1-yneN106C(I)(C(Cl)C#C)InChI=1S/C4H4ClI/c1-2-4(5)3-6/h1,4H,3H2InChIKey=QJOJNHMQYKOMFC-UHFFFAOYSA-N177.0Ex 176.97(BP est) -14.35(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)C#C) -14.4PredN
C(Cl)(C1I)(C=C1)11379214.43C4H4ClI3-chloro-4-iodocyclobut-1-eneN106C(Cl)(C1I)(C=C1)InChI=1S/C4H4ClI/c5-3-1-2-4(3)6/h1-4HInChIKey=YLZLQAQHKOORDB-UHFFFAOYSA-N184.4Ex 184.35(BP est) -22.71(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1I)(C=C1) -22.7PredN
C(Cl)(CC#CI)11380214.43C4H4ClI4-chloro-1-iodobut-1-yneN106C(Cl)(CC#CI)InChI=1S/C4H4ClI/c5-3-1-2-4-6/h1,3H2InChIKey=NTTLNTLTQPPWIZ-UHFFFAOYSA-N207.8Ex 207.78(BP est) 23.69(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC#CI) 23.7PredN
C(C1Cl)(C=C1I)11381214.43C4H4ClI4-chloro-1-iodocyclobut-1-eneN106C(C1Cl)(C=C1I)InChI=1S/C4H4ClI/c5-3-1-2-4(3)6/h2-3H,1H2InChIKey=YCYOWZONSVMSMP-UHFFFAOYSA-N188.5Ex 188.53(BP est) -13.11(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C=C1I) -13.1PredN
C(Cl)(C(I)C#C)11382214.43C4H4ClI4-chloro-3-iodobut-1-yneN106C(Cl)(C(I)C#C)InChI=1S/C4H4ClI/c1-2-4(6)3-5/h1,4H,3H2InChIKey=YRZFCDBZIYGRHA-UHFFFAOYSA-N188.3Ex 188.26(BP est) -11.05(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)C#C) -11.1PredN
C(Cl)(I)(CC#C)11383214.43C4H4ClI4-chloro-4-iodobut-1-yneN106C(Cl)(I)(CC#C)InChI=1S/C4H4ClI/c1-2-3-4(5)6/h1,4H,3H2InChIKey=VCTWMMTYFFSMDQ-UHFFFAOYSA-N177.0Ex 176.97(BP est) -14.35(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(CC#C) -14.4PredN
NC(Br)(Br)(C=C)11384214.888C3H5Br2N1,1-dibromoprop-2-en-1-amineN116NC(Br)(Br)(C=C)InChI=1S/C3H5Br2N/c1-2-3(4,5)6/h2H,1,6H2InChIKey=BJJFMQYENMXGJK-UHFFFAOYSA-N186.9Ex 186.87(BP est) 24.69(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(C=C) 24.7PredN
NC(Br)(C1)(C1Br)11385214.888C3H5Br2N1,2-dibromocyclopropan-1-amineN116NC(Br)(C1)(C1Br)InChI=1S/C3H5Br2N/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=CXTIBLFZWCXEBR-UHFFFAOYSA-N195.5Ex 195.53(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) NC(Br)(C1)(C1Br) 23.1PredN
NC(Br)(C(Br)=C)11386214.888C3H5Br2N1,2-dibromoprop-2-en-1-amineN116NC(Br)(C(Br)=C)InChI=1S/C3H5Br2N/c1-2(4)3(5)6/h3H,1,6H2InChIKey=XKZLDDFNWBFNFM-UHFFFAOYSA-N189.4Ex 189.39(BP est) 9.74(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Br)=C) 9.7PredN
NC(Br)(C=CBr)11387214.888C3H5Br2N1,3-dibromoprop-2-en-1-amineN116NC(Br)(C=CBr)InChI=1S/C3H5Br2N/c4-2-1-3(5)6/h1-3H,6H2InChIKey=IAQIUWJLNHDRRE-UHFFFAOYSA-N202.6Ex 202.57(BP est) 18.90(MP est) ----(BP exp) ----(MP exp) NC(Br)(C=CBr) 18.9PredN
BrC(Br)C1CN111388214.888C3H5Br2N2-(dibromomethyl)aziridineN116BrC(Br)C1CN1InChI=1S/C3H5Br2N/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=SJQBRTQTBIFRRA-UHFFFAOYSA-N199.1Ex 199.05(BP est) 27.70(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1CN1 27.7PredN
BrC1(Br)C(C)N111389214.888C3H5Br2N2,2-dibromo-3-methylaziridineN116BrC1(Br)C(C)N1InChI=1S/C3H5Br2N/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=IBDYECMHOYMNGK-UHFFFAOYSA-N194.8Ex 194.75(BP est) 28.20(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C(C)N1 28.2PredN
BrC1(Br)NCC111390214.888C3H5Br2N2,2-dibromoazetidineN116BrC1(Br)NCC1InChI=1S/C3H5Br2N/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=SFFNJNOMFYDPIK-UHFFFAOYSA-N202.4Ex 202.37(BP est) 31.72(MP est) ----(BP exp) ----(MP exp) BrC1(Br)NCC1 31.7PredN
NC(C1)(C1(Br)Br)11391214.888C3H5Br2N2,2-dibromocyclopropan-1-amineN116NC(C1)(C1(Br)Br)InChI=1S/C3H5Br2N/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=QRPZFBZXHUJQHQ-UHFFFAOYSA-N195.5Ex 195.53(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(Br)Br) 23.1PredN
BrC1C(Br)(C)N111392214.888C3H5Br2N2,3-dibromo-2-methylaziridineN116BrC1C(Br)(C)N1InChI=1S/C3H5Br2N/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=GHOOVBNZERHZEH-UHFFFAOYSA-N194.8Ex 194.75(BP est) 28.20(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(C)N1 28.2PredN
BrC1NCC1Br11393214.888C3H5Br2N2,3-dibromoazetidineN116BrC1NCC1BrInChI=1S/C3H5Br2N/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=FVJWDEQGFKZZQU-UHFFFAOYSA-N207.1Ex 207.05(BP est) 33.23(MP est) ----(BP exp) ----(MP exp) BrC1NCC1Br 33.2PredN
NC(C1Br)(C1Br)11394214.888C3H5Br2N2,3-dibromocyclopropan-1-amineN116NC(C1Br)(C1Br)InChI=1S/C3H5Br2N/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=YZKZAKXKILBMEW-UHFFFAOYSA-N200.3Ex 200.29(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) NC(C1Br)(C1Br) 23.1PredN
NC(C(Br)=CBr)11395214.888C3H5Br2N2,3-dibromoprop-2-en-1-amineN116NC(C(Br)=CBr)InChI=1S/C3H5Br2N/c4-1-3(5)2-6/h1H,2,6H2InChIKey=MPVYZQSMFBPMSE-UHFFFAOYSA-N209.1Ex 209.05(BP est) 21.32(MP est) ----(BP exp) ----(MP exp) NC(C(Br)=CBr) 21.3PredN
BrC1CC(Br)N111396214.888C3H5Br2N2,4-dibromoazetidineN116BrC1CC(Br)N1InChI=1S/C3H5Br2N/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=VSPOYOXEWKHUCR-UHFFFAOYSA-N207.1Ex 207.05(BP est) 33.23(MP est) ----(BP exp) ----(MP exp) BrC1CC(Br)N1 33.2PredN
BrC1(CBr)CN111397214.888C3H5Br2N2-bromo-2-(bromomethyl)aziridineN116BrC1(CBr)CN1InChI=1S/C3H5Br2N/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=QKXZBKLHGSRHMA-UHFFFAOYSA-N200.6Ex 200.55(BP est) 31.80(MP est) ----(BP exp) ----(MP exp) BrC1(CBr)CN1 31.8PredN
BrC1C(CBr)N111398214.888C3H5Br2N2-bromo-3-(bromomethyl)aziridineN116BrC1C(CBr)N1InChI=1S/C3H5Br2N/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=AZEZVDMFKCQOTH-UHFFFAOYSA-N205.3Ex 205.25(BP est) 26.82(MP est) ----(BP exp) ----(MP exp) BrC1C(CBr)N1 26.8PredN
BrC1(Br)CNC111399214.888C3H5Br2N3,3-dibromoazetidineN116BrC1(Br)CNC1InChI=1S/C3H5Br2N/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=IJBIQAMHSRJBEU-UHFFFAOYSA-N202.4Ex 202.37(BP est) 31.72(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CNC1 31.7PredN
NC(C=C(Br)Br)11400214.888C3H5Br2N3,3-dibromoprop-2-en-1-amineN116NC(C=C(Br)Br)InChI=1S/C3H5Br2N/c4-3(5)1-2-6/h1H,2,6H2InChIKey=BGKDOYUUEFTCLP-UHFFFAOYSA-N209.1Ex 209.05(BP est) 21.32(MP est) ----(BP exp) ----(MP exp) NC(C=C(Br)Br) 21.3PredN
NC(Cl)(I)(C#C)11402215.418C3H3ClIN1-chloro-1-iodoprop-2-yn-1-amineN96NC(Cl)(I)(C#C)InChI=1S/C3H3ClIN/c1-2-3(4,5)6/h1H,6H2InChIKey=NWURWGQIPNITPD-UHFFFAOYSA-N191.6Ex 191.63(BP est) 22.50(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)(C#C) 22.5PredN
NC(Cl)(C#CI)11403215.418C3H3ClIN1-chloro-3-iodoprop-2-yn-1-amineN96NC(Cl)(C#CI)InChI=1S/C3H3ClIN/c4-3(6)1-2-5/h3H,6H2InChIKey=YOCPGABGWAGABQ-UHFFFAOYSA-N217.5Ex 217.50(BP est) 38.19(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C#CI) 38.2PredN
ClC(I)C1=CN111404215.418C3H3ClIN2-(chloroiodomethyl)-1H-azirineN96ClC(I)C1=CN1InChI=1S/C3H3ClIN/c4-3(5)2-1-6-2/h1,3,6HInChIKey=ZQILWKSOVKHQKQ-UHFFFAOYSA-N212.6Ex 212.55(BP est) 28.26(MP est) ----(BP exp) ----(MP exp) ClC(I)C1=CN1 28.3PredN
IC(N1)=C1CCl11405215.418C3H3ClIN2-(chloromethyl)-3-iodo-1H-azirineN96IC(N1)=C1CClInChI=1S/C3H3ClIN/c4-1-2-3(5)6-2/h6H,1H2InChIKey=FWVYEPPILFIYQY-UHFFFAOYSA-N232.6Ex 232.59(BP est) 45.23(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1CCl 45.2PredN
ClC(N1)=C1CI11406215.418C3H3ClIN2-chloro-3-(iodomethyl)-1H-azirineN96ClC(N1)=C1CIInChI=1S/C3H3ClIN/c4-3-2(1-5)6-3/h6H,1H2InChIKey=PMZHTOCQCXBLKR-UHFFFAOYSA-N210.3Ex 210.30(BP est) 29.70(MP est) ----(BP exp) ----(MP exp) ClC(N1)=C1CI 29.7PredN
NC(I)(C#CCl)11407215.418C3H3ClIN3-chloro-1-iodoprop-2-yn-1-amineN96NC(I)(C#CCl)InChI=1S/C3H3ClIN/c4-2-1-3(5)6/h3H,6H2InChIKey=PWNJDKDPKYNSST-UHFFFAOYSA-N205.2Ex 205.23(BP est) 32.82(MP est) ----(BP exp) ----(MP exp) NC(I)(C#CCl) 32.8PredN
BrC(C1F)=C1Br11420215.847C3HBr2F1,2-dibromo-3-fluorocycloprop-1-eneN76BrC(C1F)=C1BrInChI=1S/C3HBr2F/c4-1-2(5)3(1)6/h3HInChIKey=JAQPQOUXWAGJQW-UHFFFAOYSA-N158.4Ex 158.37(BP est) -3.43(MP est) ----(BP exp) ----(MP exp) BrC(C1F)=C1Br -3.4PredN
BrC(C1Br)=C1F11421215.847C3HBr2F1,3-dibromo-2-fluorocycloprop-1-eneN76BrC(C1Br)=C1FInChI=1S/C3HBr2F/c4-1-2(5)3(1)6/h1HInChIKey=MRMRNQMNFRCDCA-UHFFFAOYSA-N158.4Ex 158.37(BP est) -3.43(MP est) ----(BP exp) ----(MP exp) BrC(C1Br)=C1F -3.4PredN
BrC1=CC1(F)Br11422215.847C3HBr2F1,3-dibromo-3-fluorocycloprop-1-eneN76BrC1=CC1(F)BrInChI=1S/C3HBr2F/c4-2-1-3(2,5)6/h1HInChIKey=ZMXVVAATXDYPSE-UHFFFAOYSA-N148.7Ex 148.69(BP est) -0.56(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(F)Br -0.6PredN
C(Br)(F)(C#CBr)11423215.847C3HBr2F1,3-dibromo-3-fluoroprop-1-yneN76C(Br)(F)(C#CBr)InChI=1S/C3HBr2F/c4-2-1-3(5)6/h3HInChIKey=RDULVAPQFREEOR-UHFFFAOYSA-N158.2Ex 158.19(BP est) 20.20(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C#CBr) 20.2PredN
FC1=CC1(Br)Br11424215.847C3HBr2F3,3-dibromo-1-fluorocycloprop-1-eneN76FC1=CC1(Br)BrInChI=1S/C3HBr2F/c4-3(5)1-2(3)6/h1HInChIKey=MAHIAYVONCBBDI-UHFFFAOYSA-N148.7Ex 148.69(BP est) -0.56(MP est) ----(BP exp) ----(MP exp) FC1=CC1(Br)Br -0.6PredN
C(Br)(Br)(C#CF)11425215.847C3HBr2F3,3-dibromo-1-fluoroprop-1-yneN76C(Br)(Br)(C#CF)InChI=1S/C3HBr2F/c4-3(5)1-2-6/h3HInChIKey=YNYGVHMLOKSZJG-UHFFFAOYSA-N158.2Ex 158.19(BP est) 20.20(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C#CF) 20.2PredN
C(Br)(Br)(F)(C#C)11426215.847C3HBr2F3,3-dibromo-3-fluoroprop-1-yneN76C(Br)(Br)(F)(C#C)InChI=1S/C3HBr2F/c1-2-3(4,5)6/h1HInChIKey=BBEZJXVXMHVSIV-UHFFFAOYSA-N141.2Ex 141.20(BP est) -5.61(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(F)(C#C) -5.6PredN
C(Br)(Br)OC=C11427215.872C3H4Br2O(dibromomethoxy)etheneN106C(Br)(Br)OC=CInChI=1S/C3H4Br2O/c1-2-6-3(4)5/h2-3H,1H2InChIKey=JRPLSODQEOXSPC-UHFFFAOYSA-N161.3Ex 161.27(BP est) -22.01(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)OC=C -22PredN
COC=C(Br)(Br)11428215.872C3H4Br2O1,1-dibromo-2-methoxyetheneN106COC=C(Br)(Br)InChI=1S/C3H4Br2O/c1-6-2-3(4)5/h2H,1H3InChIKey=XGFSPNWZHCZJOP-UHFFFAOYSA-N176.4Ex 176.43(BP est) -18.72(MP est) ----(BP exp) ----(MP exp) COC=C(Br)(Br) -18.7PredY(Moore 1977)
OC(C=C)(Br)(Br)11429215.872C3H4Br2O1,1-dibromoprop-2-en-1-olN106OC(C=C)(Br)(Br)InChI=1S/C3H4Br2O/c1-2-3(4,5)6/h2,6H,1H2InChIKey=SJMHWXIKYKWMSL-UHFFFAOYSA-N193.0Ex 193.04(BP est) 15.27(MP est) ----(BP exp) ----(MP exp) OC(C=C)(Br)(Br) 15.3PredN
CC(=O)C(Br)(Br)11430215.872C3H4Br2O1,1-dibromopropan-2-oneN106CC(=O)C(Br)(Br)InChI=1S/C3H4Br2O/c1-2(6)3(4)5/h3H,1H3InChIKey=ZABBFAHZPHMIJC-UHFFFAOYSA-N182.2Ex 182.19(BP est) -1.17(MP est) ----(BP exp) ----(MP exp) CC(=O)C(Br)(Br) -1.2PredY(Kladi et al. 2004)
COC(Br)=C(Br)11431215.872C3H4Br2O1,2-dibromo-1-methoxyetheneN106COC(Br)=C(Br)InChI=1S/C3H4Br2O/c1-6-3(5)2-4/h2H,1H3InChIKey=FDBXKYYXFHWVLO-UHFFFAOYSA-N176.4Ex 176.43(BP est) -18.72(MP est) ----(BP exp) ----(MP exp) COC(Br)=C(Br) -18.7PredN
OC(C1)(Br)(C1Br)11432215.872C3H4Br2O1,2-dibromocyclopropan-1-olN106OC(C1)(Br)(C1Br)InChI=1S/C3H4Br2O/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=FXCBEHLDIKTRFM-UHFFFAOYSA-N201.6Ex 201.58(BP est) 25.51(MP est) ----(BP exp) ----(MP exp) OC(C1)(Br)(C1Br) 25.5PredN
OC(C(Br)=C)(Br)11433215.872C3H4Br2O1,2-dibromoprop-2-en-1-olN106OC(C(Br)=C)(Br)InChI=1S/C3H4Br2O/c1-2(4)3(5)6/h3,6H,1H2InChIKey=GDEVYTRNFLRUJE-UHFFFAOYSA-N204.8Ex 204.82(BP est) 3.02(MP est) ----(BP exp) ----(MP exp) OC(C(Br)=C)(Br) 3PredN
C(Br)C(=O)C(Br)11434215.872C3H4Br2O1,3-dibromopropan-2-oneN106C(Br)C(=O)C(Br)InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2InChIKey=LQQKDSXCDXHLLF-UHFFFAOYSA-N194.5Ex 194.51(BP est) 9.93(MP est) ----(BP exp) 26.00(MP exp) C(Br)C(=O)C(Br) 26ExptY(Kladi et al. 2004)
C(Br)OC(Br)=C11435215.872C3H4Br2O1-bromo-1-(bromomethoxy)etheneN106C(Br)OC(Br)=CInChI=1S/C3H4Br2O/c1-3(5)6-2-4/h1-2H2InChIKey=XIMBNVBLKIHLSH-UHFFFAOYSA-N168.3Ex 168.34(BP est) -19.42(MP est) ----(BP exp) ----(MP exp) C(Br)OC(Br)=C -19.4PredN
C(Br)OC=C(Br)11436215.872C3H4Br2O1-bromo-2-(bromomethoxy)etheneN106C(Br)OC=C(Br)InChI=1S/C3H4Br2O/c4-1-2-6-3-5/h1-2H,3H2InChIKey=GRWYZGOTTZYRBV-UHFFFAOYSA-N182.1Ex 182.11(BP est) -10.08(MP est) ----(BP exp) ----(MP exp) C(Br)OC=C(Br) -10.1PredN
BrC(Br)C1CO111437215.872C3H4Br2O2-(dibromomethyl)oxiraneN106BrC(Br)C1CO1InChI=1S/C3H4Br2O/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=HHRCGNUPQWUPFY-UHFFFAOYSA-N171.5Ex 171.45(BP est) -7.02(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1CO1 -7PredN
BrC1(Br)C(C)O111438215.872C3H4Br2O2,2-dibromo-3-methyloxiraneN106BrC1(Br)C(C)O1InChI=1S/C3H4Br2O/c1-2-3(4,5)6-2/h2H,1H3InChIKey=ZKWAQTIGYMGCGU-UHFFFAOYSA-N166.9Ex 166.88(BP est) 8.98(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C(C)O1 9PredN
OC(C1)(C1(Br)Br)11439215.872C3H4Br2O2,2-dibromocyclopropan-1-olN106OC(C1)(C1(Br)Br)InChI=1S/C3H4Br2O/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=NZTBZLXUGFOOQH-UHFFFAOYSA-N210.8Ex 210.75(BP est) 29.07(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1(Br)Br) 29.1PredN
BrC1(Br)OCC111440215.872C3H4Br2O2,2-dibromooxetaneN106BrC1(Br)OCC1InChI=1S/C3H4Br2O/c4-3(5)1-2-6-3/h1-2H2InChIKey=XMQVYYPBDBDWLC-UHFFFAOYSA-N175.0Ex 174.96(BP est) 11.70(MP est) ----(BP exp) ----(MP exp) BrC1(Br)OCC1 11.7PredN
C(=O)C(Br)(Br)(C)11441215.872C3H4Br2O2,2-dibromopropanalN106C(=O)C(Br)(Br)(C)InChI=1S/C3H4Br2O/c1-3(4,5)2-6/h2H,1H3InChIKey=DQARFZUCBYKFNL-UHFFFAOYSA-N186.0Ex 186.01(BP est) 4.69(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(Br)(C) 4.7PredN
BrC1C(Br)(C)O111442215.872C3H4Br2O2,3-dibromo-2-methyloxiraneN106BrC1C(Br)(C)O1InChI=1S/C3H4Br2O/c1-3(5)2(4)6-3/h2H,1H3InChIKey=RMAICZHMZLQXQI-UHFFFAOYSA-N166.9Ex 166.88(BP est) 8.98(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(C)O1 9PredN
BrC1OCC1Br11443215.872C3H4Br2O2,3-dibromooxetaneN106BrC1OCC1BrInChI=1S/C3H4Br2O/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=YHOHUAPVAAHWCW-UHFFFAOYSA-N179.9Ex 179.94(BP est) -0.92(MP est) ----(BP exp) ----(MP exp) BrC1OCC1Br -0.9PredN
C(=O)C(Br)(CBr)11444215.872C3H4Br2O2,3-dibromopropanalN106C(=O)C(Br)(CBr)InChI=1S/C3H4Br2O/c4-1-3(5)2-6/h2-3H,1H2InChIKey=ZMDDOWQHSDJXDW-UHFFFAOYSA-N194.1Ex 194.08(BP est) -1.66(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(CBr) -1.7PredN
BrC1CC(Br)O111445215.872C3H4Br2O2,4-dibromooxetaneN106BrC1CC(Br)O1InChI=1S/C3H4Br2O/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=IKTDAIPETNTXBY-UHFFFAOYSA-N179.9Ex 179.94(BP est) -0.92(MP est) ----(BP exp) ----(MP exp) BrC1CC(Br)O1 -0.9PredN
BrC1(CBr)CO111446215.872C3H4Br2O2-bromo-2-(bromomethyl)oxiraneN106BrC1(CBr)CO1InChI=1S/C3H4Br2O/c4-1-3(5)2-6-3/h1-2H2InChIKey=UQKQIGITHCPKHV-UHFFFAOYSA-N173.0Ex 173.03(BP est) 12.90(MP est) ----(BP exp) ----(MP exp) BrC1(CBr)CO1 12.9PredN
BrC1C(CBr)O111447215.872C3H4Br2O2-bromo-3-(bromomethyl)oxiraneN106BrC1C(CBr)O1InChI=1S/C3H4Br2O/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=HZMSHQYKFQATQK-UHFFFAOYSA-N178.0Ex 178.03(BP est) 0.28(MP est) ----(BP exp) ----(MP exp) BrC1C(CBr)O1 0.3PredN
BrC1(Br)COC111448215.872C3H4Br2O3,3-dibromooxetaneN106BrC1(Br)COC1InChI=1S/C3H4Br2O/c4-3(5)1-6-2-3/h1-2H2InChIKey=GQDIJTPDPIBQMN-UHFFFAOYSA-N175.0Ex 174.96(BP est) 11.70(MP est) ----(BP exp) ----(MP exp) BrC1(Br)COC1 11.7PredN
C(=O)C(C(Br)Br)11449215.872C3H4Br2O3,3-dibromopropanalN106C(=O)C(C(Br)Br)InChI=1S/C3H4Br2O/c4-3(5)1-2-6/h2-3H,1H2InChIKey=JMUDKJVVXCMBPV-UHFFFAOYSA-N194.1Ex 194.08(BP est) -1.66(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(Br)Br) -1.7PredN
BrC(S1)=C1Br11450215.89C2Br2S2,3-dibromothiireneN55BrC(S1)=C1BrInChI=1S/C2Br2S/c3-1-2(4)5-1InChIKey=YDAFRWDDWWUZHY-UHFFFAOYSA-N199.0Ex 198.99(BP est) 22.94(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1Br 22.9PredN
O=P(C#CI)O11451215.914C2H2IO2P(iodoethynyl)phosphinic acidN86O=P(C#CI)OInChI=1S/C2H2IO2P/c3-1-2-6(4)5/h6H,(H,4,5)InChIKey=OGUCTEWKBWOERT-UHFFFAOYSA-N282.4Ex 282.40(BP est) 63.11(MP est) ----(BP exp) ----(MP exp) O=P(C#CI)O 63.1PredN
CC(C(Br)Br)C11452215.916C4H8Br21,1-dibromo-2-methylpropaneN146CC(C(Br)Br)CInChI=1S/C4H8Br2/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=FGOANQWFWXSPKL-UHFFFAOYSA-N147.0Ex 148.88(BP est) -37.73(MP est) ----(BP exp) ----(MP exp) CC(C(Br)Br)C -37.7PredN
C(CCC(Br)Br)11453215.916C4H8Br21,1-dibromobutaneN146C(CCC(Br)Br)InChI=1S/C4H8Br2/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=ZRSKKRWCHNPOPE-UHFFFAOYSA-N158.0Ex 162.04(BP est) -26.38(MP est) ----(BP exp) ----(MP exp) C(CCC(Br)Br) -26.4PredN
BrC(C)(CBr)C11454215.916C4H8Br21,2-dibromo-2-methylpropaneN146BrC(C)(CBr)CInChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=SDTXSEXYPROZSZ-UHFFFAOYSA-N149.0Ex 153.42(BP est) -20.19(MP est) 150.00(BP exp) 10.50(MP exp) BrC(C)(CBr)C 10.5ExptN
C(CC(Br)CBr)11455215.916C4H8Br21,2-dibromobutaneN146C(CC(Br)CBr)InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=CZWSZZHGSNZRMW-UHFFFAOYSA-N166.3Ex 162.04(BP est) -26.38(MP est) 166.30(BP exp) -65.40(MP exp) C(CC(Br)CBr) -65.4ExptN
C(C)(CBr)(CBr)11456215.916C4H8Br21,3-dibromo-2-methylpropaneN146C(C)(CBr)(CBr)InChI=1S/C4H8Br2/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=SMGXHVWYXQYMNN-UHFFFAOYSA-N175.0Ex 162.04(BP est) -26.38(MP est) ----(BP exp) ----(MP exp) C(C)(CBr)(CBr) -26.4PredN
C(C(Br)CCBr)11457215.916C4H8Br21,3-dibromobutaneN146C(C(Br)CCBr)InChI=1S/C4H8Br2/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=XZNGUVQDFJHPLU-UHFFFAOYSA-N175.0Ex 162.04(BP est) -26.38(MP est) 174.00(BP exp) ----(MP exp) C(C(Br)CCBr) -26.4PredN
C(Br)(CCCBr)11458215.916C4H8Br21,4-dibromobutaneN146C(Br)(CCCBr)InChI=1S/C4H8Br2/c5-3-1-2-4-6/h1-4H2InChIKey=ULTHEAFYOOPTTB-UHFFFAOYSA-N197.0Ex 174.88(BP est) -15.14(MP est) 197.00(BP exp) -16.50(MP exp) C(Br)(CCCBr) -16.5ExptN
CCC(Br)(C)Br11459215.916C4H8Br22,2-dibromobutaneN146CCC(Br)(C)BrInChI=1S/C4H8Br2/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=XWDSASBQVXXTNE-UHFFFAOYSA-N144.8Ex 153.42(BP est) -20.19(MP est) ----(BP exp) ----(MP exp) CCC(Br)(C)Br -20.2PredN
C(C(Br)C(Br)C)11460215.916C4H8Br22,3-dibromobutaneN146C(C(Br)C(Br)C)InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=BXXWFOGWXLJPPA-UHFFFAOYSA-N160.8Ex 148.88(BP est) -37.73(MP est) 161.00(BP exp) -24.00(MP exp) C(C(Br)C(Br)C) -24ExptN
PC(C#C)(F)I11461215.934C3H3FIP(1-fluoro-1-iodoprop-2-yn-1-yl)phosphaneN96PC(C#C)(F)IInChI=1S/C3H3FIP/c1-2-3(4,5)6/h1H,6H2InChIKey=HDZHOFGYETXRMX-UHFFFAOYSA-N157.8Ex 157.81(BP est) -15.85(MP est) ----(BP exp) ----(MP exp) PC(C#C)(F)I -15.9PredN
PC(F)C#CI11462215.934C3H3FIP(1-fluoro-3-iodoprop-2-yn-1-yl)phosphaneN96PC(F)C#CIInChI=1S/C3H3FIP/c4-3(6)1-2-5/h3H,6H2InChIKey=SWNGJAKSGVPKLH-UHFFFAOYSA-N174.3Ex 174.28(BP est) 9.81(MP est) ----(BP exp) ----(MP exp) PC(F)C#CI 9.8PredN
PC(I)C#CF11463215.934C3H3FIP(3-fluoro-1-iodoprop-2-yn-1-yl)phosphaneN96PC(I)C#CFInChI=1S/C3H3FIP/c4-2-1-3(5)6/h3H,6H2InChIKey=FODQJCHTTMIQCL-UHFFFAOYSA-N174.3Ex 174.28(BP est) 9.81(MP est) ----(BP exp) ----(MP exp) PC(I)C#CF 9.8PredN
ICPC#CF11464215.934C3H3FIP(fluoroethynyl)(iodomethyl)phosphaneN96ICPC#CFInChI=1S/C3H3FIP/c4-1-2-6-3-5/h6H,3H2InChIKey=WKOHSZSWTZSCOT-UHFFFAOYSA-N168.9Ex 168.85(BP est) 7.55(MP est) ----(BP exp) ----(MP exp) ICPC#CF 7.6PredN
FCPC#CI11465215.934C3H3FIP(fluoromethyl)(iodoethynyl)phosphaneN96FCPC#CIInChI=1S/C3H3FIP/c4-3-6-2-1-5/h6H,3H2InChIKey=BGJXGMCHQOOLLI-UHFFFAOYSA-N168.9Ex 168.85(BP est) 7.55(MP est) ----(BP exp) ----(MP exp) FCPC#CI 7.6PredN
FC1(I)C=CP111466215.934C3H3FIP2-fluoro-2-iodo-1,2-dihydrophospheteN96FC1(I)C=CP1InChI=1S/C3H3FIP/c4-3(5)1-2-6-3/h1-2,6HInChIKey=OAKAZLSXTGEMLH-UHFFFAOYSA-N148.2Ex 148.22(BP est) -30.23(MP est) ----(BP exp) ----(MP exp) FC1(I)C=CP1 -30.2PredN
FC1C(I)=CP111467215.934C3H3FIP2-fluoro-3-iodo-1,2-dihydrophospheteN96FC1C(I)=CP1InChI=1S/C3H3FIP/c4-3-2(5)1-6-3/h1,3,6HInChIKey=LRNFVITUJFVMTR-UHFFFAOYSA-N157.9Ex 157.91(BP est) -33.09(MP est) ----(BP exp) ----(MP exp) FC1C(I)=CP1 -33.1PredN
FC1C=C(I)P111468215.934C3H3FIP2-fluoro-4-iodo-1,2-dihydrophospheteN96FC1C=C(I)P1InChI=1S/C3H3FIP/c4-2-1-3(5)6-2/h1-2,6HInChIKey=QFHWCCCZOXAKPK-UHFFFAOYSA-N157.9Ex 157.91(BP est) -33.09(MP est) ----(BP exp) ----(MP exp) FC1C=C(I)P1 -33.1PredN
IC1C(F)=CP111469215.934C3H3FIP3-fluoro-2-iodo-1,2-dihydrophospheteN96IC1C(F)=CP1InChI=1S/C3H3FIP/c4-2-1-6-3(2)5/h1,3,6HInChIKey=WICODERISCTNJW-UHFFFAOYSA-N157.9Ex 157.91(BP est) -33.09(MP est) ----(BP exp) ----(MP exp) IC1C(F)=CP1 -33.1PredN
IC1=C(CP1)F11470215.934C3H3FIP3-fluoro-4-iodo-1,2-dihydrophospheteN96IC1=C(CP1)FInChI=1S/C3H3FIP/c4-2-1-6-3(2)5/h6H,1H2InChIKey=GHQITJLHDNJTNK-UHFFFAOYSA-N162.3Ex 162.33(BP est) -23.42(MP est) ----(BP exp) ----(MP exp) IC1=C(CP1)F -23.4PredN
IC1C=C(F)P111471215.934C3H3FIP4-fluoro-2-iodo-1,2-dihydrophospheteN96IC1C=C(F)P1InChI=1S/C3H3FIP/c4-2-1-3(5)6-2/h1,3,6HInChIKey=OGPDFNFQGBWFRD-UHFFFAOYSA-N157.9Ex 157.91(BP est) -33.09(MP est) ----(BP exp) ----(MP exp) IC1C=C(F)P1 -33.1PredN
FC1=C(CP1)I11472215.934C3H3FIP4-fluoro-3-iodo-1,2-dihydrophospheteN96FC1=C(CP1)IInChI=1S/C3H3FIP/c4-3-2(5)1-6-3/h6H,1H2InChIKey=HEKWPPGCRHMDLW-UHFFFAOYSA-N162.3Ex 162.33(BP est) -23.42(MP est) ----(BP exp) ----(MP exp) FC1=C(CP1)I -23.4PredN
FC(PC#C)I11473215.934C3H3FIPethynyl(fluoroiodomethyl)phosphaneN96FC(PC#C)IInChI=1S/C3H3FIP/c1-2-6-3(4)5/h1,3,6HInChIKey=QCEINSOVKINTGV-UHFFFAOYSA-N147.7Ex 147.65(BP est) -35.71(MP est) ----(BP exp) ----(MP exp) FC(PC#C)I -35.7PredN
O=PC(I)CC11474215.958C3H6IOP(1-iodopropyl)(oxo)phosphaneN126O=PC(I)CCInChI=1S/C3H6IOP/c1-2-3(4)6-5/h3H,2H2,1H3InChIKey=NXPZOJNUGHSBSB-UHFFFAOYSA-N198.2Ex 198.18(BP est) -19.05(MP est) ----(BP exp) ----(MP exp) O=PC(I)CC -19.1PredN
IC(POC)=C11475215.958C3H6IOP(1-iodovinyl)(methoxy)phosphaneN126IC(POC)=CInChI=1S/C3H6IOP/c1-3(4)6-5-2/h6H,1H2,2H3InChIKey=ODNTULMTSKIYTI-UHFFFAOYSA-N166.1Ex 166.06(BP est) -43.36(MP est) ----(BP exp) ----(MP exp) IC(POC)=C -43.4PredN
O=P(C)C(I)=C11476215.958C3H6IOP(1-iodovinyl)(methyl)phosphine oxideN126O=P(C)C(I)=CInChI=1S/C3H6IOP/c1-3(4)6(2)5/h6H,1H2,2H3InChIKey=DVPBGTRQYCRWQO-UHFFFAOYSA-N201.4Ex 201.42(BP est) -26.65(MP est) ----(BP exp) ----(MP exp) O=P(C)C(I)=C -26.7PredN
O=PCC(I)C11477215.958C3H6IOP(2-iodopropyl)(oxo)phosphaneN126O=PCC(I)CInChI=1S/C3H6IOP/c1-3(4)2-6-5/h3H,2H2,1H3InChIKey=KNYFCXWVNKEEGM-UHFFFAOYSA-N198.2Ex 198.18(BP est) -19.05(MP est) ----(BP exp) ----(MP exp) O=PCC(I)C -19.1PredN
IC=CPOC11478215.958C3H6IOP(2-iodovinyl)(methoxy)phosphaneN126IC=CPOCInChI=1S/C3H6IOP/c1-5-6-3-2-4/h2-3,6H,1H3InChIKey=HUSGPGKRKUWPHY-UHFFFAOYSA-N179.9Ex 179.89(BP est) -34.00(MP est) ----(BP exp) ----(MP exp) IC=CPOC -34PredN
O=P(C)C=CI11479215.958C3H6IOP(2-iodovinyl)(methyl)phosphine oxideN126O=P(C)C=CIInChI=1S/C3H6IOP/c1-6(5)3-2-4/h2-3,6H,1H3InChIKey=XZVFVXXOZMUDES-UHFFFAOYSA-N214.2Ex 214.24(BP est) -17.59(MP est) ----(BP exp) ----(MP exp) O=P(C)C=CI -17.6PredN
O=PCCCI11480215.958C3H6IOP(3-iodopropyl)(oxo)phosphaneN126O=PCCCIInChI=1S/C3H6IOP/c4-2-1-3-6-5/h1-3H2InChIKey=KODINNIQCGSJOZ-UHFFFAOYSA-N210.1Ex 210.07(BP est) -8.08(MP est) ----(BP exp) ----(MP exp) O=PCCCI -8.1PredN
O=P(CI)C=C11481215.958C3H6IOP(iodomethyl)(vinyl)phosphine oxideN126O=P(CI)C=CInChI=1S/C3H6IOP/c1-2-6(5)3-4/h2,6H,1,3H2InChIKey=KGANOEPOVWPUOV-UHFFFAOYSA-N206.8Ex 206.80(BP est) -18.10(MP est) ----(BP exp) ----(MP exp) O=P(CI)C=C -18.1PredN
O=P1(CI)CC111482215.958C3H6IOP1-(iodomethyl)phosphirane 1-oxideN126O=P1(CI)CC1InChI=1S/C3H6IOP/c4-3-6(5)1-2-6/h1-3H2InChIKey=JDXXDXYAZXYIAU-UHFFFAOYSA-N213.6Ex 213.62(BP est) -10.57(MP est) ----(BP exp) ----(MP exp) O=P1(CI)CC1 -10.6PredN
IC1CP1OC11483215.958C3H6IOP2-iodo-1-methoxyphosphiraneN126IC1CP1OCInChI=1S/C3H6IOP/c1-5-6-2-3(6)4/h3H,2H2,1H3InChIKey=WJZOCBMYRSMDOL-UHFFFAOYSA-N175.9Ex 175.94(BP est) -22.57(MP est) ----(BP exp) ----(MP exp) IC1CP1OC -22.6PredN
O=P1(C)C(I)C111484215.958C3H6IOP2-iodo-1-methylphosphirane 1-oxideN126O=P1(C)C(I)C1InChI=1S/C3H6IOP/c1-6(5)2-3(6)4/h3H,2H2,1H3InChIKey=PCCNIHNDBODJNG-UHFFFAOYSA-N208.0Ex 207.99(BP est) -14.33(MP est) ----(BP exp) ----(MP exp) O=P1(C)C(I)C1 -14.3PredN
O=P1C(I)CC111486215.958C3H6IOP2-iodophosphetane 1-oxideN126O=P1C(I)CC1InChI=1S/C3H6IOP/c4-3-1-2-6(3)5/h3,6H,1-2H2InChIKey=JDWSKDXULOTXBM-UHFFFAOYSA-N211.6Ex 211.57(BP est) -6.86(MP est) ----(BP exp) ----(MP exp) O=P1C(I)CC1 -6.9PredN
O=P1CC(I)C111488215.958C3H6IOP3-iodophosphetane 1-oxideN126O=P1CC(I)C1InChI=1S/C3H6IOP/c4-3-1-6(5)2-3/h3,6H,1-2H2InChIKey=TYYBWAHORPYTGT-UHFFFAOYSA-N211.6Ex 211.57(BP est) -6.86(MP est) ----(BP exp) ----(MP exp) O=P1CC(I)C1 -6.9PredN
CP(C)C(I)C11495216.002C4H10IP(1-iodoethyl)dimethylphosphaneN166CP(C)C(I)CInChI=1S/C4H10IP/c1-4(5)6(2)3/h4H,1-3H3InChIKey=PQGOGSGNKCXXGD-UHFFFAOYSA-N160.6Ex 160.60(BP est) -50.76(MP est) ----(BP exp) ----(MP exp) CP(C)C(I)C -50.8PredN
CPC(CI)C11496216.002C4H10IP(1-iodopropan-2-yl)(methyl)phosphaneN166CPC(CI)CInChI=1S/C4H10IP/c1-4(3-5)6-2/h4,6H,3H2,1-2H3InChIKey=VWCUUTQLIZPCAY-UHFFFAOYSA-N159.7Ex 159.73(BP est) -50.33(MP est) ----(BP exp) ----(MP exp) CPC(CI)C -50.3PredN
CPC(CC)I11497216.002C4H10IP(1-iodopropyl)(methyl)phosphaneN166CPC(CC)IInChI=1S/C4H10IP/c1-3-4(5)6-2/h4,6H,3H2,1-2H3InChIKey=UYDYMHNFFBBYBF-UHFFFAOYSA-N159.7Ex 159.73(BP est) -50.33(MP est) ----(BP exp) ----(MP exp) CPC(CC)I -50.3PredN
CP(C)CCI11498216.002C4H10IP(2-iodoethyl)dimethylphosphaneN166CP(C)CCIInChI=1S/C4H10IP/c1-6(2)4-3-5/h3-4H2,1-2H3InChIKey=RMEOUBXBEAAEKP-UHFFFAOYSA-N173.5Ex 173.47(BP est) -39.50(MP est) ----(BP exp) ----(MP exp) CP(C)CCI -39.5PredN
CPC(C)(C)I11499216.002C4H10IP(2-iodopropan-2-yl)(methyl)phosphaneN166CPC(C)(C)IInChI=1S/C4H10IP/c1-4(2,5)6-3/h6H,1-3H3InChIKey=ICSAOHJQZHETMQ-UHFFFAOYSA-N151.1Ex 151.07(BP est) -44.15(MP est) ----(BP exp) ----(MP exp) CPC(C)(C)I -44.2PredN
CPCC(C)I11500216.002C4H10IP(2-iodopropyl)(methyl)phosphaneN166CPCC(C)IInChI=1S/C4H10IP/c1-4(5)3-6-2/h4,6H,3H2,1-2H3InChIKey=IDQAAIUUVWHDSX-UHFFFAOYSA-N159.7Ex 159.73(BP est) -50.33(MP est) ----(BP exp) ----(MP exp) CPCC(C)I -50.3PredN
CPCCCI11501216.002C4H10IP(3-iodopropyl)(methyl)phosphaneN166CPCCCIInChI=1S/C4H10IP/c1-6-4-2-3-5/h6H,2-4H2,1H3InChIKey=KPFUGUMQNAOQDN-UHFFFAOYSA-N172.6Ex 172.62(BP est) -39.06(MP est) ----(BP exp) ----(MP exp) CPCCCI -39.1PredN
ICPC(C)C11502216.002C4H10IP(iodomethyl)(isopropyl)phosphaneN166ICPC(C)CInChI=1S/C4H10IP/c1-4(2)6-3-5/h4,6H,3H2,1-2H3InChIKey=QDURVVCBEPIHNB-UHFFFAOYSA-N159.7Ex 159.73(BP est) -50.33(MP est) ----(BP exp) ----(MP exp) ICPC(C)C -50.3PredN
ICPCCC11503216.002C4H10IP(iodomethyl)(propyl)phosphaneN166ICPCCCInChI=1S/C4H10IP/c1-2-3-6-4-5/h6H,2-4H2,1H3InChIKey=IAKAHBDUTODPEF-UHFFFAOYSA-N172.6Ex 172.62(BP est) -39.06(MP est) ----(BP exp) ----(MP exp) ICPCCC -39.1PredN
CCPC(C)I11504216.002C4H10IPethyl(1-iodoethyl)phosphaneN166CCPC(C)IInChI=1S/C4H10IP/c1-3-6-4(2)5/h4,6H,3H2,1-2H3InChIKey=WQDXZBSNGAMIIT-UHFFFAOYSA-N159.7Ex 159.73(BP est) -50.33(MP est) ----(BP exp) ----(MP exp) CCPC(C)I -50.3PredN
CCPCCI11505216.002C4H10IPethyl(2-iodoethyl)phosphaneN166CCPCCIInChI=1S/C4H10IP/c1-2-6-4-3-5/h6H,2-4H2,1H3InChIKey=UVYHMRIATYBDRK-UHFFFAOYSA-N172.6Ex 172.62(BP est) -39.06(MP est) ----(BP exp) ----(MP exp) CCPCCI -39.1PredN
CP(CI)CC11506216.002C4H10IPethyl(iodomethyl)(methyl)phosphaneN166CP(CI)CCInChI=1S/C4H10IP/c1-3-6(2)4-5/h3-4H2,1-2H3InChIKey=HBOZSOXDBIBLFK-UHFFFAOYSA-N173.5Ex 173.47(BP est) -39.50(MP est) ----(BP exp) ----(MP exp) CP(CI)CC -39.5PredN
SC(F)(I)(C#C)11507216.012C3H2FIS1-fluoro-1-iodoprop-2-yne-1-thiolN86SC(F)(I)(C#C)InChI=1S/C3H2FIS/c1-2-3(4,5)6/h1,6HInChIKey=BFNIMZIFLPIQCV-UHFFFAOYSA-N177.7Ex 177.71(BP est) -7.49(MP est) ----(BP exp) ----(MP exp) SC(F)(I)(C#C) -7.5PredN
SC(F)(C#CI)11508216.012C3H2FIS1-fluoro-3-iodoprop-2-yne-1-thiolN86SC(F)(C#CI)InChI=1S/C3H2FIS/c4-3(6)1-2-5/h3,6HInChIKey=GVZDQNLOXYWXSD-UHFFFAOYSA-N193.5Ex 193.52(BP est) 17.98(MP est) ----(BP exp) ----(MP exp) SC(F)(C#CI) 18PredN
FC(I)C1=CS111509216.012C3H2FIS2-(fluoroiodomethyl)thiireneN86FC(I)C1=CS1InChI=1S/C3H2FIS/c4-3(5)2-1-6-2/h1,3HInChIKey=VFDUGBPQQOTNOE-UHFFFAOYSA-N174.4Ex 174.39(BP est) -2.43(MP est) ----(BP exp) ----(MP exp) FC(I)C1=CS1 -2.4PredN
IC(S1)=C1CF11510216.012C3H2FIS2-(fluoromethyl)-3-iodothiireneN86IC(S1)=C1CFInChI=1S/C3H2FIS/c4-1-2-3(5)6-2/h1H2InChIKey=XZQJBHRLNMRRFC-UHFFFAOYSA-N185.2Ex 185.15(BP est) 14.47(MP est) ----(BP exp) ----(MP exp) IC(S1)=C1CF 14.5PredN
FC(S1)=C1CI11511216.012C3H2FIS2-fluoro-3-(iodomethyl)thiireneN86FC(S1)=C1CIInChI=1S/C3H2FIS/c4-3-2(1-5)6-3/h1H2InChIKey=YWAAUAMFPNTTQQ-UHFFFAOYSA-N185.2Ex 185.15(BP est) 14.47(MP est) ----(BP exp) ----(MP exp) FC(S1)=C1CI 14.5PredN
SC(I)(C#CF)11512216.012C3H2FIS3-fluoro-1-iodoprop-2-yne-1-thiolN86SC(I)(C#CF)InChI=1S/C3H2FIS/c4-2-1-3(5)6/h3,6HInChIKey=OEIAAFVDELUCJH-UHFFFAOYSA-N193.5Ex 193.52(BP est) 17.98(MP est) ----(BP exp) ----(MP exp) SC(I)(C#CF) 18PredN
NC(NCI)=S11513216.04C2H5IN2S1-(iodomethyl)thioureaN116NC(NCI)=SInChI=1S/C2H5IN2S/c3-1-5-2(4)6/h1H2,(H3,4,5,6)InChIKey=TVZGRPAOPPCMJH-UHFFFAOYSA-N253.9Ex 253.90(BP est) 60.34(MP est) ----(BP exp) ----(MP exp) NC(NCI)=S 60.3PredN
F[Si]1(CC1)CI11514216.069C3H6FISi1-fluoro-1-(iodomethyl)siliraneN126F[Si]1(CC1)CIInChI=1S/C3H6FISi/c4-6(3-5)1-2-6/h1-3H2InChIKey=PZULUXYQDPXZHU-UHFFFAOYSA-N109.6Ex 109.62(BP est) -13.02(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1)CI -13PredN
F[Si]1(CC1I)C11515216.069C3H6FISi1-fluoro-2-iodo-1-methylsiliraneN126F[Si]1(CC1I)CInChI=1S/C3H6FISi/c1-6(4)2-3(6)5/h3H,2H2,1H3InChIKey=GHLCZPZOFWLQHZ-UHFFFAOYSA-N102.7Ex 102.73(BP est) -17.16(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1I)C -17.2PredN
CSC(C)(CI)11516216.08C4H9IS(1-iodopropan-2-yl)(methyl)sulfaneN156CSC(C)(CI)InChI=1S/C4H9IS/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=GXSBLMCQRAEIDO-UHFFFAOYSA-N184.9Ex 184.92(BP est) -33.27(MP est) ----(BP exp) ----(MP exp) CSC(C)(CI) -33.3PredN
CSC(I)(CC)11517216.08C4H9IS(1-iodopropyl)(methyl)sulfaneN156CSC(I)(CC)InChI=1S/C4H9IS/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=BHCJIKWLFZSVCE-UHFFFAOYSA-N184.9Ex 184.92(BP est) -33.27(MP est) ----(BP exp) ----(MP exp) CSC(I)(CC) -33.3PredN
CSC(I)(C)(C)11518216.08C4H9IS(2-iodopropan-2-yl)(methyl)sulfaneN156CSC(I)(C)(C)InChI=1S/C4H9IS/c1-4(2,5)6-3/h1-3H3InChIKey=NNTCAXDNUGCDQP-UHFFFAOYSA-N176.7Ex 176.69(BP est) -26.97(MP est) ----(BP exp) ----(MP exp) CSC(I)(C)(C) -27PredN
CSC(C(I)C)11519216.08C4H9IS(2-iodopropyl)(methyl)sulfaneN156CSC(C(I)C)InChI=1S/C4H9IS/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=YYJGGSXPAHJEFQ-UHFFFAOYSA-N184.9Ex 184.92(BP est) -33.27(MP est) ----(BP exp) ----(MP exp) CSC(C(I)C) -33.3PredN
CSC(CCI)11520216.08C4H9IS(3-iodopropyl)(methyl)sulfaneN156CSC(CCI)InChI=1S/C4H9IS/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=MGMVTKAYVYCTOB-UHFFFAOYSA-N197.2Ex 197.16(BP est) -22.20(MP est) ----(BP exp) ----(MP exp) CSC(CCI) -22.2PredN
C(I)SC(C)(C)11521216.08C4H9IS(iodomethyl)(isopropyl)sulfaneN156C(I)SC(C)(C)InChI=1S/C4H9IS/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=NMWYFKOAMSTNOG-UHFFFAOYSA-N184.9Ex 184.92(BP est) -33.27(MP est) ----(BP exp) ----(MP exp) C(I)SC(C)(C) -33.3PredN
C(I)SC(CC)11522216.08C4H9IS(iodomethyl)(propyl)sulfaneN156C(I)SC(CC)InChI=1S/C4H9IS/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=VSSZIFVNNRYSPP-UHFFFAOYSA-N197.2Ex 197.16(BP est) -22.20(MP est) ----(BP exp) ----(MP exp) C(I)SC(CC) -22.2PredN
SC(I)C(C)(C)11523216.08C4H9IS1-iodo-2-methylpropane-1-thiolN156SC(I)C(C)(C)InChI=1S/C4H9IS/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=VMGMZPWMYMJXKZ-UHFFFAOYSA-N184.9Ex 184.86(BP est) -39.76(MP est) ----(BP exp) ----(MP exp) SC(I)C(C)(C) -39.8PredN
SC(C)(C)(CI)11524216.08C4H9IS1-iodo-2-methylpropane-2-thiolN156SC(C)(C)(CI)InChI=1S/C4H9IS/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=XNQGYDFOJJXTNC-UHFFFAOYSA-N189.1Ex 189.09(BP est) -22.32(MP est) ----(BP exp) ----(MP exp) SC(C)(C)(CI) -22.3PredN
SC(I)(CCC)11525216.08C4H9IS1-iodobutane-1-thiolN156SC(I)(CCC)InChI=1S/C4H9IS/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=POHBVMBVAKWHSY-UHFFFAOYSA-N197.1Ex 197.10(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) SC(I)(CCC) -28.7PredN
SC(CI)(CC)11526216.08C4H9IS1-iodobutane-2-thiolN156SC(CI)(CC)InChI=1S/C4H9IS/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=BDNGZQOXGQJAKG-UHFFFAOYSA-N197.1Ex 197.10(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) SC(CI)(CC) -28.7PredN
SCC(I)(C)(C)11527216.08C4H9IS2-iodo-2-methylpropane-1-thiolN156SCC(I)(C)(C)InChI=1S/C4H9IS/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=ZZPCYEYDMGRBAZ-UHFFFAOYSA-N189.1Ex 189.09(BP est) -22.32(MP est) ----(BP exp) ----(MP exp) SCC(I)(C)(C) -22.3PredN
SC(C(I)CC)11528216.08C4H9IS2-iodobutane-1-thiolN156SC(C(I)CC)InChI=1S/C4H9IS/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=HNLSLAGYDCWNFY-UHFFFAOYSA-N197.1Ex 197.10(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) SC(C(I)CC) -28.7PredN
SC(I)(C)(CC)11529216.08C4H9IS2-iodobutane-2-thiolN156SC(I)(C)(CC)InChI=1S/C4H9IS/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=XHJYNSUPKWTQNZ-UHFFFAOYSA-N189.1Ex 189.09(BP est) -22.32(MP est) ----(BP exp) ----(MP exp) SC(I)(C)(CC) -22.3PredN
SCC(C)(CI)11530216.08C4H9IS3-iodo-2-methylpropane-1-thiolN156SCC(C)(CI)InChI=1S/C4H9IS/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=DVDFPFANWJWPER-UHFFFAOYSA-N197.1Ex 197.10(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) SCC(C)(CI) -28.7PredN
SC(CC(I)C)11531216.08C4H9IS3-iodobutane-1-thiolN156SC(CC(I)C)InChI=1S/C4H9IS/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=WSWIZTQVAUADQP-UHFFFAOYSA-N197.1Ex 197.10(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) SC(CC(I)C) -28.7PredN
SC(C)(C(I)C)11532216.08C4H9IS3-iodobutane-2-thiolN156SC(C)(C(I)C)InChI=1S/C4H9IS/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=CTPZMCBVPYUNNW-UHFFFAOYSA-N184.9Ex 184.86(BP est) -39.76(MP est) ----(BP exp) ----(MP exp) SC(C)(C(I)C) -39.8PredN
SC(CCCI)11533216.08C4H9IS4-iodobutane-1-thiolN156SC(CCCI)InChI=1S/C4H9IS/c5-3-1-2-4-6/h6H,1-4H2InChIKey=QUTUFMDFVDUWPO-UHFFFAOYSA-N209.0Ex 209.02(BP est) -17.71(MP est) ----(BP exp) ----(MP exp) SC(CCCI) -17.7PredN
SC(C)(CCI)11534216.08C4H9IS4-iodobutane-2-thiolN156SC(C)(CCI)InChI=1S/C4H9IS/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=VUOJNGXDDQLNQA-UHFFFAOYSA-N197.1Ex 197.10(BP est) -28.69(MP est) ----(BP exp) ----(MP exp) SC(C)(CCI) -28.7PredN
C(C)SC(I)(C)11535216.08C4H9ISethyl(1-iodoethyl)sulfaneN156C(C)SC(I)(C)InChI=1S/C4H9IS/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=WDNIVACEHFIIMZ-UHFFFAOYSA-N184.9Ex 184.92(BP est) -33.27(MP est) ----(BP exp) ----(MP exp) C(C)SC(I)(C) -33.3PredN
C(C)SC(CI)11536216.08C4H9ISethyl(2-iodoethyl)sulfaneN156C(C)SC(CI)InChI=1S/C4H9IS/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=XOXYOOUFPONYNF-UHFFFAOYSA-N197.2Ex 197.16(BP est) -22.20(MP est) ----(BP exp) ----(MP exp) C(C)SC(CI) -22.2PredN
OC(C#C)(Cl)(I)11537216.402C3H2ClIO1-chloro-1-iodoprop-2-yn-1-olN86OC(C#C)(Cl)(I)InChI=1S/C3H2ClIO/c1-2-3(4,5)6/h1,6HInChIKey=OAGWXJYOOMENKO-UHFFFAOYSA-N197.7Ex 197.73(BP est) 25.20(MP est) ----(BP exp) ----(MP exp) OC(C#C)(Cl)(I) 25.2PredN
ClC(I)C1=CO111538216.402C3H2ClIO2-(chloroiodomethyl)oxireneN86ClC(I)C1=CO1InChI=1S/C3H2ClIO/c4-3(5)2-1-6-2/h1,3HInChIKey=RAPINKOBULFBJS-UHFFFAOYSA-N185.8Ex 185.78(BP est) -9.88(MP est) ----(BP exp) ----(MP exp) ClC(I)C1=CO1 -9.9PredN
IC(O1)=C1CCl11539216.402C3H2ClIO2-(chloromethyl)-3-iodooxireneN86IC(O1)=C1CClInChI=1S/C3H2ClIO/c4-1-2-3(5)6-2/h1H2InChIKey=AVVFNMUFMFMLBB-UHFFFAOYSA-N207.1Ex 207.10(BP est) 10.10(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1CCl 10.1PredN
ClC(O1)=C1CI11540216.402C3H2ClIO2-chloro-3-(iodomethyl)oxireneN86ClC(O1)=C1CIInChI=1S/C3H2ClIO/c4-3-2(1-5)6-3/h1H2InChIKey=YXKCXJSPEBYFLX-UHFFFAOYSA-N183.4Ex 183.39(BP est) 3.18(MP est) ----(BP exp) ----(MP exp) ClC(O1)=C1CI 3.2PredN
C(=O)C(Cl)=C(I)11541216.402C3H2ClIO2-chloro-3-iodoacrylaldehydeN86C(=O)C(Cl)=C(I)InChI=1S/C3H2ClIO/c4-3(1-5)2-6/h1-2HInChIKey=YKQBVSYSWORMJM-UHFFFAOYSA-N201.2Ex 201.22(BP est) -17.41(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)=C(I) -17.4PredN
C(=O)C(I)=C(Cl)11542216.402C3H2ClIO3-chloro-2-iodoacrylaldehydeN86C(=O)C(I)=C(Cl)InChI=1S/C3H2ClIO/c4-1-3(5)2-6/h1-2HInChIKey=LYBOOJVBGHRCHK-UHFFFAOYSA-N201.2Ex 201.22(BP est) -17.41(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)=C(Cl) -17.4PredN
C(=O)C=C(Cl)(I)11543216.402C3H2ClIO3-chloro-3-iodoacrylaldehydeN86C(=O)C=C(Cl)(I)InChI=1S/C3H2ClIO/c4-3(5)1-2-6/h1-2HInChIKey=DMEPGHPVDIXQRU-UHFFFAOYSA-N201.2Ex 201.22(BP est) -17.41(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(Cl)(I) -17.4PredN
C(C(Cl)I)(C1)(C1)11544216.446C4H6ClI(chloroiodomethyl)cyclopropaneN126C(C(Cl)I)(C1)(C1)InChI=1S/C4H6ClI/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=XABXAIFFSISNBQ-UHFFFAOYSA-N173.2Ex 173.17(BP est) -29.97(MP est) ----(BP exp) ----(MP exp) C(C(Cl)I)(C1)(C1) -30PredN
C(I)(CCl)(C1)(C1)11545216.446C4H6ClI1-(chloromethyl)-1-iodocyclopropaneN126C(I)(CCl)(C1)(C1)InChI=1S/C4H6ClI/c5-3-4(6)1-2-4/h1-3H2InChIKey=PARXJMFWRLUBQZ-UHFFFAOYSA-N186.1Ex 186.10(BP est) -6.75(MP est) ----(BP exp) ----(MP exp) C(I)(CCl)(C1)(C1) -6.8PredN
C(CCl)(C1)(C1I)11546216.446C4H6ClI1-(chloromethyl)-2-iodocyclopropaneN126C(CCl)(C1)(C1I)InChI=1S/C4H6ClI/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=KOXOVKLGUIAPDL-UHFFFAOYSA-N191.0Ex 190.96(BP est) -19.40(MP est) ----(BP exp) ----(MP exp) C(CCl)(C1)(C1I) -19.4PredN
C(Cl)(CI)(C1)(C1)11547216.446C4H6ClI1-chloro-1-(iodomethyl)cyclopropaneN126C(Cl)(CI)(C1)(C1)InChI=1S/C4H6ClI/c5-4(3-6)1-2-4/h1-3H2InChIKey=AMNABZBQNSVMBO-UHFFFAOYSA-N163.2Ex 163.18(BP est) -13.44(MP est) ----(BP exp) ----(MP exp) C(Cl)(CI)(C1)(C1) -13.4PredN
CC1CC1(I)Cl11548216.446C4H6ClI1-chloro-1-iodo-2-methylcyclopropaneN126CC1CC1(I)ClInChI=1S/C4H6ClI/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=BFUPTYUCNNHTDR-UHFFFAOYSA-N156.9Ex 156.91(BP est) -17.39(MP est) ----(BP exp) ----(MP exp) CC1CC1(I)Cl -17.4PredN
C(Cl)(I)=C(C)(C)11549216.446C4H6ClI1-chloro-1-iodo-2-methylprop-1-eneN126C(Cl)(I)=C(C)(C)InChI=1S/C4H6ClI/c1-3(2)4(5)6/h1-2H3InChIKey=ROQSZHHCWVGZOC-UHFFFAOYSA-N163.9Ex 163.85(BP est) -50.67(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)=C(C)(C) -50.7PredN
C(CC=C(Cl)I)11550216.446C4H6ClI1-chloro-1-iodobut-1-eneN126C(CC=C(Cl)I)InChI=1S/C4H6ClI/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=USMZLWCFLVEWPF-UHFFFAOYSA-N169.7Ex 169.68(BP est) -41.98(MP est) ----(BP exp) ----(MP exp) C(CC=C(Cl)I) -42PredN
C(C)=C(C(Cl)I)11551216.446C4H6ClI1-chloro-1-iodobut-2-eneN126C(C)=C(C(Cl)I)InChI=1S/C4H6ClI/c1-2-3-4(5)6/h2-4H,1H3InChIKey=IKWHXNDVALSPHB-UHFFFAOYSA-N176.1Ex 176.07(BP est) -40.64(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(Cl)I) -40.6PredN
C(C1)(CC1(Cl)I)11552216.446C4H6ClI1-chloro-1-iodocyclobutaneN126C(C1)(CC1(Cl)I)InChI=1S/C4H6ClI/c5-4(6)2-1-3-4/h1-3H2InChIKey=KIBBFTPNDRKCPM-UHFFFAOYSA-N165.2Ex 165.15(BP est) -14.63(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1(Cl)I) -14.6PredN
C(CI)(C1)(C1Cl)11553216.446C4H6ClI1-chloro-2-(iodomethyl)cyclopropaneN126C(CI)(C1)(C1Cl)InChI=1S/C4H6ClI/c5-4-1-3(4)2-6/h3-4H,1-2H2InChIKey=GMOUUXSMHJHELT-UHFFFAOYSA-N179.7Ex 179.73(BP est) -22.68(MP est) ----(BP exp) ----(MP exp) C(CI)(C1)(C1Cl) -22.7PredN
ClC1(CC1I)C11554216.446C4H6ClI1-chloro-2-iodo-1-methylcyclopropaneN126ClC1(CC1I)CInChI=1S/C4H6ClI/c1-4(5)2-3(4)6/h3H,2H2,1H3InChIKey=NNNBNYJEQIIGGL-UHFFFAOYSA-N156.9Ex 156.91(BP est) -17.39(MP est) ----(BP exp) ----(MP exp) ClC1(CC1I)C -17.4PredN
C(C)(C1Cl)(C1I)11555216.446C4H6ClI1-chloro-2-iodo-3-methylcyclopropaneN126C(C)(C1Cl)(C1I)InChI=1S/C4H6ClI/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=DXJXLAWHIBGMNB-UHFFFAOYSA-N173.7Ex 173.66(BP est) -26.57(MP est) ----(BP exp) ----(MP exp) C(C)(C1Cl)(C1I) -26.6PredN
C(CC(I)=CCl)11556216.446C4H6ClI1-chloro-2-iodobut-1-eneN126C(CC(I)=CCl)InChI=1S/C4H6ClI/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=OEGJYNRJTOUJAR-UHFFFAOYSA-N169.7Ex 169.68(BP est) -41.98(MP est) ----(BP exp) ----(MP exp) C(CC(I)=CCl) -42PredN
C(C)=C(I)(CCl)11557216.446C4H6ClI1-chloro-2-iodobut-2-eneN126C(C)=C(I)(CCl)InChI=1S/C4H6ClI/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=JPIBGQJTALIDKR-UHFFFAOYSA-N194.1Ex 194.09(BP est) -34.86(MP est) ----(BP exp) ----(MP exp) C(C)=C(I)(CCl) -34.9PredN
C(C1)(C(Cl)C1I)11558216.446C4H6ClI1-chloro-2-iodocyclobutaneN126C(C1)(C(Cl)C1I)InChI=1S/C4H6ClI/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=ATGQGFZVXPBWIO-UHFFFAOYSA-N181.6Ex 181.63(BP est) -23.88(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Cl)C1I) -23.9PredN
C(Cl)=C(C)(CI)11559216.446C4H6ClI1-chloro-3-iodo-2-methylprop-1-eneN126C(Cl)=C(C)(CI)InChI=1S/C4H6ClI/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=VMBQIZMESPSLKH-UHFFFAOYSA-N169.7Ex 169.68(BP est) -41.98(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(C)(CI) -42PredN
C(C(I)C=CCl)11560216.446C4H6ClI1-chloro-3-iodobut-1-eneN126C(C(I)C=CCl)InChI=1S/C4H6ClI/c1-4(6)2-3-5/h2-4H,1H3InChIKey=FXJKASHVJOBISC-UHFFFAOYSA-N162.6Ex 162.62(BP est) -44.56(MP est) ----(BP exp) ----(MP exp) C(C(I)C=CCl) -44.6PredN
C(CCl)=C(I)(C)11561216.446C4H6ClI1-chloro-3-iodobut-2-eneN126C(CCl)=C(I)(C)InChI=1S/C4H6ClI/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=JROJXAHKIDDWSW-UHFFFAOYSA-N194.1Ex 194.09(BP est) -34.86(MP est) ----(BP exp) ----(MP exp) C(CCl)=C(I)(C) -34.9PredN
C(C1Cl)(C(I)C1)11562216.446C4H6ClI1-chloro-3-iodocyclobutaneN126C(C1Cl)(C(I)C1)InChI=1S/C4H6ClI/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=DSULYNNHKGUWJT-UHFFFAOYSA-N181.6Ex 181.63(BP est) -23.88(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C(I)C1) -23.9PredN
C(I)(CC=CCl)11563216.446C4H6ClI1-chloro-4-iodobut-1-eneN126C(I)(CC=CCl)InChI=1S/C4H6ClI/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=ACZBJXIORORCCV-UHFFFAOYSA-N175.4Ex 175.44(BP est) -33.32(MP est) ----(BP exp) ----(MP exp) C(I)(CC=CCl) -33.3PredN
C(CCl)=C(CI)11564216.446C4H6ClI1-chloro-4-iodobut-2-eneN126C(CCl)=C(CI)InChI=1S/C4H6ClI/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=SAYUIIMNMKAWLD-UHFFFAOYSA-N199.6Ex 199.56(BP est) -26.28(MP est) ----(BP exp) ----(MP exp) C(CCl)=C(CI) -26.3PredN
C(I)(C)(C1)(C1Cl)11565216.446C4H6ClI2-chloro-1-iodo-1-methylcyclopropaneN126C(I)(C)(C1)(C1Cl)InChI=1S/C4H6ClI/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=LIVUNAYNRLFGKU-UHFFFAOYSA-N168.6Ex 168.62(BP est) -13.97(MP est) ----(BP exp) ----(MP exp) C(I)(C)(C1)(C1Cl) -14PredN
C(CC(Cl)=CI)11566216.446C4H6ClI2-chloro-1-iodobut-1-eneN126C(CC(Cl)=CI)InChI=1S/C4H6ClI/c1-2-4(5)3-6/h3H,2H2,1H3InChIKey=QORAZERQHPIEAI-UHFFFAOYSA-N169.7Ex 169.68(BP est) -41.98(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)=CI) -42PredN
C(C)=C(Cl)(CI)11567216.446C4H6ClI2-chloro-1-iodobut-2-eneN126C(C)=C(Cl)(CI)InChI=1S/C4H6ClI/c1-2-4(5)3-6/h2H,3H2,1H3InChIKey=GFKXZJRKPBFZBH-UHFFFAOYSA-N169.7Ex 169.68(BP est) -41.98(MP est) ----(BP exp) ----(MP exp) C(C)=C(Cl)(CI) -42PredN
CC(C(Cl)=C)I11569216.446C4H6ClI2-chloro-3-iodobut-1-eneN126CC(C(Cl)=C)IInChI=1S/C4H6ClI/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=QWRRCVSJIZORLJ-UHFFFAOYSA-N148.3Ex 148.30(BP est) -54.06(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)=C)I -54.1PredN
C(Cl)(C)=C(I)(C)11570216.446C4H6ClI2-chloro-3-iodobut-2-eneN126C(Cl)(C)=C(I)(C)InChI=1S/C4H6ClI/c1-3(5)4(2)6/h1-2H3InChIKey=UTPOTWSRXFZZBN-UHFFFAOYSA-N163.9Ex 163.85(BP est) -50.67(MP est) ----(BP exp) ----(MP exp) C(Cl)(C)=C(I)(C) -50.7PredN
C(I)(CC(Cl)=C)11571216.446C4H6ClI2-chloro-4-iodobut-1-eneN126C(I)(CC(Cl)=C)InChI=1S/C4H6ClI/c1-4(5)2-3-6/h1-3H2InChIKey=UGIPXKXGPWVDHB-UHFFFAOYSA-N161.5Ex 161.48(BP est) -42.72(MP est) ----(BP exp) ----(MP exp) C(I)(CC(Cl)=C) -42.7PredN
C(I)=C(C)(CCl)11572216.446C4H6ClI3-chloro-1-iodo-2-methylprop-1-eneN126C(I)=C(C)(CCl)InChI=1S/C4H6ClI/c1-4(2-5)3-6/h3H,2H2,1H3InChIKey=WMNDMALVXIVHCD-UHFFFAOYSA-N194.1Ex 194.09(BP est) -34.86(MP est) ----(BP exp) ----(MP exp) C(I)=C(C)(CCl) -34.9PredN
C(C(Cl)C=CI)11573216.446C4H6ClI3-chloro-1-iodobut-1-eneN126C(C(Cl)C=CI)InChI=1S/C4H6ClI/c1-4(5)2-3-6/h2-4H,1H3InChIKey=GIYWYOGHAIDXKJ-UHFFFAOYSA-N176.1Ex 176.07(BP est) -40.64(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C=CI) -40.6PredN
C(CI)=C(Cl)(C)11574216.446C4H6ClI3-chloro-1-iodobut-2-eneN126C(CI)=C(Cl)(C)InChI=1S/C4H6ClI/c1-4(5)2-3-6/h2H,3H2,1H3InChIKey=XIGISXDJPIFSMC-UHFFFAOYSA-N169.7Ex 169.68(BP est) -41.98(MP est) ----(BP exp) ----(MP exp) C(CI)=C(Cl)(C) -42PredN
C=C(CCl)(CI)11575216.446C4H6ClI3-chloro-2-(iodomethyl)prop-1-eneN126C=C(CCl)(CI)InChI=1S/C4H6ClI/c1-4(2-5)3-6/h1-3H2InChIKey=UQMLDUCYQZVFAR-UHFFFAOYSA-N186.3Ex 186.30(BP est) -35.47(MP est) ----(BP exp) ----(MP exp) C=C(CCl)(CI) -35.5PredN
C(C(Cl)C(I)=C)11576216.446C4H6ClI3-chloro-2-iodobut-1-eneN126C(C(Cl)C(I)=C)InChI=1S/C4H6ClI/c1-3(5)4(2)6/h3H,2H2,1H3InChIKey=RFZXXUMWDBQTQG-UHFFFAOYSA-N162.1Ex 162.13(BP est) -50.03(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(I)=C) -50PredN
C=C(C)(C(Cl)I)11577216.446C4H6ClI3-chloro-3-iodo-2-methylprop-1-eneN126C=C(C)(C(Cl)I)InChI=1S/C4H6ClI/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=IYANECHGMOMELA-UHFFFAOYSA-N162.1Ex 162.13(BP est) -50.03(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(Cl)I) -50PredN
CC(I)(C=C)Cl11578216.446C4H6ClI3-chloro-3-iodobut-1-eneN126CC(I)(C=C)ClInChI=1S/C4H6ClI/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=MVHIIIPNSPTLNZ-UHFFFAOYSA-N147.5Ex 147.53(BP est) -38.60(MP est) ----(BP exp) ----(MP exp) CC(I)(C=C)Cl -38.6PredN
C(I)(C(Cl)C=C)11579216.446C4H6ClI3-chloro-4-iodobut-1-eneN126C(I)(C(Cl)C=C)InChI=1S/C4H6ClI/c1-2-4(5)3-6/h2,4H,1,3H2InChIKey=PAXYDKDMFDNEBX-UHFFFAOYSA-N168.0Ex 167.98(BP est) -41.34(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)C=C) -41.3PredN
C(Cl)(CC=CI)11580216.446C4H6ClI4-chloro-1-iodobut-1-eneN126C(Cl)(CC=CI)InChI=1S/C4H6ClI/c5-3-1-2-4-6/h2,4H,1,3H2InChIKey=RFAANBTYBONMNS-UHFFFAOYSA-N199.6Ex 199.56(BP est) -26.28(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC=CI) -26.3PredN
C(Cl)(CC(I)=C)11581216.446C4H6ClI4-chloro-2-iodobut-1-eneN126C(Cl)(CC(I)=C)InChI=1S/C4H6ClI/c1-4(6)2-3-5/h1-3H2InChIKey=VFJVBYWWJGFUNS-UHFFFAOYSA-N186.3Ex 186.30(BP est) -35.47(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(I)=C) -35.5PredN
C(Cl)(C(I)C=C)11582216.446C4H6ClI4-chloro-3-iodobut-1-eneN126C(Cl)(C(I)C=C)InChI=1S/C4H6ClI/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=WOIFSIXZXXOITJ-UHFFFAOYSA-N179.5Ex 179.48(BP est) -37.98(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)C=C) -38PredN
C(Cl)(I)(CC=C)11583216.446C4H6ClI4-chloro-4-iodobut-1-eneN126C(Cl)(I)(CC=C)InChI=1S/C4H6ClI/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=LGJVJQBLCPEWEU-UHFFFAOYSA-N168.0Ex 167.98(BP est) -41.34(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(CC=C) -41.3PredN
BrC(C(N)=O)Br11584216.86C2H3Br2NO2,2-dibromoacetamideN96BrC(C(N)=O)BrInChI=1S/C2H3Br2NO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=YUIKPESWSMJSMP-UHFFFAOYSA-N284.8Ex 284.76(BP est) 84.17(MP est) ----(BP exp) ----(MP exp) BrC(C(N)=O)Br 84.2PredY(Kladi et al. 2004)
BrC1(Br)N(O)C111585216.86C2H3Br2NO2,2-dibromoaziridin-1-olN96BrC1(Br)N(O)C1InChI=1S/C2H3Br2NO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=KGNFFOKVPMYUCQ-UHFFFAOYSA-N288.9Ex 288.89(BP est) 77.15(MP est) ----(BP exp) ----(MP exp) BrC1(Br)N(O)C1 77.2PredN
BrC1(Br)NOC111586216.86C2H3Br2NO3,3-dibromo-1,2-oxazetidineN96BrC1(Br)NOC1InChI=1S/C2H3Br2NO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=UXDLLKMGVOUHIU-UHFFFAOYSA-N207.7Ex 207.68(BP est) 37.87(MP est) ----(BP exp) ----(MP exp) BrC1(Br)NOC1 37.9PredN
BrC1NOC1Br11587216.86C2H3Br2NO3,4-dibromo-1,2-oxazetidineN96BrC1NOC1BrInChI=1S/C2H3Br2NO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=GSYJLSDOCRRSBF-UHFFFAOYSA-N212.3Ex 212.31(BP est) 32.86(MP est) ----(BP exp) ----(MP exp) BrC1NOC1Br 32.9PredN
BrC1(Br)CNO111588216.86C2H3Br2NO4,4-dibromo-1,2-oxazetidineN96BrC1(Br)CNO1InChI=1S/C2H3Br2NO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=MXPPOYPLPGWZLT-UHFFFAOYSA-N207.7Ex 207.68(BP est) 37.87(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CNO1 37.9PredN
NOC(Br)=CBr11589216.86C2H3Br2NOO-(1,2-dibromovinyl)hydroxylamineN96NOC(Br)=CBrInChI=1S/C2H3Br2NO/c3-1-2(4)6-5/h1H,5H2InChIKey=GLBMJCCLZXYGLS-UHFFFAOYSA-N209.8Ex 209.80(BP est) 27.02(MP est) ----(BP exp) ----(MP exp) NOC(Br)=CBr 27PredN
NOC=C(Br)Br11590216.86C2H3Br2NOO-(2,2-dibromovinyl)hydroxylamineN96NOC=C(Br)BrInChI=1S/C2H3Br2NO/c3-2(4)1-6-5/h1H,5H2InChIKey=ZRPYSNPMBVIQKV-UHFFFAOYSA-N209.8Ex 209.80(BP est) 27.02(MP est) ----(BP exp) ----(MP exp) NOC=C(Br)Br 27PredN
CN(C)C(Br)(Br)11591216.904C3H7Br2N1,1-dibromo-N,N-dimethylmethanamineN136CN(C)C(Br)(Br)InChI=1S/C3H7Br2N/c1-6(2)3(4)5/h3H,1-2H3InChIKey=QVGVOGMSJMJKRK-UHFFFAOYSA-N161.4Ex 161.44(BP est) -15.96(MP est) ----(BP exp) ----(MP exp) CN(C)C(Br)(Br) -16PredN
CNC(Br)(Br)(C)11592216.904C3H7Br2N1,1-dibromo-N-methylethan-1-amineN136CNC(Br)(Br)(C)InChI=1S/C3H7Br2N/c1-3(4,5)6-2/h6H,1-2H3InChIKey=WUMGMJKCTQTVIE-UHFFFAOYSA-N172.1Ex 172.14(BP est) 5.97(MP est) ----(BP exp) ----(MP exp) CNC(Br)(Br)(C) 6PredN
NC(Br)(Br)(CC)11593216.904C3H7Br2N1,1-dibromopropan-1-amineN136NC(Br)(Br)(CC)InChI=1S/C3H7Br2N/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=HSNXPNJOHHSPHQ-UHFFFAOYSA-N188.4Ex 188.40(BP est) 26.02(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(CC) 26PredN
NC(C)(C(Br)Br)11594216.904C3H7Br2N1,1-dibromopropan-2-amineN136NC(C)(C(Br)Br)InChI=1S/C3H7Br2N/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=AWTDUKSGRWCIIJ-UHFFFAOYSA-N184.2Ex 184.16(BP est) 8.57(MP est) ----(BP exp) ----(MP exp) NC(C)(C(Br)Br) 8.6PredN
CNC(Br)(CBr)11595216.904C3H7Br2N1,2-dibromo-N-methylethan-1-amineN136CNC(Br)(CBr)InChI=1S/C3H7Br2N/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=DLSDJAFKYLQDIZ-UHFFFAOYSA-N180.5Ex 180.45(BP est) -0.31(MP est) ----(BP exp) ----(MP exp) CNC(Br)(CBr) -0.3PredN
NC(Br)(C(Br)C)11596216.904C3H7Br2N1,2-dibromopropan-1-amineN136NC(Br)(C(Br)C)InChI=1S/C3H7Br2N/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=ZXNBOPOAUVGTDF-UHFFFAOYSA-N184.2Ex 184.16(BP est) 8.57(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Br)C) 8.6PredN
NC(Br)(C)(CBr)11597216.904C3H7Br2N1,2-dibromopropan-2-amineN136NC(Br)(C)(CBr)InChI=1S/C3H7Br2N/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=PYJZWEUHRYEBDI-UHFFFAOYSA-N188.4Ex 188.40(BP est) 26.02(MP est) ----(BP exp) ----(MP exp) NC(Br)(C)(CBr) 26PredN
NC(Br)(CCBr)11598216.904C3H7Br2N1,3-dibromopropan-1-amineN136NC(Br)(CCBr)InChI=1S/C3H7Br2N/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=GSXPMCOKLLLKNA-UHFFFAOYSA-N196.4Ex 196.43(BP est) 19.65(MP est) ----(BP exp) ----(MP exp) NC(Br)(CCBr) 19.7PredN
NC(CBr)(CBr)11599216.904C3H7Br2N1,3-dibromopropan-2-amineN136NC(CBr)(CBr)InChI=1S/C3H7Br2N/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=XRPORTPXUPFQRX-UHFFFAOYSA-N196.4Ex 196.43(BP est) 19.65(MP est) ----(BP exp) ----(MP exp) NC(CBr)(CBr) 19.7PredN
C(Br)NC(Br)(C)11600216.904C3H7Br2N1-bromo-N-(bromomethyl)ethan-1-amineN136C(Br)NC(Br)(C)InChI=1S/C3H7Br2N/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=YXXXIXGLORSJMX-UHFFFAOYSA-N180.5Ex 180.45(BP est) -0.31(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Br)(C) -0.3PredN
CN(C(Br))C(Br)11601216.904C3H7Br2N1-bromo-N-(bromomethyl)-N-methylmethanamineN136CN(C(Br))C(Br)InChI=1S/C3H7Br2N/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=AGMYNPXORUEWGF-UHFFFAOYSA-N174.3Ex 174.29(BP est) -4.71(MP est) ----(BP exp) ----(MP exp) CN(C(Br))C(Br) -4.7PredN
CNC(C(Br)Br)11602216.904C3H7Br2N2,2-dibromo-N-methylethan-1-amineN136CNC(C(Br)Br)InChI=1S/C3H7Br2N/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=UXFQIAWIVJRGIK-UHFFFAOYSA-N180.5Ex 180.45(BP est) -0.31(MP est) ----(BP exp) ----(MP exp) CNC(C(Br)Br) -0.3PredN
NC(C(Br)(Br)C)11603216.904C3H7Br2N2,2-dibromopropan-1-amineN136NC(C(Br)(Br)C)InChI=1S/C3H7Br2N/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=AXCIPAVQFVCURS-UHFFFAOYSA-N188.4Ex 188.40(BP est) 26.02(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(Br)C) 26PredN
NC(C(Br)CBr)11604216.904C3H7Br2N2,3-dibromopropan-1-amineN136NC(C(Br)CBr)InChI=1S/C3H7Br2N/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=VKQMAOOHJWXMPL-UHFFFAOYSA-N196.4Ex 196.43(BP est) 19.65(MP est) ----(BP exp) ----(MP exp) NC(C(Br)CBr) 19.7PredN
C(Br)NC(CBr)11605216.904C3H7Br2N2-bromo-N-(bromomethyl)ethan-1-amineN136C(Br)NC(CBr)InChI=1S/C3H7Br2N/c4-1-2-6-3-5/h6H,1-3H2InChIKey=BIFDJNLJVIMQOP-UHFFFAOYSA-N192.8Ex 192.81(BP est) 10.80(MP est) ----(BP exp) ----(MP exp) C(Br)NC(CBr) 10.8PredN
NC(CC(Br)Br)11606216.904C3H7Br2N3,3-dibromopropan-1-amineN136NC(CC(Br)Br)InChI=1S/C3H7Br2N/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=NIDHKKACEOYPJN-UHFFFAOYSA-N196.4Ex 196.43(BP est) 19.65(MP est) ----(BP exp) ----(MP exp) NC(CC(Br)Br) 19.7PredN
C(Br)(Br)NC(C)11607216.904C3H7Br2NN-(dibromomethyl)ethanamineN136C(Br)(Br)NC(C)InChI=1S/C3H7Br2N/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=XDAGHVQYXOPJAF-UHFFFAOYSA-N180.5Ex 180.45(BP est) -0.31(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)NC(C) -0.3PredN
NC(Cl)(I)(C=C)11608217.434C3H5ClIN1-chloro-1-iodoprop-2-en-1-amineN116NC(Cl)(I)(C=C)InChI=1S/C3H5ClIN/c1-2-3(4,5)6/h2H,1,6H2InChIKey=FKKNHYGRFZXRHC-UHFFFAOYSA-N182.9Ex 182.91(BP est) 7.72(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)(C=C) 7.7PredN
NC(Cl)(C1)(C1I)11609217.434C3H5ClIN1-chloro-2-iodocyclopropan-1-amineN116NC(Cl)(C1)(C1I)InChI=1S/C3H5ClIN/c4-3(6)1-2(3)5/h2H,1,6H2InChIKey=AFPJSEORWMHKRN-UHFFFAOYSA-N191.6Ex 191.64(BP est) 28.74(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C1)(C1I) 28.7PredN
NC(Cl)(C(I)=C)11610217.434C3H5ClIN1-chloro-2-iodoprop-2-en-1-amineN116NC(Cl)(C(I)=C)InChI=1S/C3H5ClIN/c1-2(5)3(4)6/h3H,1,6H2InChIKey=NRNINOITGYXRBC-UHFFFAOYSA-N196.5Ex 196.51(BP est) -4.00(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(I)=C) -4PredN
NC(Cl)(C=CI)11611217.434C3H5ClIN1-chloro-3-iodoprop-2-en-1-amineN116NC(Cl)(C=CI)InChI=1S/C3H5ClIN/c4-3(6)1-2-5/h1-3H,6H2InChIKey=PCBKNZTYGALWML-UHFFFAOYSA-N209.5Ex 209.47(BP est) 5.11(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C=CI) 5.1PredN
ClC(I)C1CN111612217.434C3H5ClIN2-(chloroiodomethyl)aziridineN116ClC(I)C1CN1InChI=1S/C3H5ClIN/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=FABCYJMMTLODKU-UHFFFAOYSA-N206.0Ex 206.02(BP est) 26.50(MP est) ----(BP exp) ----(MP exp) ClC(I)C1CN1 26.5PredN
IC1(CCl)CN111613217.434C3H5ClIN2-(chloromethyl)-2-iodoaziridineN116IC1(CCl)CN1InChI=1S/C3H5ClIN/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=QESWBNDJJFROFX-UHFFFAOYSA-N218.0Ex 218.04(BP est) 37.52(MP est) ----(BP exp) ----(MP exp) IC1(CCl)CN1 37.5PredN
IC1C(CCl)N111614217.434C3H5ClIN2-(chloromethyl)-3-iodoaziridineN116IC1C(CCl)N1InChI=1S/C3H5ClIN/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=BECGKEXUPRJBMU-UHFFFAOYSA-N222.6Ex 222.55(BP est) 29.90(MP est) ----(BP exp) ----(MP exp) IC1C(CCl)N1 29.9PredN
NC(I)(C1)(C1Cl)11615217.434C3H5ClIN2-chloro-1-iodocyclopropan-1-amineN116NC(I)(C1)(C1Cl)InChI=1S/C3H5ClIN/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=WAXUTEVQRWROOM-UHFFFAOYSA-N202.6Ex 202.55(BP est) 22.82(MP est) ----(BP exp) ----(MP exp) NC(I)(C1)(C1Cl) 22.8PredN
NC(I)(C(Cl)=C)11616217.434C3H5ClIN2-chloro-1-iodoprop-2-en-1-amineN116NC(I)(C(Cl)=C)InChI=1S/C3H5ClIN/c1-2(4)3(5)6/h3H,1,6H2InChIKey=AXSPYWGZYZWZBK-UHFFFAOYSA-N183.6Ex 183.62(BP est) -7.76(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Cl)=C) -7.8PredN
ClC1(CI)CN111617217.434C3H5ClIN2-chloro-2-(iodomethyl)aziridineN116ClC1(CI)CN1InChI=1S/C3H5ClIN/c4-3(1-5)2-6-3/h6H,1-2H2InChIKey=GHDCHWLSHIBFEG-UHFFFAOYSA-N196.7Ex 196.71(BP est) 22.21(MP est) ----(BP exp) ----(MP exp) ClC1(CI)CN1 22.2PredN
ClC1(I)C(C)N111618217.434C3H5ClIN2-chloro-2-iodo-3-methylaziridineN116ClC1(I)C(C)N1InChI=1S/C3H5ClIN/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=BNYTXSLFUPWFHS-UHFFFAOYSA-N190.9Ex 190.85(BP est) 18.59(MP est) ----(BP exp) ----(MP exp) ClC1(I)C(C)N1 18.6PredN
ClC1(I)NCC111619217.434C3H5ClIN2-chloro-2-iodoazetidineN116ClC1(I)NCC1InChI=1S/C3H5ClIN/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=CKGHINTZMGXJBG-UHFFFAOYSA-N198.5Ex 198.54(BP est) 28.76(MP est) ----(BP exp) ----(MP exp) ClC1(I)NCC1 28.8PredN
NC(C1)(C1(Cl)I)11620217.434C3H5ClIN2-chloro-2-iodocyclopropan-1-amineN116NC(C1)(C1(Cl)I)InChI=1S/C3H5ClIN/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=SDCORWYUXZXFCX-UHFFFAOYSA-N191.6Ex 191.64(BP est) 28.74(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(Cl)I) 28.7PredN
ClC1C(CI)N111621217.434C3H5ClIN2-chloro-3-(iodomethyl)aziridineN116ClC1C(CI)N1InChI=1S/C3H5ClIN/c4-3-2(1-5)6-3/h2-3,6H,1H2InChIKey=ODPNYWXFEWAZFB-UHFFFAOYSA-N212.1Ex 212.12(BP est) 25.84(MP est) ----(BP exp) ----(MP exp) ClC1C(CI)N1 25.8PredN
IC1C(Cl)(C)N111622217.434C3H5ClIN2-chloro-3-iodo-2-methylaziridineN116IC1C(Cl)(C)N1InChI=1S/C3H5ClIN/c1-3(4)2(5)6-3/h2,6H,1H3InChIKey=STYVTRVQHQUBAB-UHFFFAOYSA-N190.9Ex 190.85(BP est) 18.59(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(C)N1 18.6PredN
ClC1NCC1I11623217.434C3H5ClIN2-chloro-3-iodoazetidineN116ClC1NCC1IInChI=1S/C3H5ClIN/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=SMWKAQLDBDGWST-UHFFFAOYSA-N213.9Ex 213.89(BP est) 25.35(MP est) ----(BP exp) ----(MP exp) ClC1NCC1I 25.4PredN
NC(C1Cl)(C1I)11624217.434C3H5ClIN2-chloro-3-iodocyclopropan-1-amineN116NC(C1Cl)(C1I)InChI=1S/C3H5ClIN/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=AJNFXZFZJPYTMP-UHFFFAOYSA-N207.2Ex 207.23(BP est) 19.23(MP est) ----(BP exp) ----(MP exp) NC(C1Cl)(C1I) 19.2PredN
NC(C(Cl)=CI)11625217.434C3H5ClIN2-chloro-3-iodoprop-2-en-1-amineN116NC(C(Cl)=CI)InChI=1S/C3H5ClIN/c4-3(1-5)2-6/h1H,2,6H2InChIKey=OEINDAIQVLXPTI-UHFFFAOYSA-N203.5Ex 203.53(BP est) 3.89(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)=CI) 3.9PredN
ClC1CC(I)N111626217.434C3H5ClIN2-chloro-4-iodoazetidineN116ClC1CC(I)N1InChI=1S/C3H5ClIN/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=HMRBKRGQBIJIEI-UHFFFAOYSA-N213.9Ex 213.89(BP est) 25.35(MP est) ----(BP exp) ----(MP exp) ClC1CC(I)N1 25.4PredN
NC(I)(C=CCl)11627217.434C3H5ClIN3-chloro-1-iodoprop-2-en-1-amineN116NC(I)(C=CCl)InChI=1S/C3H5ClIN/c4-2-1-3(5)6/h1-3H,6H2InChIKey=ZEETUPIGQOPXJB-UHFFFAOYSA-N197.0Ex 196.96(BP est) 1.46(MP est) ----(BP exp) ----(MP exp) NC(I)(C=CCl) 1.5PredN
ClC1C(I)(C)N111628217.434C3H5ClIN3-chloro-2-iodo-2-methylaziridineN116ClC1C(I)(C)N1InChI=1S/C3H5ClIN/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=YUHSUHPTXOLOTQ-UHFFFAOYSA-N201.8Ex 201.78(BP est) 29.78(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(C)N1 29.8PredN
IC1NCC1Cl11629217.434C3H5ClIN3-chloro-2-iodoazetidineN116IC1NCC1ClInChI=1S/C3H5ClIN/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=FHUGMQBOCWUCDG-UHFFFAOYSA-N213.9Ex 213.89(BP est) 25.35(MP est) ----(BP exp) ----(MP exp) IC1NCC1Cl 25.4PredN
NC(C(I)=CCl)11630217.434C3H5ClIN3-chloro-2-iodoprop-2-en-1-amineN116NC(C(I)=CCl)InChI=1S/C3H5ClIN/c4-1-3(5)2-6/h1H,2,6H2InChIKey=DREYIAZGBILTLB-UHFFFAOYSA-N203.5Ex 203.53(BP est) 3.89(MP est) ----(BP exp) ----(MP exp) NC(C(I)=CCl) 3.9PredN
ClC1(I)CNC111631217.434C3H5ClIN3-chloro-3-iodoazetidineN116ClC1(I)CNC1InChI=1S/C3H5ClIN/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=OHZYPJOQZSRARS-UHFFFAOYSA-N198.5Ex 198.54(BP est) 28.76(MP est) ----(BP exp) ----(MP exp) ClC1(I)CNC1 28.8PredN
NC(C=C(Cl)I)11632217.434C3H5ClIN3-chloro-3-iodoprop-2-en-1-amineN116NC(C=C(Cl)I)InChI=1S/C3H5ClIN/c4-3(5)1-2-6/h1H,2,6H2InChIKey=BIQXQUZKCBHBMW-UHFFFAOYSA-N203.5Ex 203.53(BP est) 3.89(MP est) ----(BP exp) ----(MP exp) NC(C=C(Cl)I) 3.9PredN
PC(Br)=CBr11634217.828C2H3Br2P(1,2-dibromovinyl)phosphaneN85PC(Br)=CBrInChI=1S/C2H3Br2P/c3-1-2(4)5/h1H,5H2InChIKey=VLPKOHNXFRZFIN-UHFFFAOYSA-N186.7Ex 186.67(BP est) -16.80(MP est) ----(BP exp) ----(MP exp) PC(Br)=CBr -16.8PredN
PC=C(Br)Br11635217.828C2H3Br2P(2,2-dibromovinyl)phosphaneN85PC=C(Br)BrInChI=1S/C2H3Br2P/c3-2(4)1-5/h1H,5H2InChIKey=BAXCIADHPCPNCW-UHFFFAOYSA-N186.7Ex 186.67(BP est) -16.80(MP est) ----(BP exp) ----(MP exp) PC=C(Br)Br -16.8PredN
BrC1(Br)CP111636217.828C2H3Br2P2,2-dibromophosphiraneN85BrC1(Br)CP1InChI=1S/C2H3Br2P/c3-2(4)1-5-2/h5H,1H2InChIKey=CJOBVBJLMBMJTA-UHFFFAOYSA-N158.3Ex 158.31(BP est) -1.06(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CP1 -1.1PredN
BrC1C(Br)P111637217.828C2H3Br2P2,3-dibromophosphiraneN85BrC1C(Br)P1InChI=1S/C2H3Br2P/c3-1-2(4)5-1/h1-2,5HInChIKey=URRYXVVDSOZWFN-UHFFFAOYSA-N163.5Ex 163.45(BP est) -13.63(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)P1 -13.6PredN
O=C(O)C(Br)Br11638217.844C2H2Br2O22,2-dibromoacetic acidN86O=C(O)C(Br)BrInChI=1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=SIEILFNCEFEENQ-UHFFFAOYSA-N242.9Ex 242.94(BP est) 53.58(MP est) ----(BP exp) 49.00(MP exp) O=C(O)C(Br)Br 49ExptY(Kladi et al. 2004)
C(C1F)(C1(Br)Br)11639217.863C3H3Br2F1,1-dibromo-2-fluorocyclopropaneN96C(C1F)(C1(Br)Br)InChI=1S/C3H3Br2F/c4-3(5)1-2(3)6/h2H,1H2InChIKey=GEYUMABEHDZEAT-UHFFFAOYSA-N141.2Ex 141.22(BP est) -11.50(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(Br)Br) -11.5PredN
C(C(F)=C(Br)Br)11640217.863C3H3Br2F1,1-dibromo-2-fluoroprop-1-eneN96C(C(F)=C(Br)Br)InChI=1S/C3H3Br2F/c1-2(6)3(4)5/h1H3InChIKey=TYFBHCISPDJCDT-UHFFFAOYSA-N150.3Ex 150.33(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(Br)Br) -44.1PredN
C(F)(C=C(Br)Br)11641217.863C3H3Br2F1,1-dibromo-3-fluoroprop-1-eneN96C(F)(C=C(Br)Br)InChI=1S/C3H3Br2F/c4-3(5)1-2-6/h1H,2H2InChIKey=RHOWEPBPCSXUPT-UHFFFAOYSA-N156.3Ex 156.31(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(Br)Br) -35.4PredN
C(C1Br)(C1(Br)F)11642217.863C3H3Br2F1,2-dibromo-1-fluorocyclopropaneN96C(C1Br)(C1(Br)F)InChI=1S/C3H3Br2F/c4-2-1-3(2,5)6/h2H,1H2InChIKey=KBFHVPIIMAUQBL-UHFFFAOYSA-N141.2Ex 141.22(BP est) -11.50(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1(Br)F) -11.5PredN
C(C(Br)=C(Br)F)11643217.863C3H3Br2F1,2-dibromo-1-fluoroprop-1-eneN96C(C(Br)=C(Br)F)InChI=1S/C3H3Br2F/c1-2(4)3(5)6/h1H3InChIKey=HTZDMGMFYGKGOH-UHFFFAOYSA-N150.3Ex 150.33(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) C(C(Br)=C(Br)F) -44.1PredN
C(Br)(C1Br)(C1F)11644217.863C3H3Br2F1,2-dibromo-3-fluorocyclopropaneN96C(Br)(C1Br)(C1F)InChI=1S/C3H3Br2F/c4-1-2(5)3(1)6/h1-3HInChIKey=INXZMVSKSXULMR-UHFFFAOYSA-N146.5Ex 146.53(BP est) -24.02(MP est) ----(BP exp) ----(MP exp) C(Br)(C1Br)(C1F) -24PredN
C(F)(C(Br)=CBr)11645217.863C3H3Br2F1,2-dibromo-3-fluoroprop-1-eneN96C(F)(C(Br)=CBr)InChI=1S/C3H3Br2F/c4-1-3(5)2-6/h1H,2H2InChIKey=VCEAENVFPBUCGB-UHFFFAOYSA-N156.3Ex 156.31(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)=CBr) -35.4PredN
C(Br)(C=C(Br)F)11646217.863C3H3Br2F1,3-dibromo-1-fluoroprop-1-eneN96C(Br)(C=C(Br)F)InChI=1S/C3H3Br2F/c4-2-1-3(5)6/h1H,2H2InChIKey=SEVOPQBNHSATBE-UHFFFAOYSA-N156.3Ex 156.31(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) C(Br)(C=C(Br)F) -35.4PredN
C(Br)(C(F)=CBr)11647217.863C3H3Br2F1,3-dibromo-2-fluoroprop-1-eneN96C(Br)(C(F)=CBr)InChI=1S/C3H3Br2F/c4-1-3(6)2-5/h1H,2H2InChIKey=HUGYJCDTWKMICK-UHFFFAOYSA-N142.5Ex 156.31(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)=CBr) -35.4PredN
C(Br)(F)(C=CBr)11648217.863C3H3Br2F1,3-dibromo-3-fluoroprop-1-eneN96C(Br)(F)(C=CBr)InChI=1S/C3H3Br2F/c4-2-1-3(5)6/h1-3HInChIKey=KSWAWZFNGJFNIW-UHFFFAOYSA-N149.1Ex 149.07(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C=CBr) -38.1PredN
C(Br)(C(Br)=CF)11649217.863C3H3Br2F2,3-dibromo-1-fluoroprop-1-eneN96C(Br)(C(Br)=CF)InChI=1S/C3H3Br2F/c4-1-3(5)2-6/h2H,1H2InChIKey=IJDIDIKLXMPRJE-UHFFFAOYSA-N156.3Ex 156.31(BP est) -35.42(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)=CF) -35.4PredN
C(Br)(F)(C(Br)=C)11650217.863C3H3Br2F2,3-dibromo-3-fluoroprop-1-eneN96C(Br)(F)(C(Br)=C)InChI=1S/C3H3Br2F/c1-2(4)3(5)6/h3H,1H2InChIKey=ZFRNPIKNYVGUSG-UHFFFAOYSA-N134.4Ex 134.38(BP est) -47.66(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C(Br)=C) -47.7PredN
C(Br)(Br)(C=CF)11651217.863C3H3Br2F3,3-dibromo-1-fluoroprop-1-eneN96C(Br)(Br)(C=CF)InChI=1S/C3H3Br2F/c4-3(5)1-2-6/h1-3HInChIKey=PAEAVGYRWGNQTK-UHFFFAOYSA-N149.1Ex 149.07(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C=CF) -38.1PredN
C(Br)(Br)(C(F)=C)11652217.863C3H3Br2F3,3-dibromo-2-fluoroprop-1-eneN96C(Br)(Br)(C(F)=C)InChI=1S/C3H3Br2F/c1-2(6)3(4)5/h3H,1H2InChIKey=HWXRELKRXZLESD-UHFFFAOYSA-N134.4Ex 134.38(BP est) -47.66(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C(F)=C) -47.7PredN
C(Br)(Br)(F)(C=C)11653217.863C3H3Br2F3,3-dibromo-3-fluoroprop-1-eneN96C(Br)(Br)(F)(C=C)InChI=1S/C3H3Br2F/c1-2-3(4,5)6/h2H,1H2InChIKey=MEUYBDUDILFYFS-UHFFFAOYSA-N131.6Ex 131.57(BP est) -32.79(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(F)(C=C) -32.8PredN
C(Br)(Br)OC(C)11654217.888C3H6Br2O(dibromomethoxy)ethaneN126C(Br)(Br)OC(C)InChI=1S/C3H6Br2O/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=UDLTVMJGBWXDCE-UHFFFAOYSA-N162.9Ex 162.88(BP est) -20.66(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)OC(C) -20.7PredN
COC(Br)(C)Br11655217.888C3H6Br2O1,1-dibromo-1-methoxyethaneN126COC(Br)(C)BrInChI=1S/C3H6Br2O/c1-3(4,5)6-2/h1-2H3InChIKey=DIEJQXNIRYSWKO-UHFFFAOYSA-N154.3Ex 154.27(BP est) -14.46(MP est) ----(BP exp) ----(MP exp) COC(Br)(C)Br -14.5PredN
COC(C(Br)Br)11656217.888C3H6Br2O1,1-dibromo-2-methoxyethaneN126COC(C(Br)Br)InChI=1S/C3H6Br2O/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=UCOYUVRBBLCFAG-UHFFFAOYSA-N162.9Ex 162.88(BP est) -20.66(MP est) ----(BP exp) ----(MP exp) COC(C(Br)Br) -20.7PredN
OC(CC)(Br)(Br)11657217.888C3H6Br2O1,1-dibromopropan-1-olN126OC(CC)(Br)(Br)InChI=1S/C3H6Br2O/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=LIHMQSPBDBGMJW-UHFFFAOYSA-N219.0Ex 194.55(BP est) 16.59(MP est) ----(BP exp) ----(MP exp) OC(CC)(Br)(Br) 16.6PredN
OC(C)(C(Br)Br)11658217.888C3H6Br2O1,1-dibromopropan-2-olN126OC(C)(C(Br)Br)InChI=1S/C3H6Br2O/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=IHGHFMVCCDYILJ-UHFFFAOYSA-N199.8Ex 199.77(BP est) 1.91(MP est) ----(BP exp) ----(MP exp) OC(C)(C(Br)Br) 1.9PredY(Kladi et al. 2004)
COC(Br)(CBr)11659217.888C3H6Br2O1,2-dibromo-1-methoxyethaneN126COC(Br)(CBr)InChI=1S/C3H6Br2O/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=ILVZHVHXXQKJNU-UHFFFAOYSA-N162.9Ex 162.88(BP est) -20.66(MP est) ----(BP exp) ----(MP exp) COC(Br)(CBr) -20.7PredN
OC(C(Br)C)(Br)11660217.888C3H6Br2O1,2-dibromopropan-1-olN126OC(C(Br)C)(Br)InChI=1S/C3H6Br2O/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=QRRZOBWADKAXKF-UHFFFAOYSA-N199.8Ex 199.77(BP est) 1.91(MP est) ----(BP exp) ----(MP exp) OC(C(Br)C)(Br) 1.9PredN
OC(C)(Br)(CBr)11661217.888C3H6Br2O1,2-dibromopropan-2-olN126OC(C)(Br)(CBr)InChI=1S/C3H6Br2O/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=XXDPVLXGNHEIPT-UHFFFAOYSA-N194.6Ex 194.55(BP est) 16.59(MP est) ----(BP exp) ----(MP exp) OC(C)(Br)(CBr) 16.6PredN
OC(CBr)CBr11662217.888C3H6Br2O1,3-dibromopropan-2-olN126OC(CBr)CBrInChI=1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=KIHQZLPHVZKELA-UHFFFAOYSA-N219.0Ex 211.61(BP est) 12.86(MP est) ----(BP exp) ----(MP exp) OC(CBr)CBr 12.9PredY(Kladi et al. 2004)
C(Br)OC(Br)(C)11663217.888C3H6Br2O1-bromo-1-(bromomethoxy)ethaneN126C(Br)OC(Br)(C)InChI=1S/C3H6Br2O/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=REEHVBANYSIWBE-UHFFFAOYSA-N162.9Ex 162.88(BP est) -20.66(MP est) ----(BP exp) ----(MP exp) C(Br)OC(Br)(C) -20.7PredN
C(Br)OC(CBr)11664217.888C3H6Br2O1-bromo-2-(bromomethoxy)ethaneN126C(Br)OC(CBr)InChI=1S/C3H6Br2O/c4-1-2-6-3-5/h1-3H2InChIKey=QDISMCYXKCWWPN-UHFFFAOYSA-N175.7Ex 175.69(BP est) -9.42(MP est) ----(BP exp) ----(MP exp) C(Br)OC(CBr) -9.4PredN
OC(C(Br)(Br)C)11665217.888C3H6Br2O2,2-dibromopropan-1-olN126OC(C(Br)(Br)C)InChI=1S/C3H6Br2O/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=UYEQIMQEZRVKCR-UHFFFAOYSA-N210.2Ex 210.20(BP est) 21.16(MP est) ----(BP exp) ----(MP exp) OC(C(Br)(Br)C) 21.2PredN
NNC(Br)(Br)(C)11666217.892C2H6Br2N2(1,1-dibromoethyl)hydrazineN126NNC(Br)(Br)(C)InChI=1S/C2H6Br2N2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=LWFAHYPPWKXCJN-UHFFFAOYSA-N205.8Ex 205.82(BP est) 29.16(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Br)(C) 29.2PredN
NNC(Br)(CBr)11667217.892C2H6Br2N2(1,2-dibromoethyl)hydrazineN126NNC(Br)(CBr)InChI=1S/C2H6Br2N2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=MPBCSURFZMYTLW-UHFFFAOYSA-N213.5Ex 213.54(BP est) 33.90(MP est) ----(BP exp) ----(MP exp) NNC(Br)(CBr) 33.9PredN
NNC(C(Br)Br)11668217.892C2H6Br2N2(2,2-dibromoethyl)hydrazineN126NNC(C(Br)Br)InChI=1S/C2H6Br2N2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=SCVRUJLBEGWCDW-UHFFFAOYSA-N213.5Ex 213.54(BP est) 33.90(MP est) ----(BP exp) ----(MP exp) NNC(C(Br)Br) 33.9PredN
CN(C(Br)(Br))N11669217.892C2H6Br2N21-(dibromomethyl)-1-methylhydrazineN126CN(C(Br)(Br))NInChI=1S/C2H6Br2N2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=QLTRTPJHTHPJBT-UHFFFAOYSA-N195.9Ex 195.86(BP est) 20.29(MP est) ----(BP exp) ----(MP exp) CN(C(Br)(Br))N 20.3PredN
CNNC(Br)(Br)11670217.892C2H6Br2N21-(dibromomethyl)-2-methylhydrazineN126CNNC(Br)(Br)InChI=1S/C2H6Br2N2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=HMZKSHINCIMCRQ-UHFFFAOYSA-N198.2Ex 198.18(BP est) 25.56(MP est) ----(BP exp) ----(MP exp) CNNC(Br)(Br) 25.6PredN
C(Br)N(C(Br))N11671217.892C2H6Br2N21,1-bis(bromomethyl)hydrazineN126C(Br)N(C(Br))NInChI=1S/C2H6Br2N2/c3-1-6(5)2-4/h1-2,5H2InChIKey=MKBHIZOTAWUVIY-UHFFFAOYSA-N207.8Ex 207.81(BP est) 29.94(MP est) ----(BP exp) ----(MP exp) C(Br)N(C(Br))N 29.9PredN
C(Br)NNC(Br)11672217.892C2H6Br2N21,2-bis(bromomethyl)hydrazineN126C(Br)NNC(Br)InChI=1S/C2H6Br2N2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=KUTOPMZFTNLHKX-UHFFFAOYSA-N210.1Ex 210.07(BP est) 27.35(MP est) ----(BP exp) ----(MP exp) C(Br)NNC(Br) 27.4PredN
BrC1(Br)CS111673217.906C2H2Br2S2,2-dibromothiiraneN75BrC1(Br)CS1InChI=1S/C2H2Br2S/c3-2(4)1-5-2/h1H2InChIKey=SSULZEDNTDXHJL-UHFFFAOYSA-N183.2Ex 183.21(BP est) 14.49(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CS1 14.5PredN
BrC1C(Br)S111674217.906C2H2Br2S2,3-dibromothiiraneN75BrC1C(Br)S1InChI=1S/C2H2Br2S/c3-1-2(4)5-1/h1-2HInChIKey=LAKHGDDCMXAJJN-UHFFFAOYSA-N188.1Ex 188.09(BP est) 23.03(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)S1 23PredN
O=PC(F)=CI11675217.906C2HFIOP(1-fluoro-2-iodovinyl)(oxo)phosphaneN76O=PC(F)=CIInChI=1S/C2HFIOP/c3-2(1-4)6-5/h1HInChIKey=SORZBAGJBVFBPF-UHFFFAOYSA-N192.9Ex 192.86(BP est) -27.96(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CI -28PredN
O=PC(I)=CF11676217.906C2HFIOP(2-fluoro-1-iodovinyl)(oxo)phosphaneN76O=PC(I)=CFInChI=1S/C2HFIOP/c3-1-2(4)6-5/h1HInChIKey=IZLFEVOONVITHA-UHFFFAOYSA-N192.9Ex 192.86(BP est) -27.96(MP est) ----(BP exp) ----(MP exp) O=PC(I)=CF -28PredN
O=PC=C(F)I11677217.906C2HFIOP(2-fluoro-2-iodovinyl)(oxo)phosphaneN76O=PC=C(F)IInChI=1S/C2HFIOP/c3-2(4)1-6-5/h1HInChIKey=HCYFYXWYODJGHI-UHFFFAOYSA-N192.9Ex 192.86(BP est) -27.96(MP est) ----(BP exp) ----(MP exp) O=PC=C(F)I -28PredN
O=P(C(I)=C)O11678217.93C2H4IO2P(1-iodovinyl)phosphinic acidN106O=P(C(I)=C)OInChI=1S/C2H4IO2P/c1-2(3)6(4)5/h6H,1H2,(H,4,5)InChIKey=ORUDZTWZVUAPGP-UHFFFAOYSA-N265.0Ex 265.02(BP est) 16.69(MP est) ----(BP exp) ----(MP exp) O=P(C(I)=C)O 16.7PredN
O=P(C=CI)O11679217.93C2H4IO2P(2-iodovinyl)phosphinic acidN106O=P(C=CI)OInChI=1S/C2H4IO2P/c3-1-2-6(4)5/h1-2,6H,(H,4,5)InChIKey=QLUIWNQJCQMOHD-UHFFFAOYSA-N275.8Ex 275.77(BP est) 25.15(MP est) ----(BP exp) ----(MP exp) O=P(C=CI)O 25.2PredN
O=P1(O)C(I)C111680217.93C2H4IO2P1-hydroxy-2-iodophosphirane 1-oxideN106O=P1(O)C(I)C1InChI=1S/C2H4IO2P/c3-2-1-6(2,4)5/h2H,1H2,(H,4,5)InChIKey=NXKOJPVFBJBRGV-UHFFFAOYSA-N270.5Ex 270.54(BP est) 28.71(MP est) ----(BP exp) ----(MP exp) O=P1(O)C(I)C1 28.7PredN
PC(C=C)(F)I11681217.95C3H5FIP(1-fluoro-1-iodoallyl)phosphaneN116PC(C=C)(F)IInChI=1S/C3H5FIP/c1-2-3(4,5)6/h2H,1,6H2InChIKey=KTMZPNIJRDCDRU-UHFFFAOYSA-N148.5Ex 148.48(BP est) -42.94(MP est) ----(BP exp) ----(MP exp) PC(C=C)(F)I -42.9PredN
PC(F)C(I)=C11682217.95C3H5FIP(1-fluoro-2-iodoallyl)phosphaneN116PC(F)C(I)=CInChI=1S/C3H5FIP/c1-2(5)3(4)6/h3H,1,6H2InChIKey=FKZCLCLKEJTPSH-UHFFFAOYSA-N151.2Ex 151.20(BP est) -57.83(MP est) ----(BP exp) ----(MP exp) PC(F)C(I)=C -57.8PredN
CPC(F)=CI11683217.95C3H5FIP(1-fluoro-2-iodovinyl)(methyl)phosphaneN116CPC(F)=CIInChI=1S/C3H5FIP/c1-6-3(4)2-5/h2,6H,1H3InChIKey=YNPXMFKRXPHBSG-UHFFFAOYSA-N154.0Ex 153.97(BP est) -59.37(MP est) ----(BP exp) ----(MP exp) CPC(F)=CI -59.4PredN
PC(F)C=CI11684217.95C3H5FIP(1-fluoro-3-iodoallyl)phosphaneN116PC(F)C=CIInChI=1S/C3H5FIP/c4-3(6)1-2-5/h1-3H,6H2InChIKey=BOJGPBVRTYDJKL-UHFFFAOYSA-N165.4Ex 165.44(BP est) -48.36(MP est) ----(BP exp) ----(MP exp) PC(F)C=CI -48.4PredN
ICPC(F)=C11685217.95C3H5FIP(1-fluorovinyl)(iodomethyl)phosphaneN116ICPC(F)=CInChI=1S/C3H5FIP/c1-3(4)6-2-5/h6H,1-2H2InChIKey=UNQPWJXUPJSWFF-UHFFFAOYSA-N145.5Ex 145.53(BP est) -60.17(MP est) ----(BP exp) ----(MP exp) ICPC(F)=C -60.2PredN
PC(I)C(F)=C11686217.95C3H5FIP(2-fluoro-1-iodoallyl)phosphaneN116PC(I)C(F)=CInChI=1S/C3H5FIP/c1-2(4)3(5)6/h3H,1,6H2InChIKey=PCLFGXDXCGSNSK-UHFFFAOYSA-N151.2Ex 151.20(BP est) -57.83(MP est) ----(BP exp) ----(MP exp) PC(I)C(F)=C -57.8PredN
CPC(I)=CF11687217.95C3H5FIP(2-fluoro-1-iodovinyl)(methyl)phosphaneN116CPC(I)=CFInChI=1S/C3H5FIP/c1-6-3(5)2-4/h2,6H,1H3InChIKey=BFAGIXJGXAFDJM-UHFFFAOYSA-N154.0Ex 153.97(BP est) -59.37(MP est) ----(BP exp) ----(MP exp) CPC(I)=CF -59.4PredN
CPC=C(F)I11688217.95C3H5FIP(2-fluoro-2-iodovinyl)(methyl)phosphaneN116CPC=C(F)IInChI=1S/C3H5FIP/c1-6-2-3(4)5/h2,6H,1H3InChIKey=OKHLSCSNAXCADP-UHFFFAOYSA-N154.0Ex 153.97(BP est) -59.37(MP est) ----(BP exp) ----(MP exp) CPC=C(F)I -59.4PredN
PCC(F)=CI11689217.95C3H5FIP(2-fluoro-3-iodoallyl)phosphaneN116PCC(F)=CIInChI=1S/C3H5FIP/c4-3(1-5)2-6/h1H,2,6H2InChIKey=LRIXTPYMQIWTNU-UHFFFAOYSA-N172.5Ex 172.46(BP est) -45.79(MP est) ----(BP exp) ----(MP exp) PCC(F)=CI -45.8PredN
ICPC=CF11690217.95C3H5FIP(2-fluorovinyl)(iodomethyl)phosphaneN116ICPC=CFInChI=1S/C3H5FIP/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=OIHAHILLYRLVNW-UHFFFAOYSA-N159.9Ex 159.92(BP est) -50.65(MP est) ----(BP exp) ----(MP exp) ICPC=CF -50.7PredN
PC(I)C=CF11691217.95C3H5FIP(3-fluoro-1-iodoallyl)phosphaneN116PC(I)C=CFInChI=1S/C3H5FIP/c4-2-1-3(5)6/h1-3H,6H2InChIKey=MELBNVZDVVMRBB-UHFFFAOYSA-N165.4Ex 165.44(BP est) -48.36(MP est) ----(BP exp) ----(MP exp) PC(I)C=CF -48.4PredN
PCC(I)=CF11692217.95C3H5FIP(3-fluoro-2-iodoallyl)phosphaneN116PCC(I)=CFInChI=1S/C3H5FIP/c4-1-3(5)2-6/h1H,2,6H2InChIKey=WSMWMAWGLYEORU-UHFFFAOYSA-N172.5Ex 172.46(BP est) -45.79(MP est) ----(BP exp) ----(MP exp) PCC(I)=CF -45.8PredN
PCC=C(F)I11693217.95C3H5FIP(3-fluoro-3-iodoallyl)phosphaneN116PCC=C(F)IInChI=1S/C3H5FIP/c4-3(5)1-2-6/h1H,2,6H2InChIKey=SMDSEAXZDYGGGU-UHFFFAOYSA-N172.5Ex 172.46(BP est) -45.79(MP est) ----(BP exp) ----(MP exp) PCC=C(F)I -45.8PredN
FC(PC=C)I11694217.95C3H5FIP(fluoroiodomethyl)(vinyl)phosphaneN116FC(PC=C)IInChI=1S/C3H5FIP/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=IBLARUILBPXUJW-UHFFFAOYSA-N138.1Ex 138.14(BP est) -62.85(MP est) ----(BP exp) ----(MP exp) FC(PC=C)I -62.9PredN
FCPC(I)=C11695217.95C3H5FIP(fluoromethyl)(1-iodovinyl)phosphaneN116FCPC(I)=CInChI=1S/C3H5FIP/c1-3(5)6-2-4/h6H,1-2H2InChIKey=CDKUNIORHJHAHZ-UHFFFAOYSA-N145.5Ex 145.53(BP est) -60.17(MP est) ----(BP exp) ----(MP exp) FCPC(I)=C -60.2PredN
FCPC=CI11696217.95C3H5FIP(fluoromethyl)(2-iodovinyl)phosphaneN116FCPC=CIInChI=1S/C3H5FIP/c4-3-6-2-1-5/h1-2,6H,3H2InChIKey=QWZRAWYUMIRTGN-UHFFFAOYSA-N159.9Ex 159.92(BP est) -50.65(MP est) ----(BP exp) ----(MP exp) FCPC=CI -50.7PredN
FC(P1CC1)I11697217.95C3H5FIP1-(fluoroiodomethyl)phosphiraneN116FC(P1CC1)IInChI=1S/C3H5FIP/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=QELWSRJTBHVAPI-UHFFFAOYSA-N148.9Ex 148.92(BP est) -46.66(MP est) ----(BP exp) ----(MP exp) FC(P1CC1)I -46.7PredN
FCP1C(I)C111698217.95C3H5FIP1-(fluoromethyl)-2-iodophosphiraneN116FCP1C(I)C1InChI=1S/C3H5FIP/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=CGGSONLEALDYEQ-UHFFFAOYSA-N155.8Ex 155.80(BP est) -39.27(MP est) ----(BP exp) ----(MP exp) FCP1C(I)C1 -39.3PredN
ICP1C(F)C111699217.95C3H5FIP2-fluoro-1-(iodomethyl)phosphiraneN116ICP1C(F)C1InChI=1S/C3H5FIP/c4-3-1-6(3)2-5/h3H,1-2H2InChIKey=VNWCYLNAHGJBSH-UHFFFAOYSA-N155.8Ex 155.80(BP est) -39.27(MP est) ----(BP exp) ----(MP exp) ICP1C(F)C1 -39.3PredN
CP1C(I)(F)C111700217.95C3H5FIP2-fluoro-2-iodo-1-methylphosphiraneN116CP1C(I)(F)C1InChI=1S/C3H5FIP/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=LHGSMELDRDKGSA-UHFFFAOYSA-N144.2Ex 144.16(BP est) -30.72(MP est) ----(BP exp) ----(MP exp) CP1C(I)(F)C1 -30.7PredN
FC1(I)CCP111701217.95C3H5FIP2-fluoro-2-iodophosphetaneN116FC1(I)CCP1InChI=1S/C3H5FIP/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=YUMHZWWYQQOOFI-UHFFFAOYSA-N145.3Ex 145.31(BP est) -31.46(MP est) ----(BP exp) ----(MP exp) FC1(I)CCP1 -31.5PredN
CP1C(F)C1I11702217.95C3H5FIP2-fluoro-3-iodo-1-methylphosphiraneN116CP1C(F)C1IInChI=1S/C3H5FIP/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=VXJOAMPQJUSMIT-UHFFFAOYSA-N149.4Ex 149.43(BP est) -43.25(MP est) ----(BP exp) ----(MP exp) CP1C(F)C1I -43.3PredN
FC1C(I)CP111703217.95C3H5FIP2-fluoro-3-iodophosphetaneN116FC1C(I)CP1InChI=1S/C3H5FIP/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=KMCOLBOKZCMIIT-UHFFFAOYSA-N150.6Ex 150.57(BP est) -43.99(MP est) ----(BP exp) ----(MP exp) FC1C(I)CP1 -44PredN
IC1CC(F)P111704217.95C3H5FIP2-fluoro-4-iodophosphetaneN116IC1CC(F)P1InChI=1S/C3H5FIP/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=KSBVLELQGDKQPQ-UHFFFAOYSA-N150.6Ex 150.57(BP est) -43.99(MP est) ----(BP exp) ----(MP exp) IC1CC(F)P1 -44PredN
IC1C(F)CP111705217.95C3H5FIP3-fluoro-2-iodophosphetaneN116IC1C(F)CP1InChI=1S/C3H5FIP/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=BBXCIMORKYCDCF-UHFFFAOYSA-N150.6Ex 150.57(BP est) -43.99(MP est) ----(BP exp) ----(MP exp) IC1C(F)CP1 -44PredN
FC1(I)CPC111706217.95C3H5FIP3-fluoro-3-iodophosphetaneN116FC1(I)CPC1InChI=1S/C3H5FIP/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=ORXSTQVFMOFWOQ-UHFFFAOYSA-N145.3Ex 145.31(BP est) -31.46(MP est) ----(BP exp) ----(MP exp) FC1(I)CPC1 -31.5PredN
IC(POC)C11707217.974C3H8IOP(1-iodoethyl)(methoxy)phosphaneN146IC(POC)CInChI=1S/C3H8IOP/c1-3(4)6-5-2/h3,6H,1-2H3InChIKey=ZGJPFWWFSPYELR-UHFFFAOYSA-N160.6Ex 160.57(BP est) -44.60(MP est) ----(BP exp) ----(MP exp) IC(POC)C -44.6PredN
O=P(C)C(I)C11708217.974C3H8IOP(1-iodoethyl)(methyl)phosphine oxideN146O=P(C)C(I)CInChI=1S/C3H8IOP/c1-3(4)6(2)5/h3,6H,1-2H3InChIKey=LFHWWWSEPSGIHF-UHFFFAOYSA-N196.3Ex 196.33(BP est) -27.78(MP est) ----(BP exp) ----(MP exp) O=P(C)C(I)C -27.8PredN
ICCPOC11709217.974C3H8IOP(2-iodoethyl)(methoxy)phosphaneN146ICCPOCInChI=1S/C3H8IOP/c1-5-6-3-2-4/h6H,2-3H2,1H3InChIKey=NIAVFUGWLMSZKD-UHFFFAOYSA-N173.4Ex 173.44(BP est) -33.34(MP est) ----(BP exp) ----(MP exp) ICCPOC -33.3PredN
O=P(C)CCI11710217.974C3H8IOP(2-iodoethyl)(methyl)phosphine oxideN146O=P(C)CCIInChI=1S/C3H8IOP/c1-6(5)3-2-4/h6H,2-3H2,1H3InChIKey=XJEMWIMBMOUBSW-UHFFFAOYSA-N208.3Ex 208.26(BP est) -16.79(MP est) ----(BP exp) ----(MP exp) O=P(C)CCI -16.8PredN
CP(CI)OC11711217.974C3H8IOP(iodomethyl)(methoxy)(methyl)phosphaneN146CP(CI)OCInChI=1S/C3H8IOP/c1-5-6(2)3-4/h3H2,1-2H3InChIKey=PSAFVMBTHFKEGV-UHFFFAOYSA-N174.3Ex 174.29(BP est) -33.78(MP est) ----(BP exp) ----(MP exp) CP(CI)OC -33.8PredN
O=P(CI)(C)C11712217.974C3H8IOP(iodomethyl)dimethylphosphine oxideN146O=P(CI)(C)CInChI=1S/C3H8IOP/c1-6(2,5)3-4/h3H2,1-2H3InChIKey=MSVQAWTWBISPAE-UHFFFAOYSA-N206.5Ex 206.45(BP est) -25.51(MP est) ----(BP exp) ----(MP exp) O=P(CI)(C)C -25.5PredN
O=P(CI)CC11714217.974C3H8IOPethyl(iodomethyl)phosphine oxideN146O=P(CI)CCInChI=1S/C3H8IOP/c1-2-6(5)3-4/h6H,2-3H2,1H3InChIKey=PXQFHVORQDDWBZ-UHFFFAOYSA-N208.3Ex 208.26(BP est) -16.79(MP est) ----(BP exp) ----(MP exp) O=P(CI)CC -16.8PredN
CSC(F)=C(I)11720218.028C3H4FIS(1-fluoro-2-iodovinyl)(methyl)sulfaneN106CSC(F)=C(I)InChI=1S/C3H4FIS/c1-6-3(4)2-5/h2H,1H3InChIKey=WREUMHYAHUESEJ-UHFFFAOYSA-N179.5Ex 179.45(BP est) -42.23(MP est) ----(BP exp) ----(MP exp) CSC(F)=C(I) -42.2PredN
C(I)SC(F)=C11721218.028C3H4FIS(1-fluorovinyl)(iodomethyl)sulfaneN106C(I)SC(F)=CInChI=1S/C3H4FIS/c1-3(4)6-2-5/h1-2H2InChIKey=YEMXFMKBNBINSQ-UHFFFAOYSA-N171.4Ex 171.41(BP est) -42.92(MP est) ----(BP exp) ----(MP exp) C(I)SC(F)=C -42.9PredN
CSC(I)=C(F)11722218.028C3H4FIS(2-fluoro-1-iodovinyl)(methyl)sulfaneN106CSC(I)=C(F)InChI=1S/C3H4FIS/c1-6-3(5)2-4/h2H,1H3InChIKey=XSTYRFYYGZHOCR-UHFFFAOYSA-N179.5Ex 179.45(BP est) -42.23(MP est) ----(BP exp) ----(MP exp) CSC(I)=C(F) -42.2PredN
CSC=C(F)(I)11723218.028C3H4FIS(2-fluoro-2-iodovinyl)(methyl)sulfaneN106CSC=C(F)(I)InChI=1S/C3H4FIS/c1-6-2-3(4)5/h2H,1H3InChIKey=RYPRFXIQZNTIQU-UHFFFAOYSA-N179.5Ex 179.45(BP est) -42.23(MP est) ----(BP exp) ----(MP exp) CSC=C(F)(I) -42.2PredN
C(I)SC=C(F)11724218.028C3H4FIS(2-fluorovinyl)(iodomethyl)sulfaneN106C(I)SC=C(F)InChI=1S/C3H4FIS/c4-1-2-6-3-5/h1-2H,3H2InChIKey=AJPTYMIJDDUEHX-UHFFFAOYSA-N185.1Ex 185.10(BP est) -33.60(MP est) ----(BP exp) ----(MP exp) C(I)SC=C(F) -33.6PredN
C(F)(I)SC=C11725218.028C3H4FIS(fluoroiodomethyl)(vinyl)sulfaneN106C(F)(I)SC=CInChI=1S/C3H4FIS/c1-2-6-3(4)5/h2-3H,1H2InChIKey=XRKNOIVDEOVBIK-UHFFFAOYSA-N164.4Ex 164.38(BP est) -45.49(MP est) ----(BP exp) ----(MP exp) C(F)(I)SC=C -45.5PredN
C(F)SC(I)=C11726218.028C3H4FIS(fluoromethyl)(1-iodovinyl)sulfaneN106C(F)SC(I)=CInChI=1S/C3H4FIS/c1-3(5)6-2-4/h1-2H2InChIKey=NIHYNXRGEIUOMW-UHFFFAOYSA-N171.4Ex 171.41(BP est) -42.92(MP est) ----(BP exp) ----(MP exp) C(F)SC(I)=C -42.9PredN
C(F)SC=C(I)11727218.028C3H4FIS(fluoromethyl)(2-iodovinyl)sulfaneN106C(F)SC=C(I)InChI=1S/C3H4FIS/c4-3-6-2-1-5/h1-2H,3H2InChIKey=PKADJSUWQUDGCJ-UHFFFAOYSA-N185.1Ex 185.10(BP est) -33.60(MP est) ----(BP exp) ----(MP exp) C(F)SC=C(I) -33.6PredN
SC(F)(I)(C=C)11728218.028C3H4FIS1-fluoro-1-iodoprop-2-ene-1-thiolN106SC(F)(I)(C=C)InChI=1S/C3H4FIS/c1-2-3(4,5)6/h2,6H,1H2InChIKey=JETGCRNFZUVFKQ-UHFFFAOYSA-N168.7Ex 168.73(BP est) -34.48(MP est) ----(BP exp) ----(MP exp) SC(F)(I)(C=C) -34.5PredN
SC(F)(C1)(C1I)11729218.028C3H4FIS1-fluoro-2-iodocyclopropane-1-thiolN106SC(F)(C1)(C1I)InChI=1S/C3H4FIS/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=FRISYRIDEDYOHR-UHFFFAOYSA-N177.7Ex 177.72(BP est) -13.38(MP est) ----(BP exp) ----(MP exp) SC(F)(C1)(C1I) -13.4PredN
SC(F)(C(I)=C)11730218.028C3H4FIS1-fluoro-2-iodoprop-2-ene-1-thiolN106SC(F)(C(I)=C)InChI=1S/C3H4FIS/c1-2(5)3(4)6/h3,6H,1H2InChIKey=RKHARYNCHPFYIC-UHFFFAOYSA-N171.4Ex 171.35(BP est) -49.41(MP est) ----(BP exp) ----(MP exp) SC(F)(C(I)=C) -49.4PredN
SC(F)(C=CI)11731218.028C3H4FIS1-fluoro-3-iodoprop-2-ene-1-thiolN106SC(F)(C=CI)InChI=1S/C3H4FIS/c4-3(6)1-2-5/h1-3,6HInChIKey=NNHNPYUXMABLPI-UHFFFAOYSA-N185.0Ex 185.04(BP est) -40.09(MP est) ----(BP exp) ----(MP exp) SC(F)(C=CI) -40.1PredN
FC(I)C1CS111732218.028C3H4FIS2-(fluoroiodomethyl)thiiraneN106FC(I)C1CS1InChI=1S/C3H4FIS/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=JUJUFAFYOCIRGG-UHFFFAOYSA-N167.3Ex 167.29(BP est) -13.27(MP est) ----(BP exp) ----(MP exp) FC(I)C1CS1 -13.3PredN
IC1(CF)CS111733218.028C3H4FIS2-(fluoromethyl)-2-iodothiiraneN106IC1(CF)CS1InChI=1S/C3H4FIS/c4-1-3(5)2-6-3/h1-2H2InChIKey=DUPCNJROYWSRGT-UHFFFAOYSA-N168.9Ex 168.89(BP est) 6.65(MP est) ----(BP exp) ----(MP exp) IC1(CF)CS1 6.7PredN
IC1C(CF)S111734218.028C3H4FIS2-(fluoromethyl)-3-iodothiiraneN106IC1C(CF)S1InChI=1S/C3H4FIS/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=KSWJJJXLFPEMHT-UHFFFAOYSA-N173.9Ex 173.92(BP est) -5.95(MP est) ----(BP exp) ----(MP exp) IC1C(CF)S1 -6PredN
SC(I)(C1)(C1F)11735218.028C3H4FIS2-fluoro-1-iodocyclopropane-1-thiolN106SC(I)(C1)(C1F)InChI=1S/C3H4FIS/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=XGBGKKDSIMYRMU-UHFFFAOYSA-N177.7Ex 177.72(BP est) -13.38(MP est) ----(BP exp) ----(MP exp) SC(I)(C1)(C1F) -13.4PredN
SC(I)(C(F)=C)11736218.028C3H4FIS2-fluoro-1-iodoprop-2-ene-1-thiolN106SC(I)(C(F)=C)InChI=1S/C3H4FIS/c1-2(4)3(5)6/h3,6H,1H2InChIKey=LMFICRVNBTWSBN-UHFFFAOYSA-N171.4Ex 171.35(BP est) -49.41(MP est) ----(BP exp) ----(MP exp) SC(I)(C(F)=C) -49.4PredN
FC1(CI)CS111737218.028C3H4FIS2-fluoro-2-(iodomethyl)thiiraneN106FC1(CI)CS1InChI=1S/C3H4FIS/c4-3(1-5)2-6-3/h1-2H2InChIKey=RREIGFRARFFWNL-UHFFFAOYSA-N168.9Ex 168.89(BP est) 6.65(MP est) ----(BP exp) ----(MP exp) FC1(CI)CS1 6.7PredN
FC1(I)C(C)S111738218.028C3H4FIS2-fluoro-2-iodo-3-methylthiiraneN106FC1(I)C(C)S1InChI=1S/C3H4FIS/c1-2-3(4,5)6-2/h2H,1H3InChIKey=UHPUPAUWQQCLMF-UHFFFAOYSA-N162.7Ex 162.68(BP est) 2.72(MP est) ----(BP exp) ----(MP exp) FC1(I)C(C)S1 2.7PredN
SC(C1)(C1(F)I)11739218.028C3H4FIS2-fluoro-2-iodocyclopropane-1-thiolN106SC(C1)(C1(F)I)InChI=1S/C3H4FIS/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=FEKMWNMQRJKFQH-UHFFFAOYSA-N177.7Ex 177.72(BP est) -13.38(MP est) ----(BP exp) ----(MP exp) SC(C1)(C1(F)I) -13.4PredN
FC1(I)SCC111740218.028C3H4FIS2-fluoro-2-iodothietaneN106FC1(I)SCC1InChI=1S/C3H4FIS/c4-3(5)1-2-6-3/h1-2H2InChIKey=DESHFRSMAYZHMS-UHFFFAOYSA-N170.8Ex 170.83(BP est) 5.46(MP est) ----(BP exp) ----(MP exp) FC1(I)SCC1 5.5PredN
FC1C(CI)S111741218.028C3H4FIS2-fluoro-3-(iodomethyl)thiiraneN106FC1C(CI)S1InChI=1S/C3H4FIS/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=GFFPBLYVBLUUCN-UHFFFAOYSA-N173.9Ex 173.92(BP est) -5.95(MP est) ----(BP exp) ----(MP exp) FC1C(CI)S1 -6PredN
IC1C(F)(C)S111742218.028C3H4FIS2-fluoro-3-iodo-2-methylthiiraneN106IC1C(F)(C)S1InChI=1S/C3H4FIS/c1-3(4)2(5)6-3/h2H,1H3InChIKey=LBCRFISGYQCNCO-UHFFFAOYSA-N162.7Ex 162.68(BP est) 2.72(MP est) ----(BP exp) ----(MP exp) IC1C(F)(C)S1 2.7PredN
SC(C1I)(C1F)11743218.028C3H4FIS2-fluoro-3-iodocyclopropane-1-thiolN106SC(C1I)(C1F)InChI=1S/C3H4FIS/c4-1-2(5)3(1)6/h1-3,6HInChIKey=PLZYIPLMCDJEJF-UHFFFAOYSA-N182.7Ex 182.67(BP est) -26.01(MP est) ----(BP exp) ----(MP exp) SC(C1I)(C1F) -26PredN
SC(C(F)=CI)11744218.028C3H4FIS2-fluoro-3-iodoprop-2-ene-1-thiolN106SC(C(F)=CI)InChI=1S/C3H4FIS/c4-3(1-5)2-6/h1,6H,2H2InChIKey=KJIQZXBYDRBJQN-UHFFFAOYSA-N191.8Ex 191.78(BP est) -37.60(MP est) ----(BP exp) ----(MP exp) SC(C(F)=CI) -37.6PredN
FC1SCC1I11745218.028C3H4FIS2-fluoro-3-iodothietaneN106FC1SCC1IInChI=1S/C3H4FIS/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=IJTSQQWHDDCFEO-UHFFFAOYSA-N175.9Ex 175.85(BP est) -7.15(MP est) ----(BP exp) ----(MP exp) FC1SCC1I -7.2PredN
IC1CC(F)S111746218.028C3H4FIS2-fluoro-4-iodothietaneN106IC1CC(F)S1InChI=1S/C3H4FIS/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=WOCNGPXOXOWNQN-UHFFFAOYSA-N175.9Ex 175.85(BP est) -7.15(MP est) ----(BP exp) ----(MP exp) IC1CC(F)S1 -7.2PredN
SC(I)(C=CF)11747218.028C3H4FIS3-fluoro-1-iodoprop-2-ene-1-thiolN106SC(I)(C=CF)InChI=1S/C3H4FIS/c4-2-1-3(5)6/h1-3,6HInChIKey=GEBQHUOCMWWPMJ-UHFFFAOYSA-N185.0Ex 185.04(BP est) -40.09(MP est) ----(BP exp) ----(MP exp) SC(I)(C=CF) -40.1PredN
FC1C(I)(C)S111748218.028C3H4FIS3-fluoro-2-iodo-2-methylthiiraneN106FC1C(I)(C)S1InChI=1S/C3H4FIS/c1-3(5)2(4)6-3/h2H,1H3InChIKey=LTIUIZKZWBJVKD-UHFFFAOYSA-N162.7Ex 162.68(BP est) 2.72(MP est) ----(BP exp) ----(MP exp) FC1C(I)(C)S1 2.7PredN
SC(C(I)=CF)11749218.028C3H4FIS3-fluoro-2-iodoprop-2-ene-1-thiolN106SC(C(I)=CF)InChI=1S/C3H4FIS/c4-1-3(5)2-6/h1,6H,2H2InChIKey=PQFDJUHUSFGNNV-UHFFFAOYSA-N191.8Ex 191.78(BP est) -37.60(MP est) ----(BP exp) ----(MP exp) SC(C(I)=CF) -37.6PredN
IC1SCC1F11750218.028C3H4FIS3-fluoro-2-iodothietaneN106IC1SCC1FInChI=1S/C3H4FIS/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=RXZCDCUZBNDCNA-UHFFFAOYSA-N175.9Ex 175.85(BP est) -7.15(MP est) ----(BP exp) ----(MP exp) IC1SCC1F -7.2PredN
SC(C=C(F)I)11751218.028C3H4FIS3-fluoro-3-iodoprop-2-ene-1-thiolN106SC(C=C(F)I)InChI=1S/C3H4FIS/c4-3(5)1-2-6/h1,6H,2H2InChIKey=AUZFLVNAXZGCKV-UHFFFAOYSA-N191.8Ex 191.78(BP est) -37.60(MP est) ----(BP exp) ----(MP exp) SC(C=C(F)I) -37.6PredN
FC1(I)CSC111752218.028C3H4FIS3-fluoro-3-iodothietaneN106FC1(I)CSC1InChI=1S/C3H4FIS/c4-3(5)1-6-2-3/h1-2H2InChIKey=PRXGFCUQXGHHBV-UHFFFAOYSA-N170.8Ex 170.83(BP est) 5.46(MP est) ----(BP exp) ----(MP exp) FC1(I)CSC1 5.5PredN
F[Si](C)(CI)C11753218.085C3H8FISifluoro(iodomethyl)dimethylsilaneN146F[Si](C)(CI)CInChI=1S/C3H8FISi/c1-6(2,4)3-5/h3H2,1-2H3InChIKey=RLUKFZGSFCEHGV-UHFFFAOYSA-N114.7Ex 114.69(BP est) -64.89(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CI)C -64.9PredN
ClC(C1I)=C1F11755218.394C3HClFI1-chloro-2-fluoro-3-iodocycloprop-1-eneN76ClC(C1I)=C1FInChI=1S/C3HClFI/c4-1-2(5)3(1)6/h3HInChIKey=BSYNAJPAYJRXTQ-UHFFFAOYSA-N152.2Ex 152.23(BP est) -21.03(MP est) ----(BP exp) ----(MP exp) ClC(C1I)=C1F -21PredN
ClC(C1F)=C1I11756218.394C3HClFI1-chloro-3-fluoro-2-iodocycloprop-1-eneN76ClC(C1F)=C1IInChI=1S/C3HClFI/c4-1-2(5)3(1)6/h2HInChIKey=JAPOENVSCIUGQJ-UHFFFAOYSA-N152.2Ex 152.23(BP est) -21.03(MP est) ----(BP exp) ----(MP exp) ClC(C1F)=C1I -21PredN
ClC1=CC1(I)F11757218.394C3HClFI1-chloro-3-fluoro-3-iodocycloprop-1-eneN76ClC1=CC1(I)FInChI=1S/C3HClFI/c4-2-1-3(2,5)6/h1HInChIKey=LYUAWIVHGJAUFK-UHFFFAOYSA-N142.4Ex 142.43(BP est) -18.20(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(I)F -18.2PredN
C(F)(I)(C#CCl)11758218.394C3HClFI1-chloro-3-fluoro-3-iodoprop-1-yneN76C(F)(I)(C#CCl)InChI=1S/C3HClFI/c4-2-1-3(5)6/h3HInChIKey=MDUIUVBBOJWSMQ-UHFFFAOYSA-N152.0Ex 152.04(BP est) 2.60(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C#CCl) 2.6PredN
IC(C1Cl)=C1F11759218.394C3HClFI3-chloro-1-fluoro-2-iodocycloprop-1-eneN76IC(C1Cl)=C1FInChI=1S/C3HClFI/c4-1-2(5)3(1)6/h1HInChIKey=YWAVHFOORWOHLZ-UHFFFAOYSA-N166.0Ex 165.95(BP est) -17.02(MP est) ----(BP exp) ----(MP exp) IC(C1Cl)=C1F -17PredN
FC1=CC1(I)Cl11760218.394C3HClFI3-chloro-1-fluoro-3-iodocycloprop-1-eneN76FC1=CC1(I)ClInChI=1S/C3HClFI/c4-3(6)1-2(3)5/h1HInChIKey=LLVMKCGAKYLCND-UHFFFAOYSA-N144.4Ex 144.41(BP est) -17.62(MP est) ----(BP exp) ----(MP exp) FC1=CC1(I)Cl -17.6PredN
C(Cl)(I)(C#CF)11761218.394C3HClFI3-chloro-1-fluoro-3-iodoprop-1-yneN76C(Cl)(I)(C#CF)InChI=1S/C3HClFI/c4-3(6)1-2-5/h3HInChIKey=MXESDNSCHZERNR-UHFFFAOYSA-N165.8Ex 165.78(BP est) 6.61(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C#CF) 6.6PredN
IC1=CC1(F)Cl11762218.394C3HClFI3-chloro-3-fluoro-1-iodocycloprop-1-eneN76IC1=CC1(F)ClInChI=1S/C3HClFI/c4-3(5)1-2(3)6/h1HInChIKey=RFDHDZVQJXAGEL-UHFFFAOYSA-N144.4Ex 144.41(BP est) -17.62(MP est) ----(BP exp) ----(MP exp) IC1=CC1(F)Cl -17.6PredN
C(Cl)(F)(C#CI)11763218.394C3HClFI3-chloro-3-fluoro-1-iodoprop-1-yneN76C(Cl)(F)(C#CI)InChI=1S/C3HClFI/c4-3(5)1-2-6/h3HInChIKey=GBZCYDGGPSVUPP-UHFFFAOYSA-N165.8Ex 165.78(BP est) 6.61(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C#CI) 6.6PredN
C(Cl)(F)(I)(C#C)11764218.394C3HClFI3-chloro-3-fluoro-3-iodoprop-1-yneN76C(Cl)(F)(I)(C#C)InChI=1S/C3HClFI/c1-2-3(4,5)6/h1HInChIKey=WMKGQJKRWHCXRX-UHFFFAOYSA-N136.9Ex 136.87(BP est) -22.69(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(I)(C#C) -22.7PredN
C(Cl)(I)OC=C11765218.418C3H4ClIO(chloroiodomethoxy)etheneN106C(Cl)(I)OC=CInChI=1S/C3H4ClIO/c1-2-6-3(4)5/h2-3H,1H2InChIKey=UVJMLWCBNORJTM-UHFFFAOYSA-N168.8Ex 168.81(BP est) -35.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)OC=C -35.6PredN
C(Cl)OC(I)=C11766218.418C3H4ClIO1-(chloromethoxy)-1-iodoetheneN106C(Cl)OC(I)=CInChI=1S/C3H4ClIO/c1-3(5)6-2-4/h1-2H2InChIKey=DTJKAWRTUUMTFD-UHFFFAOYSA-N187.1Ex 187.10(BP est) -29.76(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(I)=C -29.8PredN
C(Cl)OC=C(I)11767218.418C3H4ClIO1-(chloromethoxy)-2-iodoetheneN106C(Cl)OC=C(I)InChI=1S/C3H4ClIO/c4-3-6-2-1-5/h1-2H,3H2InChIKey=UXRXOCDUJSJSPN-UHFFFAOYSA-N200.3Ex 200.34(BP est) -20.57(MP est) ----(BP exp) ----(MP exp) C(Cl)OC=C(I) -20.6PredN
C(I)OC(Cl)=C11768218.418C3H4ClIO1-chloro-1-(iodomethoxy)etheneN106C(I)OC(Cl)=CInChI=1S/C3H4ClIO/c1-3(4)6-2-5/h1-2H2InChIKey=CGEOIJAIDSVOTA-UHFFFAOYSA-N162.3Ex 162.32(BP est) -36.99(MP est) ----(BP exp) ----(MP exp) C(I)OC(Cl)=C -37PredN
COC=C(Cl)(I)11769218.418C3H4ClIO1-chloro-1-iodo-2-methoxyetheneN106COC=C(Cl)(I)InChI=1S/C3H4ClIO/c1-6-2-3(4)5/h2H,1H3InChIKey=LOXVVCGHKILFFB-UHFFFAOYSA-N170.5Ex 170.50(BP est) -36.26(MP est) ----(BP exp) ----(MP exp) COC=C(Cl)(I) -36.3PredN
OC(C=C)(Cl)(I)11770218.418C3H4ClIO1-chloro-1-iodoprop-2-en-1-olN106OC(C=C)(Cl)(I)InChI=1S/C3H4ClIO/c1-2-3(4,5)6/h2,6H,1H2InChIKey=ADRCVTCQAZCJFQ-UHFFFAOYSA-N189.1Ex 189.13(BP est) -1.68(MP est) ----(BP exp) ----(MP exp) OC(C=C)(Cl)(I) -1.7PredN
CC(=O)C(Cl)(I)11771218.418C3H4ClIO1-chloro-1-iodopropan-2-oneN106CC(=O)C(Cl)(I)InChI=1S/C3H4ClIO/c1-2(6)3(4)5/h3H,1H3InChIKey=PFCDGQOZMFOVHJ-UHFFFAOYSA-N189.4Ex 189.42(BP est) -14.87(MP est) ----(BP exp) ----(MP exp) CC(=O)C(Cl)(I) -14.9PredN
C(I)OC=C(Cl)11772218.418C3H4ClIO1-chloro-2-(iodomethoxy)etheneN106C(I)OC=C(Cl)InChI=1S/C3H4ClIO/c4-1-2-6-3-5/h1-2H,3H2InChIKey=WLOQNEMWKUQNPJ-UHFFFAOYSA-N176.3Ex 176.26(BP est) -27.60(MP est) ----(BP exp) ----(MP exp) C(I)OC=C(Cl) -27.6PredN
COC(Cl)=C(I)11773218.418C3H4ClIO1-chloro-2-iodo-1-methoxyetheneN106COC(Cl)=C(I)InChI=1S/C3H4ClIO/c1-6-3(4)2-5/h2H,1H3InChIKey=RYISDWACHCTYFH-UHFFFAOYSA-N170.5Ex 170.50(BP est) -36.26(MP est) ----(BP exp) ----(MP exp) COC(Cl)=C(I) -36.3PredN
OC(C1)(Cl)(C1I)11774218.418C3H4ClIO1-chloro-2-iodocyclopropan-1-olN106OC(C1)(Cl)(C1I)InChI=1S/C3H4ClIO/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=QKOUPIHVDQZXNQ-UHFFFAOYSA-N197.8Ex 197.75(BP est) 19.31(MP est) ----(BP exp) ----(MP exp) OC(C1)(Cl)(C1I) 19.3PredN
OC(C(I)=C)(Cl)11775218.418C3H4ClIO1-chloro-2-iodoprop-2-en-1-olN106OC(C(I)=C)(Cl)InChI=1S/C3H4ClIO/c1-2(5)3(4)6/h3,6H,1H2InChIKey=XXWZXGOTTGIPGU-UHFFFAOYSA-N211.7Ex 211.69(BP est) -10.78(MP est) ----(BP exp) ----(MP exp) OC(C(I)=C)(Cl) -10.8PredN
C(Cl)C(=O)C(I)11776218.418C3H4ClIO1-chloro-3-iodopropan-2-oneN106C(Cl)C(=O)C(I)InChI=1S/C3H4ClIO/c4-1-3(6)2-5/h1-2H2InChIKey=WFCAIJZSXINONR-UHFFFAOYSA-N212.2Ex 212.24(BP est) -0.71(MP est) ----(BP exp) ----(MP exp) C(Cl)C(=O)C(I) -0.7PredY(Kladi et al. 2004)
ClC(I)C1CO111777218.418C3H4ClIO2-(chloroiodomethyl)oxiraneN106ClC(I)C1CO1InChI=1S/C3H4ClIO/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=OPEMDNTUTSKHDV-UHFFFAOYSA-N178.8Ex 178.84(BP est) -20.67(MP est) ----(BP exp) ----(MP exp) ClC(I)C1CO1 -20.7PredN
IC1(CCl)CO111778218.418C3H4ClIO2-(chloromethyl)-2-iodooxiraneN106IC1(CCl)CO1InChI=1S/C3H4ClIO/c4-1-3(5)2-6-3/h1-2H2InChIKey=MDXXVZNEWPDDKT-UHFFFAOYSA-N191.6Ex 191.61(BP est) 2.51(MP est) ----(BP exp) ----(MP exp) IC1(CCl)CO1 2.5PredN
IC1C(CCl)O111779218.418C3H4ClIO2-(chloromethyl)-3-iodooxiraneN106IC1C(CCl)O1InChI=1S/C3H4ClIO/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=FGLVATJFXNXLKP-UHFFFAOYSA-N196.4Ex 196.41(BP est) -10.16(MP est) ----(BP exp) ----(MP exp) IC1C(CCl)O1 -10.2PredN
COC(I)=C(Cl)11780218.418C3H4ClIO2-chloro-1-iodo-1-methoxyetheneN106COC(I)=C(Cl)InChI=1S/C3H4ClIO/c1-6-3(5)2-4/h2H,1H3InChIKey=DJSDYRVRFIWWSV-UHFFFAOYSA-N170.5Ex 170.50(BP est) -36.26(MP est) ----(BP exp) ----(MP exp) COC(I)=C(Cl) -36.3PredN
OC(C1)(I)(C1Cl)11781218.418C3H4ClIO2-chloro-1-iodocyclopropan-1-olN106OC(C1)(I)(C1Cl)InChI=1S/C3H4ClIO/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=MYIYFZFRQFDVKQ-UHFFFAOYSA-N208.5Ex 208.51(BP est) 22.45(MP est) ----(BP exp) ----(MP exp) OC(C1)(I)(C1Cl) 22.5PredN
OC(C(Cl)=C)(I)11782218.418C3H4ClIO2-chloro-1-iodoprop-2-en-1-olN106OC(C(Cl)=C)(I)InChI=1S/C3H4ClIO/c1-2(4)3(5)6/h3,6H,1H2InChIKey=QPQWICZIYAVABF-UHFFFAOYSA-N199.3Ex 199.25(BP est) -14.41(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)=C)(I) -14.4PredN
ClC1(CI)CO111783218.418C3H4ClIO2-chloro-2-(iodomethyl)oxiraneN106ClC1(CI)CO1InChI=1S/C3H4ClIO/c4-3(1-5)2-6-3/h1-2H2InChIKey=VZPFWIWCYPPLER-UHFFFAOYSA-N169.0Ex 168.96(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) ClC1(CI)CO1 -4.1PredN
ClC1(I)C(C)O111784218.418C3H4ClIO2-chloro-2-iodo-3-methyloxiraneN106ClC1(I)C(C)O1InChI=1S/C3H4ClIO/c1-2-3(4,5)6-2/h2H,1H3InChIKey=BEBZBBUCESTEAR-UHFFFAOYSA-N162.8Ex 162.75(BP est) -8.04(MP est) ----(BP exp) ----(MP exp) ClC1(I)C(C)O1 -8PredN
OC(C1)(C1(Cl)I)11785218.418C3H4ClIO2-chloro-2-iodocyclopropan-1-olN106OC(C1)(C1(Cl)I)InChI=1S/C3H4ClIO/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=XQLBCOZDGBZZEW-UHFFFAOYSA-N207.0Ex 207.00(BP est) 22.01(MP est) ----(BP exp) ----(MP exp) OC(C1)(C1(Cl)I) 22PredN
ClC1(I)OCC111786218.418C3H4ClIO2-chloro-2-iodooxetaneN106ClC1(I)OCC1InChI=1S/C3H4ClIO/c4-3(5)1-2-6-3/h1-2H2InChIKey=YLPURWFPHUOMFD-UHFFFAOYSA-N170.9Ex 170.90(BP est) -5.30(MP est) ----(BP exp) ----(MP exp) ClC1(I)OCC1 -5.3PredN
C(=O)C(Cl)(I)(C)11787218.418C3H4ClIO2-chloro-2-iodopropanalN106C(=O)C(Cl)(I)(C)InChI=1S/C3H4ClIO/c1-3(4,5)2-6/h2H,1H3InChIKey=GUTZXBSKDPJWMS-UHFFFAOYSA-N182.1Ex 182.05(BP est) -12.28(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(I)(C) -12.3PredN
ClC1C(CI)O111788218.418C3H4ClIO2-chloro-3-(iodomethyl)oxiraneN106ClC1C(CI)O1InChI=1S/C3H4ClIO/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=YJWUJGPOQSOCFJ-UHFFFAOYSA-N185.3Ex 185.32(BP est) -13.40(MP est) ----(BP exp) ----(MP exp) ClC1C(CI)O1 -13.4PredN
IC1C(Cl)(C)O111789218.418C3H4ClIO2-chloro-3-iodo-2-methyloxiraneN106IC1C(Cl)(C)O1InChI=1S/C3H4ClIO/c1-3(4)2(5)6-3/h2H,1H3InChIKey=XEAUWTMIBLLXAL-UHFFFAOYSA-N162.8Ex 162.75(BP est) -8.04(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(C)O1 -8PredN
ClC1OCC1I11790218.418C3H4ClIO2-chloro-3-iodooxetaneN106ClC1OCC1IInChI=1S/C3H4ClIO/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=XYGQYZRIHXBDAV-UHFFFAOYSA-N187.2Ex 187.20(BP est) -14.61(MP est) ----(BP exp) ----(MP exp) ClC1OCC1I -14.6PredN
C(=O)C(Cl)(CI)11791218.418C3H4ClIO2-chloro-3-iodopropanalN106C(=O)C(Cl)(CI)InChI=1S/C3H4ClIO/c4-3(1-5)2-6/h2-3H,1H2InChIKey=UTFWGXAEIQJNFU-UHFFFAOYSA-N201.1Ex 201.12(BP est) -15.42(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(CI) -15.4PredN
ClC1CC(I)O111792218.418C3H4ClIO2-chloro-4-iodooxetaneN106ClC1CC(I)O1InChI=1S/C3H4ClIO/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=UUUGILASZOFBIV-UHFFFAOYSA-N187.2Ex 187.20(BP est) -14.61(MP est) ----(BP exp) ----(MP exp) ClC1CC(I)O1 -14.6PredN
ClC1C(I)(C)O111793218.418C3H4ClIO3-chloro-2-iodo-2-methyloxiraneN106ClC1C(I)(C)O1InChI=1S/C3H4ClIO/c1-3(5)2(4)6-3/h2H,1H3InChIKey=BVDBXTLIPLAHAX-UHFFFAOYSA-N174.3Ex 174.34(BP est) -4.65(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(C)O1 -4.7PredN
IC1OCC1Cl11794218.418C3H4ClIO3-chloro-2-iodooxetaneN106IC1OCC1ClInChI=1S/C3H4ClIO/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=KWNRTVBHWRTGGQ-UHFFFAOYSA-N187.2Ex 187.20(BP est) -14.61(MP est) ----(BP exp) ----(MP exp) IC1OCC1Cl -14.6PredN
C(=O)C(I)(CCl)11795218.418C3H4ClIO3-chloro-2-iodopropanalN106C(=O)C(I)(CCl)InChI=1S/C3H4ClIO/c4-1-3(5)2-6/h2-3H,1H2InChIKey=LRNIABUODGJUNR-UHFFFAOYSA-N211.8Ex 211.83(BP est) -12.29(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(CCl) -12.3PredN
ClC1(I)COC111796218.418C3H4ClIO3-chloro-3-iodooxetaneN106ClC1(I)COC1InChI=1S/C3H4ClIO/c4-3(5)1-6-2-3/h1-2H2InChIKey=HHXQWUGCFFEILD-UHFFFAOYSA-N170.9Ex 170.90(BP est) -5.30(MP est) ----(BP exp) ----(MP exp) ClC1(I)COC1 -5.3PredN
C(=O)C(C(Cl)I)11797218.418C3H4ClIO3-chloro-3-iodopropanalN106C(=O)C(C(Cl)I)InChI=1S/C3H4ClIO/c4-3(5)1-2-6/h2-3H,1H2InChIKey=PHXWTVBJTICMSN-UHFFFAOYSA-N201.1Ex 201.12(BP est) -15.42(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(Cl)I) -15.4PredN
ClC(S1)=C1I11798218.436C2ClIS2-chloro-3-iodothiireneN55ClC(S1)=C1IInChI=1S/C2ClIS/c3-1-2(4)5-1InChIKey=SVGNJBBMZLDTJJ-UHFFFAOYSA-N193.3Ex 193.34(BP est) 25.89(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1I 25.9PredN
CC(C(I)Cl)C11799218.462C4H8ClI1-chloro-1-iodo-2-methylpropaneN146CC(C(I)Cl)CInChI=1S/C4H8ClI/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=PKLVGJZTWDJYCF-UHFFFAOYSA-N156.6Ex 156.60(BP est) -51.28(MP est) ----(BP exp) ----(MP exp) CC(C(I)Cl)C -51.3PredN
C(CCC(Cl)I)11800218.462C4H8ClI1-chloro-1-iodobutaneN146C(CCC(Cl)I)InChI=1S/C4H8ClI/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=FWCCUMCZCQAIMH-UHFFFAOYSA-N169.6Ex 169.57(BP est) -39.99(MP est) ----(BP exp) ----(MP exp) C(CCC(Cl)I) -40PredN
C(I)(C)(C)(CCl)11801218.462C4H8ClI1-chloro-2-iodo-2-methylpropaneN146C(I)(C)(C)(CCl)InChI=1S/C4H8ClI/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=YCROSUCGYJAEDV-UHFFFAOYSA-N172.7Ex 172.74(BP est) -30.36(MP est) ----(BP exp) ----(MP exp) C(I)(C)(C)(CCl) -30.4PredN
C(CC(I)CCl)11802218.462C4H8ClI1-chloro-2-iodobutaneN146C(CC(I)CCl)InChI=1S/C4H8ClI/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=ZHXVUJLWLJXBBJ-UHFFFAOYSA-N181.0Ex 181.04(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) C(CC(I)CCl) -36.7PredN
C(C)(CCl)(CI)11803218.462C4H8ClI1-chloro-3-iodo-2-methylpropaneN146C(C)(CCl)(CI)InChI=1S/C4H8ClI/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=FHRUPGMMCXRPDU-UHFFFAOYSA-N181.0Ex 181.04(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) C(C)(CCl)(CI) -36.7PredN
C(C(I)CCCl)11804218.462C4H8ClI1-chloro-3-iodobutaneN146C(C(I)CCCl)InChI=1S/C4H8ClI/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=KQXLYPOXNBWZBX-UHFFFAOYSA-N181.0Ex 181.04(BP est) -36.65(MP est) ----(BP exp) ----(MP exp) C(C(I)CCCl) -36.7PredN
C(Cl)(CCCI)11805218.462C4H8ClI1-chloro-4-iodobutaneN146C(Cl)(CCCI)InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2InChIKey=JXOSPTBRSOYXGC-UHFFFAOYSA-N193.4Ex 193.38(BP est) -25.54(MP est) ----(BP exp) ----(MP exp) C(Cl)(CCCI) -25.5PredN
ClC(C)(CI)C11806218.462C4H8ClI2-chloro-1-iodo-2-methylpropaneN146ClC(C)(CI)CInChI=1S/C4H8ClI/c1-4(2,5)3-6/h3H2,1-2H3InChIKey=SKMTYEVULCUNJI-UHFFFAOYSA-N149.2Ex 149.19(BP est) -37.24(MP est) ----(BP exp) ----(MP exp) ClC(C)(CI)C -37.2PredN
C(CC(Cl)CI)11807218.462C4H8ClI2-chloro-1-iodobutaneN146C(CC(Cl)CI)InChI=1S/C4H8ClI/c1-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=WJSVHHICQPRGSM-UHFFFAOYSA-N169.6Ex 169.57(BP est) -39.99(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)CI) -40PredN
CCC(I)(C)Cl11808218.462C4H8ClI2-chloro-2-iodobutaneN146CCC(I)(C)ClInChI=1S/C4H8ClI/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=KGJDNEKJIGBQJS-UHFFFAOYSA-N149.2Ex 149.19(BP est) -37.24(MP est) ----(BP exp) ----(MP exp) CCC(I)(C)Cl -37.2PredN
CC(C(C)I)Cl11809218.462C4H8ClI2-chloro-3-iodobutaneN146CC(C(C)I)ClInChI=1S/C4H8ClI/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=RJHXFBQMFXZORO-UHFFFAOYSA-N156.6Ex 156.60(BP est) -51.28(MP est) ----(BP exp) ----(MP exp) CC(C(C)I)Cl -51.3PredN
C(C(Cl)CCI)11810218.462C4H8ClI3-chloro-1-iodobutaneN146C(C(Cl)CCI)InChI=1S/C4H8ClI/c1-4(5)2-3-6/h4H,2-3H2,1H3InChIKey=FEKGDSARJXPSPX-UHFFFAOYSA-N169.6Ex 169.57(BP est) -39.99(MP est) ----(BP exp) ----(MP exp) C(C(Cl)CCI) -40PredN
FC1C(Br)(Br)N111811218.851C2H2Br2FN2,2-dibromo-3-fluoroaziridineN86FC1C(Br)(Br)N1InChI=1S/C2H2Br2FN/c3-2(4)1(5)6-2/h1,6HInChIKey=AONWUYRTVYFNJN-UHFFFAOYSA-N176.2Ex 176.20(BP est) 17.41(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Br)N1 17.4PredN
BrC1C(Br)(F)N111812218.851C2H2Br2FN2,3-dibromo-2-fluoroaziridineN86BrC1C(Br)(F)N1InChI=1S/C2H2Br2FN/c3-1-2(4,5)6-1/h1,6HInChIKey=FAFYAHZXEHOYPO-UHFFFAOYSA-N176.2Ex 176.20(BP est) 17.41(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(F)N1 17.4PredN
NCOC(Br)(Br)11813218.876C2H5Br2NO(dibromomethoxy)methanamineN116NCOC(Br)(Br)InChI=1S/C2H5Br2NO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=GEZMQYPFJWSDFI-UHFFFAOYSA-N197.2Ex 197.20(BP est) 25.36(MP est) ----(BP exp) ----(MP exp) NCOC(Br)(Br) 25.4PredN
NC(Br)OC(Br)11814218.876C2H5Br2NObromo(bromomethoxy)methanamineN116NC(Br)OC(Br)InChI=1S/C2H5Br2NO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=UBWDLJWFELPBAH-UHFFFAOYSA-N197.2Ex 197.20(BP est) 25.36(MP est) ----(BP exp) ----(MP exp) NC(Br)OC(Br) 25.4PredN
NC(Br)(Br)OC11815218.876C2H5Br2NOdibromo(methoxy)methanamineN116NC(Br)(Br)OCInChI=1S/C2H5Br2NO/c1-6-2(3,4)5/h5H2,1H3InChIKey=ZDNMTJLMUVENGZ-UHFFFAOYSA-N189.2Ex 189.19(BP est) 20.09(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)OC 20.1PredN
BrC(Br)(C)NO11816218.876C2H5Br2NON-(1,1-dibromoethyl)hydroxylamineN116BrC(Br)(C)NOInChI=1S/C2H5Br2NO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=XCMVVAFRLUTVFU-UHFFFAOYSA-N240.2Ex 240.24(BP est) 42.62(MP est) ----(BP exp) ----(MP exp) BrC(Br)(C)NO 42.6PredN
BrC(Br)N(O)C11817218.876C2H5Br2NON-(dibromomethyl)-N-methylhydroxylamineN116BrC(Br)N(O)CInChI=1S/C2H5Br2NO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=UEOPQENLSOWUMK-UHFFFAOYSA-N286.5Ex 286.52(BP est) 68.41(MP est) ----(BP exp) ----(MP exp) BrC(Br)N(O)C 68.4PredN
BrC(Br)NOC11818218.876C2H5Br2NON-(dibromomethyl)-O-methylhydroxylamineN116BrC(Br)NOCInChI=1S/C2H5Br2NO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=OBLYSUQROXOKDZ-UHFFFAOYSA-N181.3Ex 181.26(BP est) 5.40(MP est) ----(BP exp) ----(MP exp) BrC(Br)NOC 5.4PredN
BrCNOCBr11819218.876C2H5Br2NON,O-bis(bromomethyl)hydroxylamineN116BrCNOCBrInChI=1S/C2H5Br2NO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=QQOBHRDWGPMQKV-UHFFFAOYSA-N193.6Ex 193.60(BP est) 16.51(MP est) ----(BP exp) ----(MP exp) BrCNOCBr 16.5PredN
NOC(Br)(C)Br11820218.876C2H5Br2NOO-(1,1-dibromoethyl)hydroxylamineN116NOC(Br)(C)BrInChI=1S/C2H5Br2NO/c1-2(3,4)6-5/h5H2,1H3InChIKey=LOZIBEDLWRZTNX-UHFFFAOYSA-N189.2Ex 189.19(BP est) 20.09(MP est) ----(BP exp) ----(MP exp) NOC(Br)(C)Br 20.1PredN
NOC(CBr)Br11821218.876C2H5Br2NOO-(1,2-dibromoethyl)hydroxylamineN116NOC(CBr)BrInChI=1S/C2H5Br2NO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=XJEBFCNKUWYHER-UHFFFAOYSA-N197.2Ex 197.20(BP est) 25.36(MP est) ----(BP exp) ----(MP exp) NOC(CBr)Br 25.4PredN
NOCC(Br)Br11822218.876C2H5Br2NOO-(2,2-dibromoethyl)hydroxylamineN116NOCC(Br)BrInChI=1S/C2H5Br2NO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=HLSAFMJBTYYBGY-UHFFFAOYSA-N197.2Ex 197.20(BP est) 25.36(MP est) ----(BP exp) ----(MP exp) NOCC(Br)Br 25.4PredN
CNOC(Br)Br11823218.876C2H5Br2NOO-(dibromomethyl)-N-methylhydroxylamineN116CNOC(Br)BrInChI=1S/C2H5Br2NO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=GGLYWXOFOBMTDV-UHFFFAOYSA-N181.3Ex 181.26(BP est) 5.40(MP est) ----(BP exp) ----(MP exp) CNOC(Br)Br 5.4PredN
ClC(C(N)=O)I11824219.406C2H3ClINO2-chloro-2-iodoacetamideN96ClC(C(N)=O)IInChI=1S/C2H3ClINO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=UWWIMPAKBITDPS-UHFFFAOYSA-N290.2Ex 290.19(BP est) 78.64(MP est) ----(BP exp) ----(MP exp) ClC(C(N)=O)I 78.6PredY(Kladi et al. 2004)
ClC1(I)N(O)C111825219.406C2H3ClINO2-chloro-2-iodoaziridin-1-olN96ClC1(I)N(O)C1InChI=1S/C2H3ClINO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=JWLJKWKRHJXTMI-UHFFFAOYSA-N285.9Ex 285.91(BP est) 72.83(MP est) ----(BP exp) ----(MP exp) ClC1(I)N(O)C1 72.8PredN
ClC1(I)NOC111826219.406C2H3ClINO3-chloro-3-iodo-1,2-oxazetidineN96ClC1(I)NOC1InChI=1S/C2H3ClINO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=NWFWKZGLQVOLMS-UHFFFAOYSA-N203.9Ex 203.90(BP est) 28.31(MP est) ----(BP exp) ----(MP exp) ClC1(I)NOC1 28.3PredN
ClC1NOC1I11827219.406C2H3ClINO3-chloro-4-iodo-1,2-oxazetidineN96ClC1NOC1IInChI=1S/C2H3ClINO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=PVOWINMSNHLSHN-UHFFFAOYSA-N219.1Ex 219.06(BP est) 32.46(MP est) ----(BP exp) ----(MP exp) ClC1NOC1I 32.5PredN
IC1NOC1Cl11828219.406C2H3ClINO4-chloro-3-iodo-1,2-oxazetidineN96IC1NOC1ClInChI=1S/C2H3ClINO/c3-1-2(4)5-6-1/h1-2,5HInChIKey=NGKSIAUOFGDUMH-UHFFFAOYSA-N219.1Ex 219.06(BP est) 32.46(MP est) ----(BP exp) ----(MP exp) IC1NOC1Cl 32.5PredN
ClC1(I)CNO111829219.406C2H3ClINO4-chloro-4-iodo-1,2-oxazetidineN96ClC1(I)CNO1InChI=1S/C2H3ClINO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=IACIGOWNGPJUCT-UHFFFAOYSA-N203.9Ex 203.90(BP est) 28.31(MP est) ----(BP exp) ----(MP exp) ClC1(I)CNO1 28.3PredN
NOC(Cl)=CI11830219.406C2H3ClINOO-(1-chloro-2-iodovinyl)hydroxylamineN96NOC(Cl)=CIInChI=1S/C2H3ClINO/c3-2(1-4)6-5/h1H,5H2InChIKey=ADEMGKSICZYZQK-UHFFFAOYSA-N204.3Ex 204.29(BP est) 9.60(MP est) ----(BP exp) ----(MP exp) NOC(Cl)=CI 9.6PredN
NOC(I)=CCl11831219.406C2H3ClINOO-(2-chloro-1-iodovinyl)hydroxylamineN96NOC(I)=CClInChI=1S/C2H3ClINO/c3-1-2(4)6-5/h1H,5H2InChIKey=CBDNHFLKRAVNBK-UHFFFAOYSA-N204.3Ex 204.29(BP est) 9.60(MP est) ----(BP exp) ----(MP exp) NOC(I)=CCl 9.6PredN
NOC=C(I)Cl11832219.406C2H3ClINOO-(2-chloro-2-iodovinyl)hydroxylamineN96NOC=C(I)ClInChI=1S/C2H3ClINO/c3-2(4)1-6-5/h1H,5H2InChIKey=MBJIVXLDOLDSSE-UHFFFAOYSA-N204.3Ex 204.29(BP est) 9.60(MP est) ----(BP exp) ----(MP exp) NOC=C(I)Cl 9.6PredN
CN(C)C(Cl)(I)11833219.45C3H7ClIN1-chloro-1-iodo-N,N-dimethylmethanamineN136CN(C)C(Cl)(I)InChI=1S/C3H7ClIN/c1-6(2)3(4)5/h3H,1-2H3InChIKey=LANDWKUZLXDOFG-UHFFFAOYSA-N169.0Ex 168.98(BP est) -29.57(MP est) ----(BP exp) ----(MP exp) CN(C)C(Cl)(I) -29.6PredN
CNC(Cl)(I)(C)11834219.45C3H7ClIN1-chloro-1-iodo-N-methylethan-1-amineN136CNC(Cl)(I)(C)InChI=1S/C3H7ClIN/c1-3(4,5)6-2/h6H,1-2H3InChIKey=SUTMPLSOULKSPK-UHFFFAOYSA-N168.1Ex 168.06(BP est) -11.03(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(I)(C) -11PredN
NC(Cl)(I)(CC)11835219.45C3H7ClIN1-chloro-1-iodopropan-1-amineN136NC(Cl)(I)(CC)InChI=1S/C3H7ClIN/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=WYKSXDKVJYWICB-UHFFFAOYSA-N184.5Ex 184.45(BP est) 9.05(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)(CC) 9.1PredN
NC(C)(C(Cl)I)11836219.45C3H7ClIN1-chloro-1-iodopropan-2-amineN136NC(C)(C(Cl)I)InChI=1S/C3H7ClIN/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=MOHIDMDJYLURRC-UHFFFAOYSA-N191.4Ex 191.36(BP est) -5.14(MP est) ----(BP exp) ----(MP exp) NC(C)(C(Cl)I) -5.1PredN
CNC(Cl)(CI)11837219.45C3H7ClIN1-chloro-2-iodo-N-methylethan-1-amineN136CNC(Cl)(CI)InChI=1S/C3H7ClIN/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=QDNUGJNPFLSPJD-UHFFFAOYSA-N187.7Ex 187.71(BP est) -14.01(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(CI) -14PredN
NC(Cl)(C(I)C)11838219.45C3H7ClIN1-chloro-2-iodopropan-1-amineN136NC(Cl)(C(I)C)InChI=1S/C3H7ClIN/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=WBTZIUCPTPPULK-UHFFFAOYSA-N191.4Ex 191.36(BP est) -5.14(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(I)C) -5.1PredN
NC(I)(C)(CCl)11839219.45C3H7ClIN1-chloro-2-iodopropan-2-amineN136NC(I)(C)(CCl)InChI=1S/C3H7ClIN/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=BOQURJWCSPEOCO-UHFFFAOYSA-N206.4Ex 206.37(BP est) 15.45(MP est) ----(BP exp) ----(MP exp) NC(I)(C)(CCl) 15.5PredN
NC(Cl)(CCI)11840219.45C3H7ClIN1-chloro-3-iodopropan-1-amineN136NC(Cl)(CCI)InChI=1S/C3H7ClIN/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=KNIIMUYAXJYEOE-UHFFFAOYSA-N203.4Ex 203.43(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) NC(Cl)(CCI) 5.9PredN
NC(CCl)(CI)11841219.45C3H7ClIN1-chloro-3-iodopropan-2-amineN136NC(CCl)(CI)InChI=1S/C3H7ClIN/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=IYHYYOKYNLXORT-UHFFFAOYSA-N214.1Ex 214.08(BP est) 8.99(MP est) ----(BP exp) ----(MP exp) NC(CCl)(CI) 9PredN
C(I)NC(Cl)(C)11842219.45C3H7ClIN1-chloro-N-(iodomethyl)ethan-1-amineN136C(I)NC(Cl)(C)InChI=1S/C3H7ClIN/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=PJJTWSXACPGZKL-UHFFFAOYSA-N187.7Ex 187.71(BP est) -14.01(MP est) ----(BP exp) ----(MP exp) C(I)NC(Cl)(C) -14PredN
CN(C(Cl))C(I)11843219.45C3H7ClIN1-chloro-N-(iodomethyl)-N-methylmethanamineN136CN(C(Cl))C(I)InChI=1S/C3H7ClIN/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=IYGFUSLMPPYBEO-UHFFFAOYSA-N192.8Ex 192.81(BP est) -15.11(MP est) ----(BP exp) ----(MP exp) CN(C(Cl))C(I) -15.1PredN
CNC(I)(CCl)11844219.45C3H7ClIN2-chloro-1-iodo-N-methylethan-1-amineN136CNC(I)(CCl)InChI=1S/C3H7ClIN/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=XHYIRDWMSASENC-UHFFFAOYSA-N198.7Ex 198.74(BP est) -10.78(MP est) ----(BP exp) ----(MP exp) CNC(I)(CCl) -10.8PredN
NC(I)(C(Cl)C)11845219.45C3H7ClIN2-chloro-1-iodopropan-1-amineN136NC(I)(C(Cl)C)InChI=1S/C3H7ClIN/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=GRWPCEGBDRQDPD-UHFFFAOYSA-N191.4Ex 191.36(BP est) -5.14(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Cl)C) -5.1PredN
NC(Cl)(C)(CI)11846219.45C3H7ClIN2-chloro-1-iodopropan-2-amineN136NC(Cl)(C)(CI)InChI=1S/C3H7ClIN/c1-3(4,6)2-5/h2,6H2,1H3InChIKey=HXPGWNCOCQSYOJ-UHFFFAOYSA-N184.5Ex 184.45(BP est) 9.05(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C)(CI) 9.1PredN
CNC(C(Cl)I)11847219.45C3H7ClIN2-chloro-2-iodo-N-methylethan-1-amineN136CNC(C(Cl)I)InChI=1S/C3H7ClIN/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=RUKMHHZTDBYNKJ-UHFFFAOYSA-N187.7Ex 187.71(BP est) -14.01(MP est) ----(BP exp) ----(MP exp) CNC(C(Cl)I) -14PredN
NC(C(Cl)(I)C)11848219.45C3H7ClIN2-chloro-2-iodopropan-1-amineN136NC(C(Cl)(I)C)InChI=1S/C3H7ClIN/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=GPBGJGDFHBCHMR-UHFFFAOYSA-N184.5Ex 184.45(BP est) 9.05(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)(I)C) 9.1PredN
NC(C(Cl)CI)11849219.45C3H7ClIN2-chloro-3-iodopropan-1-amineN136NC(C(Cl)CI)InChI=1S/C3H7ClIN/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=UREUPZFKFAIWPC-UHFFFAOYSA-N203.4Ex 203.43(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)CI) 5.9PredN
C(I)NC(CCl)11850219.45C3H7ClIN2-chloro-N-(iodomethyl)ethan-1-amineN136C(I)NC(CCl)InChI=1S/C3H7ClIN/c4-1-2-6-3-5/h6H,1-3H2InChIKey=NXPAALWAWXHUGP-UHFFFAOYSA-N210.6Ex 210.61(BP est) 0.18(MP est) ----(BP exp) ----(MP exp) C(I)NC(CCl) 0.2PredN
NC(I)(CCCl)11851219.45C3H7ClIN3-chloro-1-iodopropan-1-amineN136NC(I)(CCCl)InChI=1S/C3H7ClIN/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=ZHWGGCUOJKSHQO-UHFFFAOYSA-N214.1Ex 214.08(BP est) 8.99(MP est) ----(BP exp) ----(MP exp) NC(I)(CCCl) 9PredN
NC(C(I)CCl)11852219.45C3H7ClIN3-chloro-2-iodopropan-1-amineN136NC(C(I)CCl)InChI=1S/C3H7ClIN/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=YLKMBEUINDSSQU-UHFFFAOYSA-N214.1Ex 214.08(BP est) 8.99(MP est) ----(BP exp) ----(MP exp) NC(C(I)CCl) 9PredN
NC(CC(Cl)I)11853219.45C3H7ClIN3-chloro-3-iodopropan-1-amineN136NC(CC(Cl)I)InChI=1S/C3H7ClIN/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=WHRWTAAJMCRRCK-UHFFFAOYSA-N203.4Ex 203.43(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) NC(CC(Cl)I) 5.9PredN
C(Cl)(I)NC(C)11854219.45C3H7ClINN-(chloroiodomethyl)ethanamineN136C(Cl)(I)NC(C)InChI=1S/C3H7ClIN/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=KGKAEMPCAFIKQM-UHFFFAOYSA-N187.7Ex 187.71(BP est) -14.01(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)NC(C) -14PredN
C(Cl)NC(I)(C)11855219.45C3H7ClINN-(chloromethyl)-1-iodoethan-1-amineN136C(Cl)NC(I)(C)InChI=1S/C3H7ClIN/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=KIVIHJHSFQTCEY-UHFFFAOYSA-N198.7Ex 198.74(BP est) -10.78(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(I)(C) -10.8PredN
C(Cl)NC(CI)11856219.45C3H7ClINN-(chloromethyl)-2-iodoethan-1-amineN136C(Cl)NC(CI)InChI=1S/C3H7ClIN/c4-3-6-2-1-5/h6H,1-3H2InChIKey=NHBZPZXGUMQKHR-UHFFFAOYSA-N210.6Ex 210.61(BP est) 0.18(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(CI) 0.2PredN
O=PC(Br)Br11860219.8CHBr2OP(dibromomethyl)(oxo)phosphaneN65O=PC(Br)BrInChI=1S/CHBr2OP/c2-1(3)5-4/h1HInChIKey=FEKKRTKNVDYFNQ-UHFFFAOYSA-N193.8Ex 193.77(BP est) -0.84(MP est) ----(BP exp) ----(MP exp) O=PC(Br)Br -0.8PredN
C(=O)C(Br)(Br)(F)11861219.835C2HBr2FO2,2-dibromo-2-fluoroacetaldehydeN76C(=O)C(Br)(Br)(F)InChI=1S/C2HBr2FO/c3-2(4,5)1-6/h1HInChIKey=XYHPBUYGFWDSRU-UHFFFAOYSA-N167.1Ex 167.12(BP est) -6.17(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(Br)(F) -6.2PredN
FC1C(Br)(Br)O111862219.835C2HBr2FO2,2-dibromo-3-fluorooxiraneN76FC1C(Br)(Br)O1InChI=1S/C2HBr2FO/c3-2(4)1(5)6-2/h1HInChIKey=XTOIHGGDYKGJHS-UHFFFAOYSA-N147.2Ex 147.24(BP est) -2.09(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Br)O1 -2.1PredN
BrC1C(Br)(F)O111863219.835C2HBr2FO2,3-dibromo-2-fluorooxiraneN76BrC1C(Br)(F)O1InChI=1S/C2HBr2FO/c3-1-2(4,5)6-1/h1HInChIKey=ZPWUDRLNXZNFHH-UHFFFAOYSA-N147.2Ex 147.24(BP est) -2.09(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(F)O1 -2.1PredN
PC(C)(Br)Br11864219.844C2H5Br2P(1,1-dibromoethyl)phosphaneN105PC(C)(Br)BrInChI=1S/C2H5Br2P/c1-2(3,4)5/h5H2,1H3InChIKey=DFWOBXKOLCSANL-UHFFFAOYSA-N165.0Ex 164.98(BP est) -12.40(MP est) ----(BP exp) ----(MP exp) PC(C)(Br)Br -12.4PredN
PC(Br)CBr11865219.844C2H5Br2P(1,2-dibromoethyl)phosphaneN105PC(Br)CBrInChI=1S/C2H5Br2P/c3-1-2(4)5/h2H,1,5H2InChIKey=WEVUFIVPLKZIAN-UHFFFAOYSA-N173.4Ex 173.41(BP est) -18.65(MP est) ----(BP exp) ----(MP exp) PC(Br)CBr -18.7PredN
PCC(Br)Br11866219.844C2H5Br2P(2,2-dibromoethyl)phosphaneN105PCC(Br)BrInChI=1S/C2H5Br2P/c3-2(4)1-5/h2H,1,5H2InChIKey=DSTNNXPLSDARII-UHFFFAOYSA-N173.4Ex 173.41(BP est) -18.65(MP est) ----(BP exp) ----(MP exp) PCC(Br)Br -18.7PredN
CPC(Br)Br11867219.844C2H5Br2P(dibromomethyl)(methyl)phosphaneN105CPC(Br)BrInChI=1S/C2H5Br2P/c1-5-2(3)4/h2,5H,1H3InChIKey=YUMRDIXHPSSLET-UHFFFAOYSA-N155.0Ex 154.96(BP est) -32.22(MP est) ----(BP exp) ----(MP exp) CPC(Br)Br -32.2PredN
BrCPCBr11868219.844C2H5Br2Pbis(bromomethyl)phosphaneN105BrCPCBrInChI=1S/C2H5Br2P/c3-1-5-2-4/h5H,1-2H2InChIKey=RSAMNSKFGHJFAF-UHFFFAOYSA-N168.0Ex 167.97(BP est) -20.92(MP est) ----(BP exp) ----(MP exp) BrCPCBr -20.9PredN
C(CC(Br)(Br)F)11869219.879C3H5Br2F1,1-dibromo-1-fluoropropaneN116C(CC(Br)(Br)F)InChI=1S/C3H5Br2F/c1-2-3(4,5)6/h2H2,1H3InChIKey=AFFOKUQXXFCVEE-UHFFFAOYSA-N133.3Ex 133.28(BP est) -31.41(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(Br)F) -31.4PredN
C(C(F)C(Br)Br)11870219.879C3H5Br2F1,1-dibromo-2-fluoropropaneN116C(C(F)C(Br)Br)InChI=1S/C3H5Br2F/c1-2(6)3(4)5/h2-3H,1H3InChIKey=OGLDFXVNPLGHOX-UHFFFAOYSA-N128.6Ex 128.56(BP est) -49.00(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Br)Br) -49PredN
C(F)(CC(Br)Br)11871219.879C3H5Br2F1,1-dibromo-3-fluoropropaneN116C(F)(CC(Br)Br)InChI=1S/C3H5Br2F/c4-3(5)1-2-6/h3H,1-2H2InChIKey=CTUFCYOSTPVTKR-UHFFFAOYSA-N142.2Ex 142.22(BP est) -37.51(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Br)Br) -37.5PredN
C(C(Br)C(Br)F)11872219.879C3H5Br2F1,2-dibromo-1-fluoropropaneN116C(C(Br)C(Br)F)InChI=1S/C3H5Br2F/c1-2(4)3(5)6/h2-3H,1H3InChIKey=HFJXFIRGBIDREH-UHFFFAOYSA-N128.6Ex 128.56(BP est) -49.00(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(Br)F) -49PredN
C(C(Br)(F)CBr)11873219.879C3H5Br2F1,2-dibromo-2-fluoropropaneN116C(C(Br)(F)CBr)InChI=1S/C3H5Br2F/c1-3(5,6)2-4/h2H2,1H3InChIKey=OAXNJJDVYVSRLD-UHFFFAOYSA-N133.3Ex 133.28(BP est) -31.41(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)CBr) -31.4PredN
C(Br)(C(Br)CF)11874219.879C3H5Br2F1,2-dibromo-3-fluoropropaneN116C(Br)(C(Br)CF)InChI=1S/C3H5Br2F/c4-1-3(5)2-6/h3H,1-2H2InChIKey=UWOIAAKWSKTDDO-UHFFFAOYSA-N142.2Ex 142.22(BP est) -37.51(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)CF) -37.5PredN
C(Br)(CC(Br)F)11875219.879C3H5Br2F1,3-dibromo-1-fluoropropaneN116C(Br)(CC(Br)F)InChI=1S/C3H5Br2F/c4-2-1-3(5)6/h3H,1-2H2InChIKey=XAOJMXYMMYAMGL-UHFFFAOYSA-N142.2Ex 142.22(BP est) -37.51(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(Br)F) -37.5PredN
C(Br)(C(F)CBr)11876219.879C3H5Br2F1,3-dibromo-2-fluoropropaneN116C(Br)(C(F)CBr)InChI=1S/C3H5Br2F/c4-1-3(6)2-5/h3H,1-2H2InChIKey=KYIIUMNWPYKBMC-UHFFFAOYSA-N142.2Ex 142.22(BP est) -37.51(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)CBr) -37.5PredN
C(C(Br)(Br)CF)11877219.879C3H5Br2F2,2-dibromo-1-fluoropropaneN116C(C(Br)(Br)CF)InChI=1S/C3H5Br2F/c1-3(4,5)2-6/h2H2,1H3InChIKey=HVCUZKZGXHKFHN-UHFFFAOYSA-N133.3Ex 133.28(BP est) -31.41(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Br)CF) -31.4PredN
CSC(Br)(Br)11878219.922C2H4Br2S(dibromomethyl)(methyl)sulfaneN95CSC(Br)(Br)InChI=1S/C2H4Br2S/c1-5-2(3)4/h2H,1H3InChIKey=DZDYYDOLAROFGR-UHFFFAOYSA-N180.4Ex 180.38(BP est) -15.10(MP est) ----(BP exp) ----(MP exp) CSC(Br)(Br) -15.1PredN
SC(Br)(Br)(C)11879219.922C2H4Br2S1,1-dibromoethane-1-thiolN95SC(Br)(Br)(C)InChI=1S/C2H4Br2S/c1-2(3,4)5/h5H,1H3InChIKey=GCVHJWSIILEJHH-UHFFFAOYSA-N184.6Ex 184.60(BP est) -4.13(MP est) ----(BP exp) ----(MP exp) SC(Br)(Br)(C) -4.1PredN
SC(Br)(CBr)11880219.922C2H4Br2S1,2-dibromoethane-1-thiolN95SC(Br)(CBr)InChI=1S/C2H4Br2S/c3-1-2(4)5/h2,5H,1H2InChIKey=NCMHGCCQVKMSTC-UHFFFAOYSA-N192.7Ex 192.69(BP est) -10.48(MP est) ----(BP exp) ----(MP exp) SC(Br)(CBr) -10.5PredN
SC(C(Br)Br)11881219.922C2H4Br2S2,2-dibromoethane-1-thiolN95SC(C(Br)Br)InChI=1S/C2H4Br2S/c3-2(4)1-5/h2,5H,1H2InChIKey=NYWOXUYUHKNNPF-UHFFFAOYSA-N192.7Ex 192.69(BP est) -10.48(MP est) ----(BP exp) ----(MP exp) SC(C(Br)Br) -10.5PredN
C(Br)SC(Br)11882219.922C2H4Br2Sbis(bromomethyl)sulfaneN95C(Br)SC(Br)InChI=1S/C2H4Br2S/c3-1-5-2-4/h1-2H2InChIKey=QWMKLFPSXWESSN-UHFFFAOYSA-N192.8Ex 192.75(BP est) -3.99(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Br) -4PredN
O=PC(C)(F)I11883219.922C2H3FIOP(1-fluoro-1-iodoethyl)(oxo)phosphaneN96O=PC(C)(F)IInChI=1S/C2H3FIOP/c1-2(3,4)6-5/h1H3InChIKey=MXGMQRXEPCPYIW-UHFFFAOYSA-N171.5Ex 171.45(BP est) -23.48(MP est) ----(BP exp) ----(MP exp) O=PC(C)(F)I -23.5PredN
O=PC(F)CI11884219.922C2H3FIOP(1-fluoro-2-iodoethyl)(oxo)phosphaneN96O=PC(F)CIInChI=1S/C2H3FIOP/c3-2(1-4)6-5/h2H,1H2InChIKey=CAWBNVKKNQQLSO-UHFFFAOYSA-N179.8Ex 179.77(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) O=PC(F)CI -29.8PredN
O=PC(I)CF11886219.922C2H3FIOP(2-fluoro-1-iodoethyl)(oxo)phosphaneN96O=PC(I)CFInChI=1S/C2H3FIOP/c3-1-2(4)6-5/h2H,1H2InChIKey=URJOWJOPUYVWDC-UHFFFAOYSA-N179.8Ex 179.77(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) O=PC(I)CF -29.8PredN
O=PCC(F)I11888219.922C2H3FIOP(2-fluoro-2-iodoethyl)(oxo)phosphaneN96O=PCC(F)IInChI=1S/C2H3FIOP/c3-2(4)1-6-5/h2H,1H2InChIKey=NLZUUJPCVYSBTQ-UHFFFAOYSA-N179.8Ex 179.77(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) O=PCC(F)I -29.8PredN
O=P1C(I)(F)C111891219.922C2H3FIOP2-fluoro-2-iodophosphirane 1-oxideN96O=P1C(I)(F)C1InChI=1S/C2H3FIOP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=CCTPLQJVYPSCTB-UHFFFAOYSA-N181.0Ex 181.04(BP est) -7.40(MP est) ----(BP exp) ----(MP exp) O=P1C(I)(F)C1 -7.4PredN
O=P1C(F)C1I11893219.922C2H3FIOP2-fluoro-3-iodophosphirane 1-oxideN96O=P1C(F)C1IInChI=1S/C2H3FIOP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=JYBNKZUEKINVOB-UHFFFAOYSA-N186.0Ex 185.95(BP est) -20.04(MP est) ----(BP exp) ----(MP exp) O=P1C(F)C1I -20PredN
O=P(C(I)C)O11894219.946C2H6IO2P(1-iodoethyl)phosphinic acidN126O=P(C(I)C)OInChI=1S/C2H6IO2P/c1-2(3)6(4)5/h2,6H,1H3,(H,4,5)InChIKey=UCHALQJWJXEJTG-UHFFFAOYSA-N260.7Ex 260.72(BP est) 15.80(MP est) ----(BP exp) ----(MP exp) O=P(C(I)C)O 15.8PredN
O=P(CCI)O11895219.946C2H6IO2P(2-iodoethyl)phosphinic acidN126O=P(CCI)OInChI=1S/C2H6IO2P/c3-1-2-6(4)5/h6H,1-2H2,(H,4,5)InChIKey=YFXHHPOLYJVIOC-UHFFFAOYSA-N270.8Ex 270.77(BP est) 26.23(MP est) ----(BP exp) ----(MP exp) O=P(CCI)O 26.2PredN
O=P(O)(C)CI11896219.946C2H6IO2P(iodomethyl)(methyl)phosphinic acidN126O=P(O)(C)CIInChI=1S/C2H6IO2P/c1-6(4,5)2-3/h2H2,1H3,(H,4,5)InChIKey=MHOXFIPHEBQONJ-UHFFFAOYSA-N269.3Ex 269.25(BP est) 17.60(MP est) ----(BP exp) ----(MP exp) O=P(O)(C)CI 17.6PredN
O=P(CI)OC11897219.946C2H6IO2Pmethyl (iodomethyl)phosphinateN126O=P(CI)OCInChI=1S/C2H6IO2P/c1-5-6(4)2-3/h6H,2H2,1H3InChIKey=AJRTXOXEDWXBRI-UHFFFAOYSA-N209.0Ex 209.02(BP est) -11.09(MP est) ----(BP exp) ----(MP exp) O=P(CI)OC -11.1PredN
CPC(C)(F)I11899219.966C3H7FIP(1-fluoro-1-iodoethyl)(methyl)phosphaneN136CPC(C)(F)IInChI=1S/C3H7FIP/c1-3(4,5)6-2/h6H,1-2H3InChIKey=JAVXZWWJSVLCIH-UHFFFAOYSA-N130.8Ex 130.84(BP est) -55.39(MP est) ----(BP exp) ----(MP exp) CPC(C)(F)I -55.4PredN
PC(CC)(F)I11900219.966C3H7FIP(1-fluoro-1-iodopropyl)phosphaneN136PC(CC)(F)IInChI=1S/C3H7FIP/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=UPZPWZYAAJDQSK-UHFFFAOYSA-N150.1Ex 150.13(BP est) -41.58(MP est) ----(BP exp) ----(MP exp) PC(CC)(F)I -41.6PredN
CPC(F)CI11901219.966C3H7FIP(1-fluoro-2-iodoethyl)(methyl)phosphaneN136CPC(F)CIInChI=1S/C3H7FIP/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=HKFCZCGRMCCQII-UHFFFAOYSA-N139.8Ex 139.82(BP est) -61.48(MP est) ----(BP exp) ----(MP exp) CPC(F)CI -61.5PredN
PC(F)C(I)C11902219.966C3H7FIP(1-fluoro-2-iodopropyl)phosphaneN136PC(F)C(I)CInChI=1S/C3H7FIP/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=VMAGCRRMMCMJLM-UHFFFAOYSA-N145.6Ex 145.55(BP est) -59.12(MP est) ----(BP exp) ----(MP exp) PC(F)C(I)C -59.1PredN
PC(F)CCI11903219.966C3H7FIP(1-fluoro-3-iodopropyl)phosphaneN136PC(F)CCIInChI=1S/C3H7FIP/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=VTUOZJQWJKIYGY-UHFFFAOYSA-N158.8Ex 158.80(BP est) -47.75(MP est) ----(BP exp) ----(MP exp) PC(F)CCI -47.8PredN
ICPC(F)C11904219.966C3H7FIP(1-fluoroethyl)(iodomethyl)phosphaneN136ICPC(F)CInChI=1S/C3H7FIP/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=WRXGLMRTTZZFHA-UHFFFAOYSA-N139.8Ex 139.82(BP est) -61.48(MP est) ----(BP exp) ----(MP exp) ICPC(F)C -61.5PredN
CPC(I)CF11905219.966C3H7FIP(2-fluoro-1-iodoethyl)(methyl)phosphaneN136CPC(I)CFInChI=1S/C3H7FIP/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=RSBGMOKQQKLYMK-UHFFFAOYSA-N139.8Ex 139.82(BP est) -61.48(MP est) ----(BP exp) ----(MP exp) CPC(I)CF -61.5PredN
PC(I)C(F)C11906219.966C3H7FIP(2-fluoro-1-iodopropyl)phosphaneN136PC(I)C(F)CInChI=1S/C3H7FIP/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=GNMVEPGQTONDKV-UHFFFAOYSA-N145.6Ex 145.55(BP est) -59.12(MP est) ----(BP exp) ----(MP exp) PC(I)C(F)C -59.1PredN
CPCC(F)I11907219.966C3H7FIP(2-fluoro-2-iodoethyl)(methyl)phosphaneN136CPCC(F)IInChI=1S/C3H7FIP/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=NZGMMUQQHNZSHQ-UHFFFAOYSA-N139.8Ex 139.82(BP est) -61.48(MP est) ----(BP exp) ----(MP exp) CPCC(F)I -61.5PredN
PCC(C)(F)I11908219.966C3H7FIP(2-fluoro-2-iodopropyl)phosphaneN136PCC(C)(F)IInChI=1S/C3H7FIP/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=RNWRTQSRTIZJQK-UHFFFAOYSA-N150.1Ex 150.13(BP est) -41.58(MP est) ----(BP exp) ----(MP exp) PCC(C)(F)I -41.6PredN
PCC(F)CI11909219.966C3H7FIP(2-fluoro-3-iodopropyl)phosphaneN136PCC(F)CIInChI=1S/C3H7FIP/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=FKRMXBKXSMHEEC-UHFFFAOYSA-N158.8Ex 158.80(BP est) -47.75(MP est) ----(BP exp) ----(MP exp) PCC(F)CI -47.8PredN
ICPCCF11910219.966C3H7FIP(2-fluoroethyl)(iodomethyl)phosphaneN136ICPCCFInChI=1S/C3H7FIP/c4-1-2-6-3-5/h6H,1-3H2InChIKey=QCPHNUFSHPVSPY-UHFFFAOYSA-N153.2Ex 153.21(BP est) -50.07(MP est) ----(BP exp) ----(MP exp) ICPCCF -50.1PredN
PC(I)CCF11911219.966C3H7FIP(3-fluoro-1-iodopropyl)phosphaneN136PC(I)CCFInChI=1S/C3H7FIP/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=TZWXKOAUMVNGGC-UHFFFAOYSA-N158.8Ex 158.80(BP est) -47.75(MP est) ----(BP exp) ----(MP exp) PC(I)CCF -47.8PredN
PCC(I)CF11912219.966C3H7FIP(3-fluoro-2-iodopropyl)phosphaneN136PCC(I)CFInChI=1S/C3H7FIP/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=XKWRCIPKSFNSSU-UHFFFAOYSA-N158.8Ex 158.80(BP est) -47.75(MP est) ----(BP exp) ----(MP exp) PCC(I)CF -47.8PredN
PCCC(F)I11913219.966C3H7FIP(3-fluoro-3-iodopropyl)phosphaneN136PCCC(F)IInChI=1S/C3H7FIP/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=LSYUEWOSKOAHQS-UHFFFAOYSA-N158.8Ex 158.80(BP est) -47.75(MP est) ----(BP exp) ----(MP exp) PCCC(F)I -47.8PredN
CP(C)C(F)I11914219.966C3H7FIP(fluoroiodomethyl)dimethylphosphaneN136CP(C)C(F)IInChI=1S/C3H7FIP/c1-6(2)3(4)5/h3H,1-2H3InChIKey=WRGJVUUALTVHNB-UHFFFAOYSA-N140.7Ex 140.72(BP est) -61.90(MP est) ----(BP exp) ----(MP exp) CP(C)C(F)I -61.9PredN
FCPC(I)C11915219.966C3H7FIP(fluoromethyl)(1-iodoethyl)phosphaneN136FCPC(I)CInChI=1S/C3H7FIP/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=CHHRRSRSUDQVEH-UHFFFAOYSA-N139.8Ex 139.82(BP est) -61.48(MP est) ----(BP exp) ----(MP exp) FCPC(I)C -61.5PredN
FCPCCI11916219.966C3H7FIP(fluoromethyl)(2-iodoethyl)phosphaneN136FCPCCIInChI=1S/C3H7FIP/c4-3-6-2-1-5/h6H,1-3H2InChIKey=VAKAHAUXTQSWLB-UHFFFAOYSA-N153.2Ex 153.21(BP est) -50.07(MP est) ----(BP exp) ----(MP exp) FCPCCI -50.1PredN
CP(CI)CF11917219.966C3H7FIP(fluoromethyl)(iodomethyl)(methyl)phosphaneN136CP(CI)CFInChI=1S/C3H7FIP/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=XIDKQWWWVYJYOH-UHFFFAOYSA-N154.1Ex 154.08(BP est) -50.50(MP est) ----(BP exp) ----(MP exp) CP(CI)CF -50.5PredN
FC(PCC)I11918219.966C3H7FIPethyl(fluoroiodomethyl)phosphaneN136FC(PCC)IInChI=1S/C3H7FIP/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=WABUKVMSGYAPFG-UHFFFAOYSA-N139.8Ex 139.82(BP est) -61.48(MP est) ----(BP exp) ----(MP exp) FC(PCC)I -61.5PredN
F[Si]1(CC1I)F11919220.032C2H3F2ISi1,1-difluoro-2-iodosiliraneN96F[Si]1(CC1I)FInChI=1S/C2H3F2ISi/c3-6(4)1-2(6)5/h2H,1H2InChIKey=CWJKKFIWLXYSBV-UHFFFAOYSA-N80.8Ex 80.78(BP est) -28.90(MP est) ----(BP exp) ----(MP exp) F[Si]1(CC1I)F -28.9PredN
CSC(F)(I)(C)11920220.044C3H6FIS(1-fluoro-1-iodoethyl)(methyl)sulfaneN126CSC(F)(I)(C)InChI=1S/C3H6FIS/c1-3(4,5)6-2/h1-2H3InChIKey=DNMPKNMGWOEQOY-UHFFFAOYSA-N157.4Ex 157.43(BP est) -37.93(MP est) ----(BP exp) ----(MP exp) CSC(F)(I)(C) -37.9PredN
CSC(F)(CI)11921220.044C3H6FIS(1-fluoro-2-iodoethyl)(methyl)sulfaneN126CSC(F)(CI)InChI=1S/C3H6FIS/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=DAWFDCWJJVXCFV-UHFFFAOYSA-N166.0Ex 165.98(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) CSC(F)(CI) -44.1PredN
C(I)SC(F)(C)11922220.044C3H6FIS(1-fluoroethyl)(iodomethyl)sulfaneN126C(I)SC(F)(C)InChI=1S/C3H6FIS/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=QOUCXLMEKJSEOD-UHFFFAOYSA-N166.0Ex 165.98(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) C(I)SC(F)(C) -44.1PredN
CSC(I)(CF)11923220.044C3H6FIS(2-fluoro-1-iodoethyl)(methyl)sulfaneN126CSC(I)(CF)InChI=1S/C3H6FIS/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=PWDFGXDHLYVQTC-UHFFFAOYSA-N166.0Ex 165.98(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) CSC(I)(CF) -44.1PredN
CSC(C(F)I)11924220.044C3H6FIS(2-fluoro-2-iodoethyl)(methyl)sulfaneN126CSC(C(F)I)InChI=1S/C3H6FIS/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=FOGQQVFYXYUPCU-UHFFFAOYSA-N166.0Ex 165.98(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) CSC(C(F)I) -44.1PredN
C(I)SC(CF)11925220.044C3H6FIS(2-fluoroethyl)(iodomethyl)sulfaneN126C(I)SC(CF)InChI=1S/C3H6FIS/c4-1-2-6-3-5/h1-3H2InChIKey=MYPYKFFPENWCGF-UHFFFAOYSA-N178.7Ex 178.72(BP est) -32.92(MP est) ----(BP exp) ----(MP exp) C(I)SC(CF) -32.9PredN
C(F)SC(I)(C)11926220.044C3H6FIS(fluoromethyl)(1-iodoethyl)sulfaneN126C(F)SC(I)(C)InChI=1S/C3H6FIS/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=RLJIRWFLLKRYLI-UHFFFAOYSA-N166.0Ex 165.98(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) C(F)SC(I)(C) -44.1PredN
C(F)SC(CI)11927220.044C3H6FIS(fluoromethyl)(2-iodoethyl)sulfaneN126C(F)SC(CI)InChI=1S/C3H6FIS/c4-3-6-2-1-5/h1-3H2InChIKey=MDTFUIJXWKAWNF-UHFFFAOYSA-N178.7Ex 178.72(BP est) -32.92(MP est) ----(BP exp) ----(MP exp) C(F)SC(CI) -32.9PredN
SC(F)(I)(CC)11928220.044C3H6FIS1-fluoro-1-iodopropane-1-thiolN126SC(F)(I)(CC)InChI=1S/C3H6FIS/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=VLPNPYQEEJULKJ-UHFFFAOYSA-N170.3Ex 170.32(BP est) -33.14(MP est) ----(BP exp) ----(MP exp) SC(F)(I)(CC) -33.1PredN
SC(C)(C(F)I)11929220.044C3H6FIS1-fluoro-1-iodopropane-2-thiolN126SC(C)(C(F)I)InChI=1S/C3H6FIS/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=CHZGWYNHASHINJ-UHFFFAOYSA-N165.9Ex 165.92(BP est) -50.63(MP est) ----(BP exp) ----(MP exp) SC(C)(C(F)I) -50.6PredN
SC(F)(C(I)C)11930220.044C3H6FIS1-fluoro-2-iodopropane-1-thiolN126SC(F)(C(I)C)InChI=1S/C3H6FIS/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=NJJZTEBDWXMHFN-UHFFFAOYSA-N165.9Ex 165.92(BP est) -50.63(MP est) ----(BP exp) ----(MP exp) SC(F)(C(I)C) -50.6PredN
SC(I)(C)(CF)11931220.044C3H6FIS1-fluoro-2-iodopropane-2-thiolN126SC(I)(C)(CF)InChI=1S/C3H6FIS/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=LNBISZGQBLWTBQ-UHFFFAOYSA-N170.3Ex 170.32(BP est) -33.14(MP est) ----(BP exp) ----(MP exp) SC(I)(C)(CF) -33.1PredN
SC(F)(CCI)11932220.044C3H6FIS1-fluoro-3-iodopropane-1-thiolN126SC(F)(CCI)InChI=1S/C3H6FIS/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=DPGMPHTZMDLWNM-UHFFFAOYSA-N178.7Ex 178.66(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) SC(F)(CCI) -39.4PredN
SC(CI)(CF)11933220.044C3H6FIS1-fluoro-3-iodopropane-2-thiolN126SC(CI)(CF)InChI=1S/C3H6FIS/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=AEMQHEOKBOZBKF-UHFFFAOYSA-N178.7Ex 178.66(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) SC(CI)(CF) -39.4PredN
SC(I)(C(F)C)11934220.044C3H6FIS2-fluoro-1-iodopropane-1-thiolN126SC(I)(C(F)C)InChI=1S/C3H6FIS/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=OWOSSDGARXXQBU-UHFFFAOYSA-N165.9Ex 165.92(BP est) -50.63(MP est) ----(BP exp) ----(MP exp) SC(I)(C(F)C) -50.6PredN
SC(F)(C)(CI)11935220.044C3H6FIS2-fluoro-1-iodopropane-2-thiolN126SC(F)(C)(CI)InChI=1S/C3H6FIS/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=UQCOQYAKXFKJFH-UHFFFAOYSA-N170.3Ex 170.32(BP est) -33.14(MP est) ----(BP exp) ----(MP exp) SC(F)(C)(CI) -33.1PredN
SC(C(F)(I)C)11936220.044C3H6FIS2-fluoro-2-iodopropane-1-thiolN126SC(C(F)(I)C)InChI=1S/C3H6FIS/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=LIMVNHRTPRCCJR-UHFFFAOYSA-N170.3Ex 170.32(BP est) -33.14(MP est) ----(BP exp) ----(MP exp) SC(C(F)(I)C) -33.1PredN
SC(C(F)CI)11937220.044C3H6FIS2-fluoro-3-iodopropane-1-thiolN126SC(C(F)CI)InChI=1S/C3H6FIS/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=PMFZOECFYFZGPE-UHFFFAOYSA-N178.7Ex 178.66(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) SC(C(F)CI) -39.4PredN
SC(I)(CCF)11938220.044C3H6FIS3-fluoro-1-iodopropane-1-thiolN126SC(I)(CCF)InChI=1S/C3H6FIS/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=BFWWTJWDBAQBBV-UHFFFAOYSA-N178.7Ex 178.66(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) SC(I)(CCF) -39.4PredN
SC(C(I)CF)11939220.044C3H6FIS3-fluoro-2-iodopropane-1-thiolN126SC(C(I)CF)InChI=1S/C3H6FIS/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=IWZNADNRVRIAMO-UHFFFAOYSA-N178.7Ex 178.66(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) SC(C(I)CF) -39.4PredN
SC(CC(F)I)11940220.044C3H6FIS3-fluoro-3-iodopropane-1-thiolN126SC(CC(F)I)InChI=1S/C3H6FIS/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=ORFGZEQFQDVOEC-UHFFFAOYSA-N178.7Ex 178.66(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) SC(CC(F)I) -39.4PredN
C(F)(I)SC(C)11941220.044C3H6FISethyl(fluoroiodomethyl)sulfaneN126C(F)(I)SC(C)InChI=1S/C3H6FIS/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=UGNNZLFPWOAKRZ-UHFFFAOYSA-N166.0Ex 165.98(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) C(F)(I)SC(C) -44.1PredN
CSSC(I)11943220.086C2H5IS21-(iodomethyl)-2-methyldisulfaneN105CSSC(I)InChI=1S/C2H5IS2/c1-4-5-2-3/h2H2,1H3InChIKey=ASJBQZSOLRCSQX-UHFFFAOYSA-N214.2Ex 214.18(BP est) -11.30(MP est) ----(BP exp) ----(MP exp) CSSC(I) -11.3PredN
C(Cl)=C(Br)(Br)11944220.288C2HBr2Cl1,1-dibromo-2-chloroetheneN65C(Cl)=C(Br)(Br)InChI=1S/C2HBr2Cl/c3-2(4)1-5/h1HInChIKey=DJSKFSCGZFZIFL-UHFFFAOYSA-N165.0Ex 165.00(BP est) -23.85(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(Br)(Br) -23.9PredY(Nightingale et al. 1995)
C(Br)=C(Br)(Cl)11945220.288C2HBr2Cl1,2-dibromo-1-chloroetheneN65C(Br)=C(Br)(Cl)InChI=1S/C2HBr2Cl/c3-1-2(4)5/h1HInChIKey=RKYPQGRHRHENAP-UHFFFAOYSA-N165.0Ex 165.00(BP est) -23.85(MP est) ----(BP exp) ----(MP exp) C(Br)=C(Br)(Cl) -23.9PredN
PC(Cl)=CI11946220.374C2H3ClIP(1-chloro-2-iodovinyl)phosphaneN85PC(Cl)=CIInChI=1S/C2H3ClIP/c3-2(5)1-4/h1H,5H2InChIKey=AAODIOWDCFFWIU-UHFFFAOYSA-N180.9Ex 180.87(BP est) -34.30(MP est) ----(BP exp) ----(MP exp) PC(Cl)=CI -34.3PredN
PC(I)=CCl11947220.374C2H3ClIP(2-chloro-1-iodovinyl)phosphaneN85PC(I)=CClInChI=1S/C2H3ClIP/c3-1-2(4)5/h1H,5H2InChIKey=VASCQAMCBAEPPF-UHFFFAOYSA-N180.9Ex 180.87(BP est) -34.30(MP est) ----(BP exp) ----(MP exp) PC(I)=CCl -34.3PredN
PC=C(Cl)I11948220.374C2H3ClIP(2-chloro-2-iodovinyl)phosphaneN85PC=C(Cl)IInChI=1S/C2H3ClIP/c3-2(4)1-5/h1H,5H2InChIKey=FIQMNNIDIORPNY-UHFFFAOYSA-N180.9Ex 180.87(BP est) -34.30(MP est) ----(BP exp) ----(MP exp) PC=C(Cl)I -34.3PredN
ClC1(I)CP111949220.374C2H3ClIP2-chloro-2-iodophosphiraneN85ClC1(I)CP1InChI=1S/C2H3ClIP/c3-2(4)1-5-2/h5H,1H2InChIKey=ARIBTBBDYAOFCC-UHFFFAOYSA-N154.1Ex 154.11(BP est) -18.10(MP est) ----(BP exp) ----(MP exp) ClC1(I)CP1 -18.1PredN
ClC1C(I)P111950220.374C2H3ClIP2-chloro-3-iodophosphiraneN85ClC1C(I)P1InChI=1S/C2H3ClIP/c3-1-2(4)5-1/h1-2,5HInChIKey=ZBAREJWQAXQELL-UHFFFAOYSA-N171.0Ex 170.96(BP est) -27.25(MP est) ----(BP exp) ----(MP exp) ClC1C(I)P1 -27.3PredN
ClC(I)C(O)=O11951220.39C2H2ClIO22-chloro-2-iodoacetic acidN86ClC(I)C(O)=OInChI=1S/C2H2ClIO2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=ORHUCRGLFVRTJV-UHFFFAOYSA-N249.2Ex 249.17(BP est) 45.46(MP est) ----(BP exp) ----(MP exp) ClC(I)C(O)=O 45.5PredY(Kladi et al. 2004)
C(C1I)(C1(Cl)F)11952220.41C3H3ClFI1-chloro-1-fluoro-2-iodocyclopropaneN96C(C1I)(C1(Cl)F)InChI=1S/C3H3ClFI/c4-3(5)1-2(3)6/h2H,1H2InChIKey=RQJFGWVABXPJMX-UHFFFAOYSA-N136.9Ex 136.89(BP est) -28.58(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1(Cl)F) -28.6PredN
C(C(I)=C(Cl)F)11953220.41C3H3ClFI1-chloro-1-fluoro-2-iodoprop-1-eneN96C(C(I)=C(Cl)F)InChI=1S/C3H3ClFI/c1-2(6)3(4)5/h1H3InChIKey=PWIMMVRUQORBPK-UHFFFAOYSA-N144.1Ex 144.09(BP est) -61.77(MP est) ----(BP exp) ----(MP exp) C(C(I)=C(Cl)F) -61.8PredN
C(I)(C=C(Cl)F)11954220.41C3H3ClFI1-chloro-1-fluoro-3-iodoprop-1-eneN96C(I)(C=C(Cl)F)InChI=1S/C3H3ClFI/c4-3(5)1-2-6/h1H,2H2InChIKey=PFHIRURXWGBKFD-UHFFFAOYSA-N150.1Ex 150.14(BP est) -53.03(MP est) ----(BP exp) ----(MP exp) C(I)(C=C(Cl)F) -53PredN
C(C1F)(C1(Cl)I)11955220.41C3H3ClFI1-chloro-2-fluoro-1-iodocyclopropaneN96C(C1F)(C1(Cl)I)InChI=1S/C3H3ClFI/c4-3(6)1-2(3)5/h2H,1H2InChIKey=ULYWHXDGHNBNTN-UHFFFAOYSA-N136.9Ex 136.89(BP est) -28.58(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(Cl)I) -28.6PredN
C(C(F)=C(Cl)I)11956220.41C3H3ClFI1-chloro-2-fluoro-1-iodoprop-1-eneN96C(C(F)=C(Cl)I)InChI=1S/C3H3ClFI/c1-2(5)3(4)6/h1H3InChIKey=YRRAUVHCCSDSIK-UHFFFAOYSA-N144.1Ex 144.09(BP est) -61.77(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(Cl)I) -61.8PredN
C(Cl)(C1I)(C1F)11957220.41C3H3ClFI1-chloro-2-fluoro-3-iodocyclopropaneN96C(Cl)(C1I)(C1F)InChI=1S/C3H3ClFI/c4-1-2(5)3(1)6/h1-3HInChIKey=RRBUETWHDNKMTG-UHFFFAOYSA-N154.3Ex 154.28(BP est) -37.57(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1I)(C1F) -37.6PredN
C(I)(C(F)=CCl)11958220.41C3H3ClFI1-chloro-2-fluoro-3-iodoprop-1-eneN96C(I)(C(F)=CCl)InChI=1S/C3H3ClFI/c4-1-3(5)2-6/h1H,2H2InChIKey=FKRUFYFGVOYNDN-UHFFFAOYSA-N150.1Ex 150.14(BP est) -53.03(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)=CCl) -53PredN
C(F)(C=C(Cl)I)11959220.41C3H3ClFI1-chloro-3-fluoro-1-iodoprop-1-eneN96C(F)(C=C(Cl)I)InChI=1S/C3H3ClFI/c4-3(6)1-2-5/h1H,2H2InChIKey=ZAFPOVHQFOERAJ-UHFFFAOYSA-N150.1Ex 150.14(BP est) -53.03(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(Cl)I) -53PredN
C(F)(C(I)=CCl)11960220.41C3H3ClFI1-chloro-3-fluoro-2-iodoprop-1-eneN96C(F)(C(I)=CCl)InChI=1S/C3H3ClFI/c4-1-3(6)2-5/h1H,2H2InChIKey=UCDCPSOQWUOJLO-UHFFFAOYSA-N150.1Ex 150.14(BP est) -53.03(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)=CCl) -53PredN
C(F)(I)(C=CCl)11961220.41C3H3ClFI1-chloro-3-fluoro-3-iodoprop-1-eneN96C(F)(I)(C=CCl)InChI=1S/C3H3ClFI/c4-2-1-3(5)6/h1-3HInChIKey=PQFNTIFKHRASPN-UHFFFAOYSA-N142.8Ex 142.82(BP est) -55.69(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C=CCl) -55.7PredN
C(C1Cl)(C1(F)I)11962220.41C3H3ClFI2-chloro-1-fluoro-1-iodocyclopropaneN96C(C1Cl)(C1(F)I)InChI=1S/C3H3ClFI/c4-2-1-3(2,5)6/h2H,1H2InChIKey=ADFFSSPNCVKRKE-UHFFFAOYSA-N149.1Ex 149.05(BP est) -25.03(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1(F)I) -25PredN
C(C(Cl)=C(F)I)11963220.41C3H3ClFI2-chloro-1-fluoro-1-iodoprop-1-eneN96C(C(Cl)=C(F)I)InChI=1S/C3H3ClFI/c1-2(4)3(5)6/h1H3InChIKey=NJOAVFOANNWHRO-UHFFFAOYSA-N144.1Ex 144.09(BP est) -61.77(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=C(F)I) -61.8PredN
C(I)(C(Cl)=CF)11964220.41C3H3ClFI2-chloro-1-fluoro-3-iodoprop-1-eneN96C(I)(C(Cl)=CF)InChI=1S/C3H3ClFI/c4-3(1-5)2-6/h1H,2H2InChIKey=IXDVNPDQODZSRR-UHFFFAOYSA-N150.1Ex 150.14(BP est) -53.03(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)=CF) -53PredN
C(F)(C(Cl)=CI)11965220.41C3H3ClFI2-chloro-3-fluoro-1-iodoprop-1-eneN96C(F)(C(Cl)=CI)InChI=1S/C3H3ClFI/c4-3(1-5)2-6/h2H,1H2InChIKey=OMMCHQFQHRGHJR-UHFFFAOYSA-N150.1Ex 150.14(BP est) -53.03(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)=CI) -53PredN
C(F)(I)(C(Cl)=C)11966220.41C3H3ClFI2-chloro-3-fluoro-3-iodoprop-1-eneN96C(F)(I)(C(Cl)=C)InChI=1S/C3H3ClFI/c1-2(4)3(5)6/h3H,1H2InChIKey=XKWIMTVVBQCJOF-UHFFFAOYSA-N128.0Ex 127.97(BP est) -65.34(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C(Cl)=C) -65.3PredN
C(Cl)(C=C(F)I)11967220.41C3H3ClFI3-chloro-1-fluoro-1-iodoprop-1-eneN96C(Cl)(C=C(F)I)InChI=1S/C3H3ClFI/c4-2-1-3(5)6/h1H,2H2InChIKey=VARKIXWRWIWOAE-UHFFFAOYSA-N175.5Ex 175.52(BP est) -45.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(F)I) -45.6PredN
C(Cl)(C(I)=CF)11968220.41C3H3ClFI3-chloro-1-fluoro-2-iodoprop-1-eneN96C(Cl)(C(I)=CF)InChI=1S/C3H3ClFI/c4-1-3(6)2-5/h2H,1H2InChIKey=DGRUSZSNJIAVEO-UHFFFAOYSA-N175.5Ex 175.52(BP est) -45.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)=CF) -45.6PredN
C(Cl)(I)(C=CF)11969220.41C3H3ClFI3-chloro-1-fluoro-3-iodoprop-1-eneN96C(Cl)(I)(C=CF)InChI=1S/C3H3ClFI/c4-3(6)1-2-5/h1-3HInChIKey=IXPCGCIGCOJUFM-UHFFFAOYSA-N156.8Ex 156.79(BP est) -51.61(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C=CF) -51.6PredN
C(Cl)(C(F)=CI)11970220.41C3H3ClFI3-chloro-2-fluoro-1-iodoprop-1-eneN96C(Cl)(C(F)=CI)InChI=1S/C3H3ClFI/c4-1-3(5)2-6/h2H,1H2InChIKey=WDRUEDNCTFCMHK-UHFFFAOYSA-N175.5Ex 175.52(BP est) -45.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)=CI) -45.6PredN
C(Cl)(I)(C(F)=C)11971220.41C3H3ClFI3-chloro-2-fluoro-3-iodoprop-1-eneN96C(Cl)(I)(C(F)=C)InChI=1S/C3H3ClFI/c1-2(5)3(4)6/h3H,1H2InChIKey=WJQBEMDERYHHIH-UHFFFAOYSA-N142.3Ex 142.31(BP est) -61.15(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C(F)=C) -61.2PredN
C(Cl)(F)(C=CI)11972220.41C3H3ClFI3-chloro-3-fluoro-1-iodoprop-1-eneN96C(Cl)(F)(C=CI)InChI=1S/C3H3ClFI/c4-3(5)1-2-6/h1-3HInChIKey=ZFFYNYYINNQJDS-UHFFFAOYSA-N156.8Ex 156.79(BP est) -51.61(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C=CI) -51.6PredN
C(Cl)(F)(C(I)=C)11973220.41C3H3ClFI3-chloro-3-fluoro-2-iodoprop-1-eneN96C(Cl)(F)(C(I)=C)InChI=1S/C3H3ClFI/c1-2(6)3(4)5/h3H,1H2InChIKey=MLNZUPBZNMFRKB-UHFFFAOYSA-N142.3Ex 142.31(BP est) -61.15(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(I)=C) -61.2PredN
C(Cl)(F)(I)(C=C)11974220.41C3H3ClFI3-chloro-3-fluoro-3-iodoprop-1-eneN96C(Cl)(F)(I)(C=C)InChI=1S/C3H3ClFI/c1-2-3(4,5)6/h2H,1H2InChIKey=DGYCWFPYCUISJM-UHFFFAOYSA-N127.2Ex 127.17(BP est) -49.88(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(I)(C=C) -49.9PredN
C(Cl)(I)OC(C)11975220.434C3H6ClIO(chloroiodomethoxy)ethaneN126C(Cl)(I)OC(C)InChI=1S/C3H6ClIO/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=MCUCSDWQZKXDIN-UHFFFAOYSA-N170.4Ex 170.40(BP est) -34.27(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)OC(C) -34.3PredN
C(Cl)OC(I)(C)11976220.434C3H6ClIO1-(chloromethoxy)-1-iodoethaneN126C(Cl)OC(I)(C)InChI=1S/C3H6ClIO/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=WXTUKILJFZBIKS-UHFFFAOYSA-N181.8Ex 181.84(BP est) -30.93(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(I)(C) -30.9PredN
C(Cl)OC(CI)11977220.434C3H6ClIO1-(chloromethoxy)-2-iodoethaneN126C(Cl)OC(CI)InChI=1S/C3H6ClIO/c4-3-6-2-1-5/h1-3H2InChIKey=VOZHBPDADXQWEK-UHFFFAOYSA-N194.2Ex 194.17(BP est) -19.83(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(CI) -19.8PredN
C(I)OC(Cl)(C)11978220.434C3H6ClIO1-chloro-1-(iodomethoxy)ethaneN126C(I)OC(Cl)(C)InChI=1S/C3H6ClIO/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=ASQMLJSKROSITG-UHFFFAOYSA-N170.4Ex 170.40(BP est) -34.27(MP est) ----(BP exp) ----(MP exp) C(I)OC(Cl)(C) -34.3PredN
COC(I)(C)Cl11979220.434C3H6ClIO1-chloro-1-iodo-1-methoxyethaneN126COC(I)(C)ClInChI=1S/C3H6ClIO/c1-3(4,5)6-2/h1-2H3InChIKey=WEBDLQZFNLIPME-UHFFFAOYSA-N150.0Ex 150.04(BP est) -31.51(MP est) ----(BP exp) ----(MP exp) COC(I)(C)Cl -31.5PredN
COC(C(Cl)I)11980220.434C3H6ClIO1-chloro-1-iodo-2-methoxyethaneN126COC(C(Cl)I)InChI=1S/C3H6ClIO/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=OYWPNPQITVPJKB-UHFFFAOYSA-N170.4Ex 170.40(BP est) -34.27(MP est) ----(BP exp) ----(MP exp) COC(C(Cl)I) -34.3PredN
OC(CC)(Cl)(I)11981220.434C3H6ClIO1-chloro-1-iodopropan-1-olN126OC(CC)(Cl)(I)InChI=1S/C3H6ClIO/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=CABFGDAZBRMVBA-UHFFFAOYSA-N190.7Ex 190.65(BP est) -0.35(MP est) ----(BP exp) ----(MP exp) OC(CC)(Cl)(I) -0.4PredN
OC(C)(C(Cl)I)11982220.434C3H6ClIO1-chloro-1-iodopropan-2-olN126OC(C)(C(Cl)I)InChI=1S/C3H6ClIO/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=VFKFGEWPZBAUFN-UHFFFAOYSA-N206.7Ex 206.72(BP est) -11.87(MP est) ----(BP exp) ----(MP exp) OC(C)(C(Cl)I) -11.9PredN
C(I)OC(CCl)11983220.434C3H6ClIO1-chloro-2-(iodomethoxy)ethaneN126C(I)OC(CCl)InChI=1S/C3H6ClIO/c4-1-2-6-3-5/h1-3H2InChIKey=UCIOIGATGXMCKC-UHFFFAOYSA-N194.2Ex 194.17(BP est) -19.83(MP est) ----(BP exp) ----(MP exp) C(I)OC(CCl) -19.8PredN
COC(Cl)(CI)11984220.434C3H6ClIO1-chloro-2-iodo-1-methoxyethaneN126COC(Cl)(CI)InChI=1S/C3H6ClIO/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=BEGCQPNAGJYTHE-UHFFFAOYSA-N170.4Ex 170.40(BP est) -34.27(MP est) ----(BP exp) ----(MP exp) COC(Cl)(CI) -34.3PredN
OC(C(I)C)(Cl)11985220.434C3H6ClIO1-chloro-2-iodopropan-1-olN126OC(C(I)C)(Cl)InChI=1S/C3H6ClIO/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=ORYZDQYHBIGPHR-UHFFFAOYSA-N206.7Ex 206.72(BP est) -11.87(MP est) ----(BP exp) ----(MP exp) OC(C(I)C)(Cl) -11.9PredN
OC(C)(I)(CCl)11986220.434C3H6ClIO1-chloro-2-iodopropan-2-olN126OC(C)(I)(CCl)InChI=1S/C3H6ClIO/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=MWFCEYUPXCDBKB-UHFFFAOYSA-N212.3Ex 212.28(BP est) 5.96(MP est) ----(BP exp) ----(MP exp) OC(C)(I)(CCl) 6PredN
OC(CCl)CI11987220.434C3H6ClIO1-chloro-3-iodopropan-2-olN126OC(CCl)CIInChI=1S/C3H6ClIO/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=NNKLXTNMYBPXIB-UHFFFAOYSA-N228.6Ex 228.64(BP est) 2.03(MP est) ----(BP exp) ----(MP exp) OC(CCl)CI 2PredY(Kladi et al. 2004)
COC(I)(CCl)11988220.434C3H6ClIO2-chloro-1-iodo-1-methoxyethaneN126COC(I)(CCl)InChI=1S/C3H6ClIO/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=QOSBVVBXRSTDQO-UHFFFAOYSA-N181.8Ex 181.84(BP est) -30.93(MP est) ----(BP exp) ----(MP exp) COC(I)(CCl) -30.9PredN
OC(C(Cl)C)(I)11989220.434C3H6ClIO2-chloro-1-iodopropan-1-olN126OC(C(Cl)C)(I)InChI=1S/C3H6ClIO/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=WKVUYLANLDGSQZ-UHFFFAOYSA-N206.7Ex 206.72(BP est) -11.87(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)C)(I) -11.9PredN
OC(C)(Cl)(CI)11990220.434C3H6ClIO2-chloro-1-iodopropan-2-olN126OC(C)(Cl)(CI)InChI=1S/C3H6ClIO/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=PAXSLFOGDIEDRD-UHFFFAOYSA-N190.7Ex 190.65(BP est) -0.35(MP est) ----(BP exp) ----(MP exp) OC(C)(Cl)(CI) -0.4PredN
OC(C(Cl)(I)C)11991220.434C3H6ClIO2-chloro-2-iodopropan-1-olN126OC(C(Cl)(I)C)InChI=1S/C3H6ClIO/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=SPRDLBPJLSTZTA-UHFFFAOYSA-N206.4Ex 206.44(BP est) 4.25(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)(I)C) 4.3PredN
NNC(Cl)(I)(C)11992220.438C2H6ClIN2(1-chloro-1-iodoethyl)hydrazineN126NNC(Cl)(I)(C)InChI=1S/C2H6ClIN2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=KENHMAZRKYPXBR-UHFFFAOYSA-N202.0Ex 202.03(BP est) 24.69(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(I)(C) 24.7PredN
NNC(Cl)(CI)11993220.438C2H6ClIN2(1-chloro-2-iodoethyl)hydrazineN126NNC(Cl)(CI)InChI=1S/C2H6ClIN2/c3-2(1-4)6-5/h2,6H,1,5H2InChIKey=LDURSDMKGMQOKC-UHFFFAOYSA-N220.3Ex 220.27(BP est) 31.50(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(CI) 31.5PredN
NNC(I)(CCl)11994220.438C2H6ClIN2(2-chloro-1-iodoethyl)hydrazineN126NNC(I)(CCl)InChI=1S/C2H6ClIN2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=CGORWICRQBZALG-UHFFFAOYSA-N230.5Ex 230.49(BP est) 34.48(MP est) ----(BP exp) ----(MP exp) NNC(I)(CCl) 34.5PredN
NNC(C(Cl)I)11995220.438C2H6ClIN2(2-chloro-2-iodoethyl)hydrazineN126NNC(C(Cl)I)InChI=1S/C2H6ClIN2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=XJPIZFVIMAQQOA-UHFFFAOYSA-N220.3Ex 220.27(BP est) 31.50(MP est) ----(BP exp) ----(MP exp) NNC(C(Cl)I) 31.5PredN
CN(C(Cl)(I))N11996220.438C2H6ClIN21-(chloroiodomethyl)-1-methylhydrazineN126CN(C(Cl)(I))NInChI=1S/C2H6ClIN2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=JZCGPGKBJXNLEB-UHFFFAOYSA-N202.9Ex 202.88(BP est) 16.32(MP est) ----(BP exp) ----(MP exp) CN(C(Cl)(I))N 16.3PredN
CNNC(Cl)(I)11997220.438C2H6ClIN21-(chloroiodomethyl)-2-methylhydrazineN126CNNC(Cl)(I)InChI=1S/C2H6ClIN2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=LLEIBVYHHVLFSU-UHFFFAOYSA-N205.2Ex 205.16(BP est) 11.78(MP est) ----(BP exp) ----(MP exp) CNNC(Cl)(I) 11.8PredN
C(Cl)N(C(I))N11998220.438C2H6ClIN21-(chloromethyl)-1-(iodomethyl)hydrazineN126C(Cl)N(C(I))NInChI=1S/C2H6ClIN2/c3-1-6(5)2-4/h1-2,5H2InChIKey=IGXZSOVVYBPRIF-UHFFFAOYSA-N225.0Ex 225.00(BP est) 30.28(MP est) ----(BP exp) ----(MP exp) C(Cl)N(C(I))N 30.3PredN
C(Cl)NNC(I)11999220.438C2H6ClIN21-(chloromethyl)-2-(iodomethyl)hydrazineN126C(Cl)NNC(I)InChI=1S/C2H6ClIN2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=ZIDWUGQKKAXJEU-UHFFFAOYSA-N227.2Ex 227.16(BP est) 25.71(MP est) ----(BP exp) ----(MP exp) C(Cl)NNC(I) 25.7PredN
ClC1(I)CS112000220.452C2H2ClIS2-chloro-2-iodothiiraneN75ClC1(I)CS1InChI=1S/C2H2ClIS/c3-2(4)1-5-2/h1H2InChIKey=WPUUUCZBGCHHDK-UHFFFAOYSA-N179.2Ex 179.21(BP est) 18.70(MP est) ----(BP exp) ----(MP exp) ClC1(I)CS1 18.7PredN
ClC1C(I)S112001220.452C2H2ClIS2-chloro-3-iodothiiraneN75ClC1C(I)S1InChI=1S/C2H2ClIS/c3-1-2(4)5-1/h1-2HInChIKey=PDOQCGDNCQXWMI-UHFFFAOYSA-N195.2Ex 195.23(BP est) 9.30(MP est) ----(BP exp) ----(MP exp) ClC1C(I)S1 9.3PredN
BrCI12002220.835CH2BrIbromoiodomethaneN53BrCIInChI=1S/CH2BrI/c2-1-3/h1H2InChIKey=TUDWMIUPYRKEFN-UHFFFAOYSA-N139.5Ex 141.46(BP est) -42.67(MP est) 139.50(BP exp) ----(MP exp) BrCI -42.7PredY(Gribble 2003)
CNC(Br)(Br)(F)12003220.867C2H4Br2FN1,1-dibromo-1-fluoro-N-methylmethanamineN106CNC(Br)(Br)(F)InChI=1S/C2H4Br2FN/c1-6-2(3,4)5/h6H,1H3InChIKey=WAKAPFPAYSYTTH-UHFFFAOYSA-N152.7Ex 152.71(BP est) -5.04(MP est) ----(BP exp) ----(MP exp) CNC(Br)(Br)(F) -5PredN
NC(Br)(Br)(CF)12004220.867C2H4Br2FN1,1-dibromo-2-fluoroethan-1-amineN106NC(Br)(Br)(CF)InChI=1S/C2H4Br2FN/c3-2(4,6)1-5/h1,6H2InChIKey=WZRUYYUXDHTNNE-UHFFFAOYSA-N169.6Ex 169.60(BP est) 15.19(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(CF) 15.2PredN
C(F)NC(Br)(Br)12005220.867C2H4Br2FN1,1-dibromo-N-(fluoromethyl)methanamineN106C(F)NC(Br)(Br)InChI=1S/C2H4Br2FN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=CXFAKOIKUJXDSA-UHFFFAOYSA-N161.3Ex 161.34(BP est) -11.23(MP est) ----(BP exp) ----(MP exp) C(F)NC(Br)(Br) -11.2PredN
NC(Br)(F)(CBr)12006220.867C2H4Br2FN1,2-dibromo-1-fluoroethan-1-amineN106NC(Br)(F)(CBr)InChI=1S/C2H4Br2FN/c3-1-2(4,5)6/h1,6H2InChIKey=LJCZFZXRZHXOKW-UHFFFAOYSA-N169.6Ex 169.60(BP est) 15.19(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(CBr) 15.2PredN
NC(Br)(C(Br)F)12007220.867C2H4Br2FN1,2-dibromo-2-fluoroethan-1-amineN106NC(Br)(C(Br)F)InChI=1S/C2H4Br2FN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=BSGMMGZEFRAHDB-UHFFFAOYSA-N165.2Ex 165.19(BP est) -2.31(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Br)F) -2.3PredN
C(Br)NC(Br)(F)12008220.867C2H4Br2FN1-bromo-N-(bromomethyl)-1-fluoromethanamineN106C(Br)NC(Br)(F)InChI=1S/C2H4Br2FN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=LTIBBDNFXPSYMI-UHFFFAOYSA-N161.3Ex 161.34(BP est) -11.23(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Br)(F) -11.2PredN
NC(F)(C(Br)Br)12009220.867C2H4Br2FN2,2-dibromo-1-fluoroethan-1-amineN106NC(F)(C(Br)Br)InChI=1S/C2H4Br2FN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=ZWVFSEMJCQNFFW-UHFFFAOYSA-N165.2Ex 165.19(BP est) -2.31(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Br)Br) -2.3PredN
NC(C(Br)(Br)F)12010220.867C2H4Br2FN2,2-dibromo-2-fluoroethan-1-amineN106NC(C(Br)(Br)F)InChI=1S/C2H4Br2FN/c3-2(4,5)1-6/h1,6H2InChIKey=BBHLBBNBVJLOJO-UHFFFAOYSA-N169.6Ex 169.60(BP est) 15.19(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(Br)F) 15.2PredN
IC1C(Cl)(F)N112012221.398C2H2ClFIN2-chloro-2-fluoro-3-iodoaziridineN86IC1C(Cl)(F)N1InChI=1S/C2H2ClFIN/c3-2(4)1(5)6-2/h1,6HInChIKey=GHQOLOCNURRTPQ-UHFFFAOYSA-N172.2Ex 172.15(BP est) 28.60(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(F)N1 28.6PredN
FC1C(Cl)(I)N112013221.398C2H2ClFIN2-chloro-3-fluoro-2-iodoaziridineN86FC1C(Cl)(I)N1InChI=1S/C2H2ClFIN/c3-2(5)1(4)6-2/h1,6HInChIKey=NMJATCPQLVHDAP-UHFFFAOYSA-N172.2Ex 172.15(BP est) 28.60(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(I)N1 28.6PredN
ClC1C(F)(I)N112014221.398C2H2ClFIN3-chloro-2-fluoro-2-iodoaziridineN86ClC1C(F)(I)N1InChI=1S/C2H2ClFIN/c3-1-2(4,5)6-1/h1,6HInChIKey=CLHKALUNWHTYAP-UHFFFAOYSA-N183.5Ex 183.52(BP est) 19.11(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(I)N1 19.1PredN
NCOC(Cl)(I)12015221.422C2H5ClINO(chloroiodomethoxy)methanamineN116NCOC(Cl)(I)InChI=1S/C2H5ClINO/c3-2(4)6-1-5/h2H,1,5H2InChIKey=BJBMWYKRNFURQS-UHFFFAOYSA-N204.2Ex 204.20(BP est) 11.59(MP est) ----(BP exp) ----(MP exp) NCOC(Cl)(I) 11.6PredN
NC(I)OC(Cl)12016221.422C2H5ClINO(chloromethoxy)iodomethanamineN116NC(I)OC(Cl)InChI=1S/C2H5ClINO/c3-1-6-2(4)5/h2H,1,5H2InChIKey=CUNRFHOAHLGTRT-UHFFFAOYSA-N214.8Ex 214.83(BP est) 14.69(MP est) ----(BP exp) ----(MP exp) NC(I)OC(Cl) 14.7PredN
NC(Cl)OC(I)12017221.422C2H5ClINOchloro(iodomethoxy)methanamineN116NC(Cl)OC(I)InChI=1S/C2H5ClINO/c3-2(5)6-1-4/h2H,1,5H2InChIKey=DHWTYRVOWCQBAQ-UHFFFAOYSA-N204.2Ex 204.20(BP est) 11.59(MP est) ----(BP exp) ----(MP exp) NC(Cl)OC(I) 11.6PredN
NC(Cl)(I)OC12018221.422C2H5ClINOchloroiodo(methoxy)methanamineN116NC(Cl)(I)OCInChI=1S/C2H5ClINO/c1-6-2(3,4)5/h5H2,1H3InChIKey=ZRUGHJKFUXXPIT-UHFFFAOYSA-N185.3Ex 185.25(BP est) 14.77(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)OC 14.8PredN
ClC(I)(C)NO12019221.422C2H5ClINON-(1-chloro-1-iodoethyl)hydroxylamineN116ClC(I)(C)NOInChI=1S/C2H5ClINO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=NNEZXERFYUFROU-UHFFFAOYSA-N236.8Ex 236.76(BP est) 33.80(MP est) ----(BP exp) ----(MP exp) ClC(I)(C)NO 33.8PredN
ClC(I)N(O)C12020221.422C2H5ClINON-(chloroiodomethyl)-N-methylhydroxylamineN116ClC(I)N(O)CInChI=1S/C2H5ClINO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=GQMHIZBNPJOCEH-UHFFFAOYSA-N291.9Ex 291.91(BP est) 54.18(MP est) ----(BP exp) ----(MP exp) ClC(I)N(O)C 54.2PredN
ClC(I)NOC12021221.422C2H5ClINON-(chloroiodomethyl)-O-methylhydroxylamineN116ClC(I)NOCInChI=1S/C2H5ClINO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=UUHCPMCPIBVLOR-UHFFFAOYSA-N188.5Ex 188.50(BP est) -8.29(MP est) ----(BP exp) ----(MP exp) ClC(I)NOC -8.3PredN
ClCNOCI12022221.422C2H5ClINON-(chloromethyl)-O-(iodomethyl)hydroxylamineN116ClCNOCIInChI=1S/C2H5ClINO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=VDYRTTZBKVBFMJ-UHFFFAOYSA-N211.4Ex 211.37(BP est) 5.88(MP est) ----(BP exp) ----(MP exp) ClCNOCI 5.9PredN
NOC(I)(C)Cl12023221.422C2H5ClINOO-(1-chloro-1-iodoethyl)hydroxylamineN116NOC(I)(C)ClInChI=1S/C2H5ClINO/c1-2(3,4)6-5/h5H2,1H3InChIKey=XPZXMDRRLHOYHJ-UHFFFAOYSA-N185.3Ex 185.25(BP est) 14.77(MP est) ----(BP exp) ----(MP exp) NOC(I)(C)Cl 14.8PredN
NOC(CI)Cl12024221.422C2H5ClINOO-(1-chloro-2-iodoethyl)hydroxylamineN116NOC(CI)ClInChI=1S/C2H5ClINO/c3-2(1-4)6-5/h2H,1,5H2InChIKey=XMUSDHPHRHJAHP-UHFFFAOYSA-N204.2Ex 204.20(BP est) 11.59(MP est) ----(BP exp) ----(MP exp) NOC(CI)Cl 11.6PredN
NOC(CCl)I12025221.422C2H5ClINOO-(2-chloro-1-iodoethyl)hydroxylamineN116NOC(CCl)IInChI=1S/C2H5ClINO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=KGPXVKODNZTBHX-UHFFFAOYSA-N214.8Ex 214.83(BP est) 14.69(MP est) ----(BP exp) ----(MP exp) NOC(CCl)I 14.7PredN
NOCC(I)Cl12026221.422C2H5ClINOO-(2-chloro-2-iodoethyl)hydroxylamineN116NOCC(I)ClInChI=1S/C2H5ClINO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=XLCRIQIJQIJJAE-UHFFFAOYSA-N204.2Ex 204.20(BP est) 11.59(MP est) ----(BP exp) ----(MP exp) NOCC(I)Cl 11.6PredN
CNOC(I)Cl12027221.422C2H5ClINOO-(chloroiodomethyl)-N-methylhydroxylamineN116CNOC(I)ClInChI=1S/C2H5ClINO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=ZWJKDCVVGVADLL-UHFFFAOYSA-N188.5Ex 188.50(BP est) -8.29(MP est) ----(BP exp) ----(MP exp) CNOC(I)Cl -8.3PredN
ICNOCCl12028221.422C2H5ClINOO-(chloromethyl)-N-(iodomethyl)hydroxylamineN116ICNOCClInChI=1S/C2H5ClINO/c3-1-6-5-2-4/h5H,1-2H2InChIKey=IBENOIRBDKFMMS-UHFFFAOYSA-N211.4Ex 211.37(BP est) 5.88(MP est) ----(BP exp) ----(MP exp) ICNOCCl 5.9PredN
C(Br)(Br)=C(F)(F)12030221.827C2Br2F21,1-dibromo-2,2-difluoroetheneN66C(Br)(Br)=C(F)(F)InChI=1S/C2Br2F2/c3-1(4)2(5)6InChIKey=VTFPVQZQUFXLFH-UHFFFAOYSA-N130.1Ex 130.07(BP est) -55.40(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)=C(F)(F) -55.4PredN
C(Br)(F)=C(Br)(F)12031221.827C2Br2F21,2-dibromo-1,2-difluoroetheneN66C(Br)(F)=C(Br)(F)InChI=1S/C2Br2F2/c3-1(5)2(4)6InChIKey=HATFLOWGZBUEIE-UHFFFAOYSA-N130.1Ex 130.07(BP est) -55.40(MP est) ----(BP exp) ----(MP exp) C(Br)(F)=C(Br)(F) -55.4PredN
OC(Br)(Br)(CF)12032221.851C2H3Br2FO1,1-dibromo-2-fluoroethan-1-olN96OC(Br)(Br)(CF)InChI=1S/C2H3Br2FO/c3-2(4,6)1-5/h6H,1H2InChIKey=JLLXQZUGQQHKPQ-UHFFFAOYSA-N176.0Ex 176.00(BP est) 5.84(MP est) ----(BP exp) ----(MP exp) OC(Br)(Br)(CF) 5.8PredN
OC(Br)(F)(CBr)12033221.851C2H3Br2FO1,2-dibromo-1-fluoroethan-1-olN96OC(Br)(F)(CBr)InChI=1S/C2H3Br2FO/c3-1-2(4,5)6/h6H,1H2InChIKey=ZSVXGALVLLZEGB-UHFFFAOYSA-N176.0Ex 176.00(BP est) 5.84(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(CBr) 5.8PredN
OC(Br)(C(Br)F)12034221.851C2H3Br2FO1,2-dibromo-2-fluoroethan-1-olN96OC(Br)(C(Br)F)InChI=1S/C2H3Br2FO/c3-1(5)2(4)6/h1-2,6HInChIKey=KQMUPJWQQSTXJZ-UHFFFAOYSA-N181.4Ex 181.43(BP est) -8.79(MP est) ----(BP exp) ----(MP exp) OC(Br)(C(Br)F) -8.8PredN
OC(F)(C(Br)Br)12035221.851C2H3Br2FO2,2-dibromo-1-fluoroethan-1-olN96OC(F)(C(Br)Br)InChI=1S/C2H3Br2FO/c3-1(4)2(5)6/h1-2,6HInChIKey=HPLGNNDQGGDGSS-UHFFFAOYSA-N181.4Ex 181.43(BP est) -8.79(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Br)Br) -8.8PredN
OC(C(Br)(Br)F)12036221.851C2H3Br2FO2,2-dibromo-2-fluoroethan-1-olN96OC(C(Br)(Br)F)InChI=1S/C2H3Br2FO/c3-2(4,5)1-6/h6H,1H2InChIKey=CJUBQIGGODQPRP-UHFFFAOYSA-N192.3Ex 192.29(BP est) 10.59(MP est) ----(BP exp) ----(MP exp) OC(C(Br)(Br)F) 10.6PredN
C(Br)OC(Br)(F)12037221.851C2H3Br2FObromo(bromomethoxy)fluoromethaneN96C(Br)OC(Br)(F)InChI=1S/C2H3Br2FO/c3-1-6-2(4)5/h2H,1H2InChIKey=SHNOOWPJENOKAY-UHFFFAOYSA-N143.1Ex 143.09(BP est) -31.78(MP est) ----(BP exp) ----(MP exp) C(Br)OC(Br)(F) -31.8PredN
C(F)OC(Br)(Br)12038221.851C2H3Br2FOdibromo(fluoromethoxy)methaneN96C(F)OC(Br)(Br)InChI=1S/C2H3Br2FO/c3-2(4)6-1-5/h2H,1H2InChIKey=GPZLNOLJQXISQJ-UHFFFAOYSA-N143.1Ex 143.09(BP est) -31.78(MP est) ----(BP exp) ----(MP exp) C(F)OC(Br)(Br) -31.8PredN
COC(Br)(Br)(F)12039221.851C2H3Br2FOdibromofluoro(methoxy)methaneN96COC(Br)(Br)(F)InChI=1S/C2H3Br2FO/c1-6-2(3,4)5/h1H3InChIKey=FGGDOYJWQCWQHT-UHFFFAOYSA-N134.2Ex 134.16(BP est) -25.67(MP est) ----(BP exp) ----(MP exp) COC(Br)(Br)(F) -25.7PredN
NNC(Br)(Br)(F)12040221.855CH3Br2FN2(dibromofluoromethyl)hydrazineN96NNC(Br)(Br)(F)InChI=1S/CH3Br2FN2/c2-1(3,4)6-5/h6H,5H2InChIKey=YHDKRPFVPIYLCS-UHFFFAOYSA-N187.7Ex 187.73(BP est) 18.57(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Br)(F) 18.6PredN
PC(F)=C(F)I12041221.913C2H2F2IP(1,2-difluoro-2-iodovinyl)phosphaneN86PC(F)=C(F)IInChI=1S/C2H2F2IP/c3-1(5)2(4)6/h6H2InChIKey=JIZYJNUUAIAWFP-UHFFFAOYSA-N147.0Ex 147.01(BP est) -65.54(MP est) ----(BP exp) ----(MP exp) PC(F)=C(F)I -65.5PredN
PC(I)=C(F)F12042221.913C2H2F2IP(2,2-difluoro-1-iodovinyl)phosphaneN86PC(I)=C(F)FInChI=1S/C2H2F2IP/c3-1(4)2(5)6/h6H2InChIKey=OCNQYOMUFBCYBF-UHFFFAOYSA-N147.0Ex 147.01(BP est) -65.54(MP est) ----(BP exp) ----(MP exp) PC(I)=C(F)F -65.5PredN
IC1C(F)(F)P112043221.913C2H2F2IP2,2-difluoro-3-iodophosphiraneN86IC1C(F)(F)P1InChI=1S/C2H2F2IP/c3-2(4)1(5)6-2/h1,6HInChIKey=WNJLQHHEADEPFZ-UHFFFAOYSA-N116.0Ex 115.99(BP est) -45.72(MP est) ----(BP exp) ----(MP exp) IC1C(F)(F)P1 -45.7PredN
FC1C(I)(F)P112044221.913C2H2F2IP2,3-difluoro-2-iodophosphiraneN86FC1C(I)(F)P1InChI=1S/C2H2F2IP/c3-1-2(4,5)6-1/h1,6HInChIKey=YFNWBGGBEPZSJH-UHFFFAOYSA-N116.0Ex 115.99(BP est) -45.72(MP est) ----(BP exp) ----(MP exp) FC1C(I)(F)P1 -45.7PredN
FC(POC)I12050221.938C2H5FIOP(fluoroiodomethyl)(methoxy)phosphaneN116FC(POC)IInChI=1S/C2H5FIOP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=RJWLXLNANCCDNY-UHFFFAOYSA-N140.7Ex 140.69(BP est) -55.75(MP est) ----(BP exp) ----(MP exp) FC(POC)I -55.8PredN
O=P(C)C(F)I12051221.938C2H5FIOP(fluoroiodomethyl)(methyl)phosphine oxideN116O=P(C)C(F)IInChI=1S/C2H5FIOP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=FENPAOPTSFHVMU-UHFFFAOYSA-N177.9Ex 177.85(BP est) -38.51(MP est) ----(BP exp) ----(MP exp) O=P(C)C(F)I -38.5PredN
O=P(CI)CF12053221.938C2H5FIOP(fluoromethyl)(iodomethyl)phosphine oxideN116O=P(CI)CFInChI=1S/C2H5FIOP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=LVOJWMDKFVFXGF-UHFFFAOYSA-N190.3Ex 190.28(BP est) -27.39(MP est) ----(BP exp) ----(MP exp) O=P(CI)CF -27.4PredN
IC1C(F)(F)S112054221.991C2HF2IS2,2-difluoro-3-iodothiiraneN76IC1C(F)(F)S1InChI=1S/C2HF2IS/c3-2(4)1(5)6-2/h1HInChIKey=JLDWYCXSONEXRA-UHFFFAOYSA-N142.9Ex 142.88(BP est) -8.40(MP est) ----(BP exp) ----(MP exp) IC1C(F)(F)S1 -8.4PredN
FC1C(F)(I)S112055221.991C2HF2IS2,3-difluoro-2-iodothiiraneN76FC1C(F)(I)S1InChI=1S/C2HF2IS/c3-1-2(4,5)6-1/h1HInChIKey=IHLNUSKSSJPJHS-UHFFFAOYSA-N142.9Ex 142.88(BP est) -8.40(MP est) ----(BP exp) ----(MP exp) FC1C(F)(I)S1 -8.4PredN
F[Si](C)(CI)F12056222.048C2H5F2ISidifluoro(iodomethyl)(methyl)silaneN116F[Si](C)(CI)FInChI=1S/C2H5F2ISi/c1-6(3,4)2-5/h2H2,1H3InChIKey=HAKISYJWKTYDGB-UHFFFAOYSA-N93.2Ex 93.15(BP est) -76.51(MP est) ----(BP exp) ----(MP exp) F[Si](C)(CI)F -76.5PredN
CC(Br)(Cl)Br12057222.304C2H3Br2Cl1,1-dibromo-1-chloroethaneN85CC(Br)(Cl)BrInChI=1S/C2H3Br2Cl/c1-2(3,4)5/h1H3InChIKey=GEFSLKMOZACLPI-UHFFFAOYSA-N144.3Ex 144.32(BP est) -19.16(MP est) ----(BP exp) ----(MP exp) CC(Br)(Cl)Br -19.2PredN
C(Cl)(C(Br)Br)12058222.304C2H3Br2Cl1,1-dibromo-2-chloroethaneN85C(Cl)(C(Br)Br)InChI=1S/C2H3Br2Cl/c3-2(4)1-5/h2H,1H2InChIKey=WEBVTPPSMMFBQU-UHFFFAOYSA-N176.5Ex 176.46(BP est) -18.48(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)Br) -18.5PredN
C(Br)(C(Br)Cl)12059222.304C2H3Br2Cl1,2-dibromo-1-chloroethaneN85C(Br)(C(Br)Cl)InChI=1S/C2H3Br2Cl/c3-1-2(4)5/h2H,1H2InChIKey=DVTKTUMRXCKEEG-UHFFFAOYSA-N164.9Ex 164.89(BP est) -21.86(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)Cl) -21.9PredN
O=PC(Cl)I12060222.346CHClIOP(chloroiodomethyl)(oxo)phosphaneN65O=PC(Cl)IInChI=1S/CHClIOP/c2-1(3)5-4/h1HInChIKey=SIZGOVRWSNRXIJ-UHFFFAOYSA-N200.8Ex 200.82(BP est) -14.59(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)I -14.6PredN
C(=O)C(Cl)(F)(I)12061222.382C2HClFIO2-chloro-2-fluoro-2-iodoacetaldehydeN76C(=O)C(Cl)(F)(I)InChI=1S/C2HClFIO/c3-2(4,5)1-6/h1HInChIKey=IQDQVMNHTAZFSB-UHFFFAOYSA-N163.0Ex 162.99(BP est) -23.18(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(F)(I) -23.2PredN
IC1C(Cl)(F)O112062222.382C2HClFIO2-chloro-2-fluoro-3-iodooxiraneN76IC1C(Cl)(F)O1InChI=1S/C2HClFIO/c3-2(4)1(5)6-2/h1HInChIKey=RSQBRXGUFVNGMB-UHFFFAOYSA-N143.0Ex 142.96(BP est) -19.15(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(F)O1 -19.2PredN
FC1C(Cl)(I)O112063222.382C2HClFIO2-chloro-3-fluoro-2-iodooxiraneN76FC1C(Cl)(I)O1InChI=1S/C2HClFIO/c3-2(5)1(4)6-2/h1HInChIKey=RNMRKXKCZJYGLJ-UHFFFAOYSA-N143.0Ex 142.96(BP est) -19.15(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(I)O1 -19.2PredN
ClC1C(F)(I)O112064222.382C2HClFIO3-chloro-2-fluoro-2-iodooxiraneN76ClC1C(F)(I)O1InChI=1S/C2HClFIO/c3-1-2(4,5)6-1/h1HInChIKey=GHQXNDWKHAGOTJ-UHFFFAOYSA-N155.0Ex 154.99(BP est) -15.64(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(I)O1 -15.6PredN
PC(C)(Cl)I12065222.39C2H5ClIP(1-chloro-1-iodoethyl)phosphaneN105PC(C)(Cl)IInChI=1S/C2H5ClIP/c1-2(3,4)5/h5H2,1H3InChIKey=OYUMNUOVNVSOHJ-UHFFFAOYSA-N160.8Ex 160.84(BP est) -29.42(MP est) ----(BP exp) ----(MP exp) PC(C)(Cl)I -29.4PredN
PC(Cl)CI12066222.39C2H5ClIP(1-chloro-2-iodoethyl)phosphaneN105PC(Cl)CIInChI=1S/C2H5ClIP/c3-2(5)1-4/h2H,1,5H2InChIKey=QUKDGJLTSCLWAA-UHFFFAOYSA-N180.8Ex 180.77(BP est) -32.31(MP est) ----(BP exp) ----(MP exp) PC(Cl)CI -32.3PredN
PC(I)CCl12067222.39C2H5ClIP(2-chloro-1-iodoethyl)phosphaneN105PC(I)CClInChI=1S/C2H5ClIP/c3-1-2(4)5/h2H,1,5H2InChIKey=JKMVDCKEXVWOLV-UHFFFAOYSA-N192.0Ex 191.97(BP est) -29.04(MP est) ----(BP exp) ----(MP exp) PC(I)CCl -29PredN
PCC(Cl)I12068222.39C2H5ClIP(2-chloro-2-iodoethyl)phosphaneN105PCC(Cl)IInChI=1S/C2H5ClIP/c3-2(4)1-5/h2H,1,5H2InChIKey=CWXGUCNBDFYMKK-UHFFFAOYSA-N180.8Ex 180.77(BP est) -32.31(MP est) ----(BP exp) ----(MP exp) PCC(Cl)I -32.3PredN
CPC(Cl)I12069222.39C2H5ClIP(chloroiodomethyl)(methyl)phosphaneN105CPC(Cl)IInChI=1S/C2H5ClIP/c1-5-2(3)4/h2,5H,1H3InChIKey=VBXFIRCFHRJNOF-UHFFFAOYSA-N162.6Ex 162.59(BP est) -45.80(MP est) ----(BP exp) ----(MP exp) CPC(Cl)I -45.8PredN
ClCPCI12070222.39C2H5ClIP(chloromethyl)(iodomethyl)phosphaneN105ClCPCIInChI=1S/C2H5ClIP/c3-1-5-2-4/h5H,1-2H2InChIKey=NFZOXNJMXYCLCQ-UHFFFAOYSA-N186.7Ex 186.74(BP est) -31.25(MP est) ----(BP exp) ----(MP exp) ClCPCI -31.3PredN
C(CC(Cl)(F)I)12071222.426C3H5ClFI1-chloro-1-fluoro-1-iodopropaneN116C(CC(Cl)(F)I)InChI=1S/C3H5ClFI/c1-2-3(4,5)6/h2H2,1H3InChIKey=TVJDIQFRAVVRPX-UHFFFAOYSA-N128.9Ex 128.88(BP est) -48.50(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)(F)I) -48.5PredN
C(C(I)C(Cl)F)12072222.426C3H5ClFI1-chloro-1-fluoro-2-iodopropaneN116C(C(I)C(Cl)F)InChI=1S/C3H5ClFI/c1-2(6)3(4)5/h2-3H,1H3InChIKey=QUDZJEIXDMFARU-UHFFFAOYSA-N136.6Ex 136.57(BP est) -62.47(MP est) ----(BP exp) ----(MP exp) C(C(I)C(Cl)F) -62.5PredN
C(I)(CC(Cl)F)12073222.426C3H5ClFI1-chloro-1-fluoro-3-iodopropaneN116C(I)(CC(Cl)F)InChI=1S/C3H5ClFI/c4-3(5)1-2-6/h3H,1-2H2InChIKey=JNDDFJAOOKGJPW-UHFFFAOYSA-N150.0Ex 150.04(BP est) -51.04(MP est) ----(BP exp) ----(MP exp) C(I)(CC(Cl)F) -51PredN
C(C(F)C(Cl)I)12074222.426C3H5ClFI1-chloro-2-fluoro-1-iodopropaneN116C(C(F)C(Cl)I)InChI=1S/C3H5ClFI/c1-2(5)3(4)6/h2-3H,1H3InChIKey=FYOZIAFXVGRVBX-UHFFFAOYSA-N136.6Ex 136.57(BP est) -62.47(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Cl)I) -62.5PredN
C(C(F)(I)CCl)12075222.426C3H5ClFI1-chloro-2-fluoro-2-iodopropaneN116C(C(F)(I)CCl)InChI=1S/C3H5ClFI/c1-3(5,6)2-4/h2H2,1H3InChIKey=XOLGZORBTKQAPR-UHFFFAOYSA-N153.3Ex 153.32(BP est) -41.37(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)CCl) -41.4PredN
C(Cl)(C(F)CI)12076222.426C3H5ClFI1-chloro-2-fluoro-3-iodopropaneN116C(Cl)(C(F)CI)InChI=1S/C3H5ClFI/c4-1-3(5)2-6/h3H,1-2H2InChIKey=GKZSLDRUHOEMMK-UHFFFAOYSA-N161.9Ex 161.94(BP est) -47.56(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)CI) -47.6PredN
C(F)(CC(Cl)I)12077222.426C3H5ClFI1-chloro-3-fluoro-1-iodopropaneN116C(F)(CC(Cl)I)InChI=1S/C3H5ClFI/c4-3(6)1-2-5/h3H,1-2H2InChIKey=KIWZIMMJVRZXIZ-UHFFFAOYSA-N150.0Ex 150.04(BP est) -51.04(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Cl)I) -51PredN
C(Cl)(C(I)CF)12078222.426C3H5ClFI1-chloro-3-fluoro-2-iodopropaneN116C(Cl)(C(I)CF)InChI=1S/C3H5ClFI/c4-1-3(6)2-5/h3H,1-2H2InChIKey=HJERSAWULXCKKW-UHFFFAOYSA-N161.9Ex 161.94(BP est) -47.56(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)CF) -47.6PredN
C(C(Cl)C(F)I)12079222.426C3H5ClFI2-chloro-1-fluoro-1-iodopropaneN116C(C(Cl)C(F)I)InChI=1S/C3H5ClFI/c1-2(4)3(5)6/h2-3H,1H3InChIKey=NARAZBKBNQNCKU-UHFFFAOYSA-N136.6Ex 136.57(BP est) -62.47(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(F)I) -62.5PredN
C(C(Cl)(I)CF)12080222.426C3H5ClFI2-chloro-1-fluoro-2-iodopropaneN116C(C(Cl)(I)CF)InChI=1S/C3H5ClFI/c1-3(4,6)2-5/h2H2,1H3InChIKey=DZJFVDXICLFRST-UHFFFAOYSA-N128.9Ex 128.88(BP est) -48.50(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(I)CF) -48.5PredN
C(I)(C(Cl)CF)12081222.426C3H5ClFI2-chloro-1-fluoro-3-iodopropaneN116C(I)(C(Cl)CF)InChI=1S/C3H5ClFI/c4-3(1-5)2-6/h3H,1-2H2InChIKey=LBGDEZMXACUCQH-UHFFFAOYSA-N150.0Ex 150.04(BP est) -51.04(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)CF) -51PredN
C(C(Cl)(F)CI)12082222.426C3H5ClFI2-chloro-2-fluoro-1-iodopropaneN116C(C(Cl)(F)CI)InChI=1S/C3H5ClFI/c1-3(4,5)2-6/h2H2,1H3InChIKey=ITPWUCGSQIQNER-UHFFFAOYSA-N128.9Ex 128.88(BP est) -48.50(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(F)CI) -48.5PredN
C(Cl)(CC(F)I)12083222.426C3H5ClFI3-chloro-1-fluoro-1-iodopropaneN116C(Cl)(CC(F)I)InChI=1S/C3H5ClFI/c4-2-1-3(5)6/h3H,1-2H2InChIKey=ODLNMHJOXYZTMC-UHFFFAOYSA-N161.9Ex 161.94(BP est) -47.56(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(F)I) -47.6PredN
CSC(Cl)(I)12084222.468C2H4ClIS(chloroiodomethyl)(methyl)sulfaneN95CSC(Cl)(I)InChI=1S/C2H4ClIS/c1-5-2(3)4/h2H,1H3InChIKey=QSFRDXTWTOVOFY-UHFFFAOYSA-N187.6Ex 187.64(BP est) -28.79(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(I) -28.8PredN
C(Cl)SC(I)12085222.468C2H4ClIS(chloromethyl)(iodomethyl)sulfaneN95C(Cl)SC(I)InChI=1S/C2H4ClIS/c3-1-5-2-4/h1-2H2InChIKey=AWPPUAJUOLOONZ-UHFFFAOYSA-N210.6Ex 210.55(BP est) -14.60(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(I) -14.6PredN
SC(Cl)(I)(C)12086222.468C2H4ClIS1-chloro-1-iodoethane-1-thiolN95SC(Cl)(I)(C)InChI=1S/C2H4ClIS/c1-2(3,4)5/h5H,1H3InChIKey=DRJMWOSBGMMVLV-UHFFFAOYSA-N180.6Ex 180.62(BP est) -21.10(MP est) ----(BP exp) ----(MP exp) SC(Cl)(I)(C) -21.1PredN
SC(Cl)(CI)12087222.468C2H4ClIS1-chloro-2-iodoethane-1-thiolN95SC(Cl)(CI)InChI=1S/C2H4ClIS/c3-2(5)1-4/h2,5H,1H2InChIKey=VQGIPROAFCJCFC-UHFFFAOYSA-N199.8Ex 199.75(BP est) -24.22(MP est) ----(BP exp) ----(MP exp) SC(Cl)(CI) -24.2PredN
SC(I)(CCl)12088222.468C2H4ClIS2-chloro-1-iodoethane-1-thiolN95SC(I)(CCl)InChI=1S/C2H4ClIS/c3-1-2(4)5/h2,5H,1H2InChIKey=CBIAGNGSDXTPQV-UHFFFAOYSA-N210.5Ex 210.49(BP est) -21.09(MP est) ----(BP exp) ----(MP exp) SC(I)(CCl) -21.1PredN
SC(C(Cl)I)12089222.468C2H4ClIS2-chloro-2-iodoethane-1-thiolN95SC(C(Cl)I)InChI=1S/C2H4ClIS/c3-2(4)1-5/h2,5H,1H2InChIKey=UPJQYVIGJFNGBP-UHFFFAOYSA-N199.8Ex 199.75(BP est) -24.22(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)I) -24.2PredN
IC=C(Cl)Cl12090222.834C2HCl2I1,1-dichloro-2-iodoetheneN65IC=C(Cl)ClInChI=1S/C2HCl2I/c3-2(4)1-5/h1HInChIKey=OSFPFZUXFRQPGW-UHFFFAOYSA-N158.9Ex 158.93(BP est) -41.43(MP est) ----(BP exp) ----(MP exp) IC=C(Cl)Cl -41.4PredN
ClC=C(I)Cl12091222.834C2HCl2I1,2-dichloro-1-iodoetheneN65ClC=C(I)ClInChI=1S/C2HCl2I/c3-1-2(4)5/h1HInChIKey=ZBHBFPBDFXBLQS-UHFFFAOYSA-N158.9Ex 158.93(BP est) -41.43(MP est) ----(BP exp) ----(MP exp) ClC=C(I)Cl -41.4PredN
NOC(Br)(F)Br12092222.839CH2Br2FNOO-(dibromofluoromethyl)hydroxylamineN86NOC(Br)(F)BrInChI=1S/CH2Br2FNO/c2-1(3,4)6-5/h5H2InChIKey=ORRVBZFPWRSNAQ-UHFFFAOYSA-N170.4Ex 170.42(BP est) 20.91(MP est) ----(BP exp) ----(MP exp) NOC(Br)(F)Br 20.9PredN
NC(Br)(Br)(Cl)12093223.292CH2Br2ClNdibromochloromethanamineN75NC(Br)(Br)(Cl)InChI=1S/CH2Br2ClN/c2-1(3,4)5/h5H2InChIKey=OANRQGNFFFFLMP-UHFFFAOYSA-N179.9Ex 179.91(BP est) 27.23(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(Cl) 27.2PredN
CNC(Cl)(F)(I)12094223.414C2H4ClFIN1-chloro-1-fluoro-1-iodo-N-methylmethanamineN106CNC(Cl)(F)(I)InChI=1S/C2H4ClFIN/c1-6-2(3,4)5/h6H,1H3InChIKey=RWEBVVZHAJLOBP-UHFFFAOYSA-N148.5Ex 148.47(BP est) -22.09(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(F)(I) -22.1PredN
NC(Cl)(F)(CI)12095223.414C2H4ClFIN1-chloro-1-fluoro-2-iodoethan-1-amineN106NC(Cl)(F)(CI)InChI=1S/C2H4ClFIN/c3-2(4,6)1-5/h1,6H2InChIKey=GXDJJWAWCNMXRG-UHFFFAOYSA-N165.5Ex 165.49(BP est) -1.82(MP est) ----(BP exp) ----(MP exp) NC(Cl)(F)(CI) -1.8PredN
C(I)NC(Cl)(F)12096223.414C2H4ClFIN1-chloro-1-fluoro-N-(iodomethyl)methanamineN106C(I)NC(Cl)(F)InChI=1S/C2H4ClFIN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=VBBVSCHQARBFRH-UHFFFAOYSA-N168.9Ex 168.88(BP est) -24.84(MP est) ----(BP exp) ----(MP exp) C(I)NC(Cl)(F) -24.8PredN
NC(Cl)(I)(CF)12097223.414C2H4ClFIN1-chloro-2-fluoro-1-iodoethan-1-amineN106NC(Cl)(I)(CF)InChI=1S/C2H4ClFIN/c3-2(5,6)1-4/h1,6H2InChIKey=OFUWAMUBYLMGDI-UHFFFAOYSA-N165.5Ex 165.49(BP est) -1.82(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)(CF) -1.8PredN
NC(Cl)(C(F)I)12098223.414C2H4ClFIN1-chloro-2-fluoro-2-iodoethan-1-amineN106NC(Cl)(C(F)I)InChI=1S/C2H4ClFIN/c3-1(6)2(4)5/h1-2H,6H2InChIKey=YJRYKFWRYBONEE-UHFFFAOYSA-N172.7Ex 172.68(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(F)I) -15.9PredN
C(F)NC(Cl)(I)12099223.414C2H4ClFIN1-chloro-N-(fluoromethyl)-1-iodomethanamineN106C(F)NC(Cl)(I)InChI=1S/C2H4ClFIN/c3-2(5)6-1-4/h2,6H,1H2InChIKey=QAHIKDVDBHIBBY-UHFFFAOYSA-N168.9Ex 168.88(BP est) -24.84(MP est) ----(BP exp) ----(MP exp) C(F)NC(Cl)(I) -24.8PredN
NC(F)(I)(CCl)12100223.414C2H4ClFIN2-chloro-1-fluoro-1-iodoethan-1-amineN106NC(F)(I)(CCl)InChI=1S/C2H4ClFIN/c3-1-2(4,5)6/h1,6H2InChIKey=WJYSMAAJEPNEQZ-UHFFFAOYSA-N188.3Ex 188.31(BP est) 4.84(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(CCl) 4.8PredN
NC(F)(C(Cl)I)12101223.414C2H4ClFIN2-chloro-1-fluoro-2-iodoethan-1-amineN106NC(F)(C(Cl)I)InChI=1S/C2H4ClFIN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=QZOXPTIMNDTEMS-UHFFFAOYSA-N172.7Ex 172.68(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Cl)I) -15.9PredN
NC(I)(C(Cl)F)12102223.414C2H4ClFIN2-chloro-2-fluoro-1-iodoethan-1-amineN106NC(I)(C(Cl)F)InChI=1S/C2H4ClFIN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=IILVGQUZTGCRQO-UHFFFAOYSA-N172.7Ex 172.68(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Cl)F) -15.9PredN
NC(C(Cl)(F)I)12103223.414C2H4ClFIN2-chloro-2-fluoro-2-iodoethan-1-amineN106NC(C(Cl)(F)I)InChI=1S/C2H4ClFIN/c3-2(4,5)1-6/h1,6H2InChIKey=MLTXGVIKZVTFJS-UHFFFAOYSA-N165.5Ex 165.49(BP est) -1.82(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)(F)I) -1.8PredN
C(Cl)NC(F)(I)12104223.414C2H4ClFINN-(chloromethyl)-1-fluoro-1-iodomethanamineN106C(Cl)NC(F)(I)InChI=1S/C2H4ClFIN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=VIIAWBCUKXFGSJ-UHFFFAOYSA-N180.4Ex 180.36(BP est) -21.49(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(F)(I) -21.5PredN
PC(F)(Br)Br12106223.807CH2Br2FP(dibromofluoromethyl)phosphaneN75PC(F)(Br)BrInChI=1S/CH2Br2FP/c2-1(3,4)5/h5H2InChIKey=LVZNSDBISCPBIF-UHFFFAOYSA-N145.3Ex 145.27(BP est) -23.49(MP est) ----(BP exp) ----(MP exp) PC(F)(Br)Br -23.5PredN
C(F)(C(Br)(Br)F)12107223.843C2H2Br2F21,1-dibromo-1,2-difluoroethaneN86C(F)(C(Br)(Br)F)InChI=1S/C2H2Br2F2/c3-2(4,6)1-5/h1H2InChIKey=VMGSZBHMTDYINX-UHFFFAOYSA-N112.4Ex 112.39(BP est) -42.85(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(Br)F) -42.9PredN
C(Br)(Br)(C(F)F)12108223.843C2H2Br2F21,1-dibromo-2,2-difluoroethaneN86C(Br)(Br)(C(F)F)InChI=1S/C2H2Br2F2/c3-1(4)2(5)6/h1-2HInChIKey=NXFKOKIVSXXVIN-UHFFFAOYSA-N108.0Ex 107.51(BP est) -60.48(MP est) 92.50(BP exp) -61.30(MP exp) C(Br)(Br)(C(F)F) -61.3ExptN
C(Br)(C(Br)(F)F)12109223.843C2H2Br2F21,2-dibromo-1,1-difluoroethaneN86C(Br)(C(Br)(F)F)InChI=1S/C2H2Br2F2/c3-1-2(4,5)6/h1H2InChIKey=DPOZWTRVXPUOQW-UHFFFAOYSA-N99.0Ex 112.39(BP est) -42.85(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)(F)F) -42.9PredN
C(Br)(F)(C(Br)F)12110223.843C2H2Br2F21,2-dibromo-1,2-difluoroethaneN86C(Br)(F)(C(Br)F)InChI=1S/C2H2Br2F2/c3-1(5)2(4)6/h1-2HInChIKey=PGSRDSGMGWOQIT-UHFFFAOYSA-N107.5Ex 107.51(BP est) -60.48(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C(Br)F) -60.5PredN
SC(Br)(Br)(F)12111223.885CHBr2FSdibromofluoromethanethiolN65SC(Br)(Br)(F)InChI=1S/CHBr2FS/c2-1(3,4)5/h5HInChIKey=PKKAGWCNOJDMNG-UHFFFAOYSA-N165.6Ex 165.64(BP est) -15.00(MP est) ----(BP exp) ----(MP exp) SC(Br)(Br)(F) -15PredN
O=PC(I)(F)F12112223.885CF2IOP(difluoroiodomethyl)(oxo)phosphaneN66O=PC(I)(F)FInChI=1S/CF2IOP/c2-1(3,4)6-5InChIKey=PAYJGAKZQUQDII-UHFFFAOYSA-N152.0Ex 151.99(BP est) -34.51(MP est) ----(BP exp) ----(MP exp) O=PC(I)(F)F -34.5PredN
O=P(C(F)I)O12113223.91CH3FIO2P(fluoroiodomethyl)phosphinic acidN96O=P(C(F)I)OInChI=1S/CH3FIO2P/c2-1(3)6(4)5/h1,6H,(H,4,5)InChIKey=NAEWZBOSUZJURX-UHFFFAOYSA-N245.1Ex 245.08(BP est) 5.89(MP est) ----(BP exp) ----(MP exp) O=P(C(F)I)O 5.9PredN
PC(CI)(F)F12114223.929C2H4F2IP(1,1-difluoro-2-iodoethyl)phosphaneN106PC(CI)(F)FInChI=1S/C2H4F2IP/c3-2(4,6)1-5/h1,6H2InChIKey=LMTSUAAGVBJQRL-UHFFFAOYSA-N129.9Ex 129.86(BP est) -52.83(MP est) ----(BP exp) ----(MP exp) PC(CI)(F)F -52.8PredN
PC(CF)(F)I12115223.929C2H4F2IP(1,2-difluoro-1-iodoethyl)phosphaneN106PC(CF)(F)IInChI=1S/C2H4F2IP/c3-1-2(4,5)6/h1,6H2InChIKey=FSICIAWPOLMJAL-UHFFFAOYSA-N129.9Ex 129.86(BP est) -52.83(MP est) ----(BP exp) ----(MP exp) PC(CF)(F)I -52.8PredN
PC(F)C(F)I12116223.929C2H4F2IP(1,2-difluoro-2-iodoethyl)phosphaneN106PC(F)C(F)IInChI=1S/C2H4F2IP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=VGYPJNOREBLKEK-UHFFFAOYSA-N125.1Ex 125.12(BP est) -70.43(MP est) ----(BP exp) ----(MP exp) PC(F)C(F)I -70.4PredN
PC(I)C(F)F12117223.929C2H4F2IP(2,2-difluoro-1-iodoethyl)phosphaneN106PC(I)C(F)FInChI=1S/C2H4F2IP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=DXXTZQBGEFTMSF-UHFFFAOYSA-N125.1Ex 125.12(BP est) -70.43(MP est) ----(BP exp) ----(MP exp) PC(I)C(F)F -70.4PredN
PCC(I)(F)F12118223.929C2H4F2IP(2,2-difluoro-2-iodoethyl)phosphaneN106PCC(I)(F)FInChI=1S/C2H4F2IP/c3-2(4,5)1-6/h1,6H2InChIKey=XLAMSRUEUJSFNW-UHFFFAOYSA-N129.9Ex 129.86(BP est) -52.83(MP est) ----(BP exp) ----(MP exp) PCC(I)(F)F -52.8PredN
CPC(I)(F)F12119223.929C2H4F2IP(difluoroiodomethyl)(methyl)phosphaneN106CPC(I)(F)FInChI=1S/C2H4F2IP/c1-6-2(3,4)5/h6H,1H3InChIKey=AWCDJXCHYPYWKM-UHFFFAOYSA-N109.9Ex 109.87(BP est) -66.85(MP est) ----(BP exp) ----(MP exp) CPC(I)(F)F -66.9PredN
ICPC(F)F12120223.929C2H4F2IP(difluoromethyl)(iodomethyl)phosphaneN106ICPC(F)FInChI=1S/C2H4F2IP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=FQHSKDSFJWFVRZ-UHFFFAOYSA-N119.2Ex 119.17(BP est) -72.85(MP est) ----(BP exp) ----(MP exp) ICPC(F)F -72.9PredN
FCPC(F)I12121223.929C2H4F2IP(fluoroiodomethyl)(fluoromethyl)phosphaneN106FCPC(F)IInChI=1S/C2H4F2IP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=VAIXNBDBJWCISM-UHFFFAOYSA-N119.2Ex 119.17(BP est) -72.85(MP est) ----(BP exp) ----(MP exp) FCPC(F)I -72.9PredN
CSC(F)(F)(I)12123224.007C2H3F2IS(difluoroiodomethyl)(methyl)sulfaneN96CSC(F)(F)(I)InChI=1S/C2H3F2IS/c1-6-2(3,4)5/h1H3InChIKey=LQPPMSKGZREFKY-UHFFFAOYSA-N137.4Ex 137.43(BP est) -49.11(MP est) ----(BP exp) ----(MP exp) CSC(F)(F)(I) -49.1PredN
C(I)SC(F)(F)12124224.007C2H3F2IS(difluoromethyl)(iodomethyl)sulfaneN96C(I)SC(F)(F)InChI=1S/C2H3F2IS/c3-2(4)6-1-5/h2H,1H2InChIKey=XXVGCUVQGGKLMB-UHFFFAOYSA-N146.3Ex 146.31(BP est) -55.23(MP est) ----(BP exp) ----(MP exp) C(I)SC(F)(F) -55.2PredN
C(F)SC(F)(I)12125224.007C2H3F2IS(fluoroiodomethyl)(fluoromethyl)sulfaneN96C(F)SC(F)(I)InChI=1S/C2H3F2IS/c3-1-6-2(4)5/h2H,1H2InChIKey=WRNJRSFLVKXBIO-UHFFFAOYSA-N146.3Ex 146.31(BP est) -55.23(MP est) ----(BP exp) ----(MP exp) C(F)SC(F)(I) -55.2PredN
SC(F)(F)(CI)12126224.007C2H3F2IS1,1-difluoro-2-iodoethane-1-thiolN96SC(F)(F)(CI)InChI=1S/C2H3F2IS/c3-2(4,6)1-5/h6H,1H2InChIKey=UMJYUFQULVGBMR-UHFFFAOYSA-N150.8Ex 150.81(BP est) -44.17(MP est) ----(BP exp) ----(MP exp) SC(F)(F)(CI) -44.2PredN
SC(F)(I)(CF)12127224.007C2H3F2IS1,2-difluoro-1-iodoethane-1-thiolN96SC(F)(I)(CF)InChI=1S/C2H3F2IS/c3-1-2(4,5)6/h6H,1H2InChIKey=NWYNCYKSOHLVHA-UHFFFAOYSA-N150.8Ex 150.81(BP est) -44.17(MP est) ----(BP exp) ----(MP exp) SC(F)(I)(CF) -44.2PredN
SC(F)(C(F)I)12128224.007C2H3F2IS1,2-difluoro-2-iodoethane-1-thiolN96SC(F)(C(F)I)InChI=1S/C2H3F2IS/c3-1(5)2(4)6/h1-2,6HInChIKey=QVHFLTCDHLPICI-UHFFFAOYSA-N146.2Ex 146.24(BP est) -61.72(MP est) ----(BP exp) ----(MP exp) SC(F)(C(F)I) -61.7PredN
SC(I)(C(F)F)12129224.007C2H3F2IS2,2-difluoro-1-iodoethane-1-thiolN96SC(I)(C(F)F)InChI=1S/C2H3F2IS/c3-1(4)2(5)6/h1-2,6HInChIKey=MWZNEBLXOROYOQ-UHFFFAOYSA-N146.2Ex 146.24(BP est) -61.72(MP est) ----(BP exp) ----(MP exp) SC(I)(C(F)F) -61.7PredN
SC(C(F)(F)I)12130224.007C2H3F2IS2,2-difluoro-2-iodoethane-1-thiolN96SC(C(F)(F)I)InChI=1S/C2H3F2IS/c3-2(4,5)1-6/h6H,1H2InChIKey=DLBPBQUCSQXABN-UHFFFAOYSA-N150.8Ex 150.81(BP est) -44.17(MP est) ----(BP exp) ----(MP exp) SC(C(F)(F)I) -44.2PredN
F[Si](CI)(O)F12131224.02CH3F2IOSidifluoro(iodomethyl)silanolN96F[Si](CI)(O)FInChI=1S/CH3F2IOSi/c2-6(3,5)1-4/h5H,1H2InChIKey=VEDANBKNLPHUGQ-UHFFFAOYSA-N172.2Ex 172.18(BP est) -28.66(MP est) ----(BP exp) ----(MP exp) F[Si](CI)(O)F -28.7PredN
C(Cl)(F)=C(F)(I)12133224.373C2ClF2I1-chloro-1,2-difluoro-2-iodoetheneN66C(Cl)(F)=C(F)(I)InChI=1S/C2ClF2I/c3-1(4)2(5)6InChIKey=PVUISSJCJLIQPL-UHFFFAOYSA-N123.6Ex 123.60(BP est) -73.10(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(F)(I) -73.1PredN
C(Cl)(I)=C(F)(F)12134224.373C2ClF2I1-chloro-2,2-difluoro-1-iodoetheneN66C(Cl)(I)=C(F)(F)InChI=1S/C2ClF2I/c3-1(6)2(4)5InChIKey=RDWKJFYEHNKGMZ-UHFFFAOYSA-N123.6Ex 123.60(BP est) -73.10(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)=C(F)(F) -73.1PredN
C(Cl)OC(F)(I)12135224.398C2H3ClFIO(chloromethoxy)fluoroiodomethaneN96C(Cl)OC(F)(I)InChI=1S/C2H3ClFIO/c3-1-6-2(4)5/h2H,1H2InChIKey=ULZGGRHQVUKTDI-UHFFFAOYSA-N162.8Ex 162.78(BP est) -41.84(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(F)(I) -41.8PredN
OC(Cl)(F)(CI)12136224.398C2H3ClFIO1-chloro-1-fluoro-2-iodoethan-1-olN96OC(Cl)(F)(CI)InChI=1S/C2H3ClFIO/c3-2(4,6)1-5/h6H,1H2InChIKey=YSNIQTUQHDPMBR-UHFFFAOYSA-N171.9Ex 171.94(BP est) -11.16(MP est) ----(BP exp) ----(MP exp) OC(Cl)(F)(CI) -11.2PredN
OC(Cl)(I)(CF)12137224.398C2H3ClFIO1-chloro-2-fluoro-1-iodoethan-1-olN96OC(Cl)(I)(CF)InChI=1S/C2H3ClFIO/c3-2(5,6)1-4/h6H,1H2InChIKey=CUVIWQJOJQAYQV-UHFFFAOYSA-N171.9Ex 171.94(BP est) -11.16(MP est) ----(BP exp) ----(MP exp) OC(Cl)(I)(CF) -11.2PredN
OC(Cl)(C(F)I)12138224.398C2H3ClFIO1-chloro-2-fluoro-2-iodoethan-1-olN96OC(Cl)(C(F)I)InChI=1S/C2H3ClFIO/c3-1(6)2(4)5/h1-2,6HInChIKey=LBAPBKILZIZLQV-UHFFFAOYSA-N188.7Ex 188.67(BP est) -22.48(MP est) ----(BP exp) ----(MP exp) OC(Cl)(C(F)I) -22.5PredN
OC(F)(I)(CCl)12139224.398C2H3ClFIO2-chloro-1-fluoro-1-iodoethan-1-olN96OC(F)(I)(CCl)InChI=1S/C2H3ClFIO/c3-1-2(4,5)6/h6H,1H2InChIKey=PZSFUFKQBPRBEI-UHFFFAOYSA-N194.5Ex 194.46(BP est) -4.58(MP est) ----(BP exp) ----(MP exp) OC(F)(I)(CCl) -4.6PredN
OC(F)(C(Cl)I)12140224.398C2H3ClFIO2-chloro-1-fluoro-2-iodoethan-1-olN96OC(F)(C(Cl)I)InChI=1S/C2H3ClFIO/c3-1(5)2(4)6/h1-2,6HInChIKey=MLBYODZKAUFRRA-UHFFFAOYSA-N188.7Ex 188.67(BP est) -22.48(MP est) ----(BP exp) ----(MP exp) OC(F)(C(Cl)I) -22.5PredN
OC(I)(C(Cl)F)12141224.398C2H3ClFIO2-chloro-2-fluoro-1-iodoethan-1-olN96OC(I)(C(Cl)F)InChI=1S/C2H3ClFIO/c3-1(4)2(5)6/h1-2,6HInChIKey=WPEHMARPXINQMJ-UHFFFAOYSA-N188.7Ex 188.67(BP est) -22.48(MP est) ----(BP exp) ----(MP exp) OC(I)(C(Cl)F) -22.5PredN
OC(C(Cl)(F)I)12142224.398C2H3ClFIO2-chloro-2-fluoro-2-iodoethan-1-olN96OC(C(Cl)(F)I)InChI=1S/C2H3ClFIO/c3-2(4,5)1-6/h6H,1H2InChIKey=CQLUZUXELXGLFN-UHFFFAOYSA-N188.4Ex 188.37(BP est) -6.36(MP est) ----(BP exp) ----(MP exp) OC(C(Cl)(F)I) -6.4PredN
C(F)OC(Cl)(I)12143224.398C2H3ClFIOchloro(fluoromethoxy)iodomethaneN96C(F)OC(Cl)(I)InChI=1S/C2H3ClFIO/c3-2(5)6-1-4/h2H,1H2InChIKey=XYUFMCHAWLMXSU-UHFFFAOYSA-N150.9Ex 150.89(BP est) -45.31(MP est) ----(BP exp) ----(MP exp) C(F)OC(Cl)(I) -45.3PredN
C(I)OC(Cl)(F)12144224.398C2H3ClFIOchlorofluoro(iodomethoxy)methaneN96C(I)OC(Cl)(F)InChI=1S/C2H3ClFIO/c3-2(4)6-1-5/h2H,1H2InChIKey=HIEZUOHSGVOTAZ-UHFFFAOYSA-N150.9Ex 150.89(BP est) -45.31(MP est) ----(BP exp) ----(MP exp) C(I)OC(Cl)(F) -45.3PredN
COC(Cl)(F)(I)12145224.398C2H3ClFIOchlorofluoroiodo(methoxy)methaneN96COC(Cl)(F)(I)InChI=1S/C2H3ClFIO/c1-6-2(3,4)5/h1H3InChIKey=ZSIGYOXKOWMCPG-UHFFFAOYSA-N129.8Ex 129.77(BP est) -42.76(MP est) ----(BP exp) ----(MP exp) COC(Cl)(F)(I) -42.8PredN
NNC(Cl)(F)(I)12146224.402CH3ClFIN2(chlorofluoroiodomethyl)hydrazineN96NNC(Cl)(F)(I)InChI=1S/CH3ClFIN2/c2-1(3,4)6-5/h6H,5H2InChIKey=GNHCHDGPBNJHCT-UHFFFAOYSA-N183.8Ex 183.78(BP est) 24.21(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(F)(I) 24.2PredN
CC(Cl)(I)Cl12147224.85C2H3Cl2I1,1-dichloro-1-iodoethaneN85CC(Cl)(I)ClInChI=1S/C2H3Cl2I/c1-2(3,4)5/h1H3InChIKey=DYFVAKXBFVCNRY-UHFFFAOYSA-N140.0Ex 140.01(BP est) -36.22(MP est) ----(BP exp) ----(MP exp) CC(Cl)(I)Cl -36.2PredN
C(I)(C(Cl)Cl)12148224.85C2H3Cl2I1,1-dichloro-2-iodoethaneN85C(I)(C(Cl)Cl)InChI=1S/C2H3Cl2I/c3-2(4)1-5/h2H,1H2InChIKey=INIVJFOQJKSIQD-UHFFFAOYSA-N172.4Ex 172.38(BP est) -35.48(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)Cl) -35.5PredN
C(Cl)(C(Cl)I)12149224.85C2H3Cl2I1,2-dichloro-1-iodoethaneN85C(Cl)(C(Cl)I)InChI=1S/C2H3Cl2I/c3-1-2(4)5/h2H,1H2InChIKey=WMAIPURLCMGOTA-UHFFFAOYSA-N183.8Ex 183.78(BP est) -32.16(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)I) -32.2PredN
NOC(F)(I)Cl12150225.386CH2ClFINOO-(chlorofluoroiodomethyl)hydroxylamineN86NOC(F)(I)ClInChI=1S/CH2ClFINO/c2-1(3,4)6-5/h5H2InChIKey=XDXKXAXXQHEZTN-UHFFFAOYSA-N166.3Ex 166.32(BP est) 3.90(MP est) ----(BP exp) ----(MP exp) NOC(F)(I)Cl 3.9PredN
NC(Cl)(Cl)(I)12152225.838CH2Cl2INdichloroiodomethanamineN75NC(Cl)(Cl)(I)InChI=1S/CH2Cl2IN/c2-1(3,4)5/h5H2InChIKey=VWNRCYLOTYQMJI-UHFFFAOYSA-N175.9Ex 175.89(BP est) 10.25(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)(I) 10.3PredN
F[Si](F)(CI)F12155226.012CH2F3ISitrifluoro(iodomethyl)silaneN86F[Si](F)(CI)FInChI=1S/CH2F3ISi/c2-6(3,4)1-5/h1H2InChIKey=PAJKUSHHWKIIKU-UHFFFAOYSA-N70.9Ex 70.88(BP est) -88.36(MP est) ----(BP exp) ----(MP exp) F[Si](F)(CI)F -88.4PredN
C(Br)(Br)(Cl)(F)12158226.267CBr2ClFdibromochlorofluoromethaneN55C(Br)(Br)(Cl)(F)InChI=1S/CBr2ClF/c2-1(3,4)5InChIKey=HEDKQVNHJZBFQR-UHFFFAOYSA-N81.0Ex 123.84(BP est) -30.48(MP est) 80.30(BP exp) ----(MP exp) C(Br)(Br)(Cl)(F) -30.5PredN
PC(I)(Cl)F12159226.354CH2ClFIP(chlorofluoroiodomethyl)phosphaneN75PC(I)(Cl)FInChI=1S/CH2ClFIP/c2-1(3,4)5/h5H2InChIKey=DRHXMDIMJMDICO-UHFFFAOYSA-N141.0Ex 140.97(BP est) -40.56(MP est) ----(BP exp) ----(MP exp) PC(I)(Cl)F -40.6PredN
C(I)(C(Cl)(F)F)12160226.389C2H2ClF2I1-chloro-1,1-difluoro-2-iodoethaneN86C(I)(C(Cl)(F)F)InChI=1S/C2H2ClF2I/c3-2(4,5)1-6/h1H2InChIKey=RHJXZZUNOTUJJW-UHFFFAOYSA-N107.8Ex 107.84(BP est) -59.99(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)(F)F) -60PredN
C(F)(C(Cl)(F)I)12161226.389C2H2ClF2I1-chloro-1,2-difluoro-1-iodoethaneN86C(F)(C(Cl)(F)I)InChI=1S/C2H2ClF2I/c3-2(5,6)1-4/h1H2InChIKey=KDKNTWWZAFSTLB-UHFFFAOYSA-N107.8Ex 107.84(BP est) -59.99(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)(F)I) -60PredN
C(Cl)(F)(C(F)I)12162226.389C2H2ClF2I1-chloro-1,2-difluoro-2-iodoethaneN86C(Cl)(F)(C(F)I)InChI=1S/C2H2ClF2I/c3-1(4)2(5)6/h1-2HInChIKey=UHYGNBZVVHFOLL-UHFFFAOYSA-N115.8Ex 115.81(BP est) -73.87(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(F)I) -73.9PredN
C(Cl)(I)(C(F)F)12163226.389C2H2ClF2I1-chloro-2,2-difluoro-1-iodoethaneN86C(Cl)(I)(C(F)F)InChI=1S/C2H2ClF2I/c3-1(6)2(4)5/h1-2HInChIKey=ZMRPZXTUTVCDCX-UHFFFAOYSA-N115.8Ex 115.81(BP est) -73.87(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C(F)F) -73.9PredN
C(Cl)(C(F)(F)I)12164226.389C2H2ClF2I2-chloro-1,1-difluoro-1-iodoethaneN86C(Cl)(C(F)(F)I)InChI=1S/C2H2ClF2I/c3-1-2(4,5)6/h1H2InChIKey=JNXJMZGAMXCNDP-UHFFFAOYSA-N133.2Ex 133.17(BP est) -52.59(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)(F)I) -52.6PredN
SC(Cl)(F)(I)12165226.432CHClFISchlorofluoroiodomethanethiolN65SC(Cl)(F)(I)InChI=1S/CHClFIS/c2-1(3,4)5/h5HInChIKey=AOYWOTJHFJJLTR-UHFFFAOYSA-N161.5Ex 161.51(BP est) -32.02(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(I) -32PredN
C(Cl)(Cl)(F)(I)12169228.814CCl2FIdichlorofluoroiodomethaneN55C(Cl)(Cl)(F)(I)InChI=1S/CCl2FI/c2-1(3,4)5InChIKey=GOKDNAMGHVQFQQ-UHFFFAOYSA-N80.4Ex 119.38(BP est) -47.59(MP est) 90.00(BP exp) -107.00(MP exp) C(Cl)(Cl)(F)(I) -107ExptN
PC(C#C)(Br)Br12171229.839C3H3Br2P(1,1-dibromoprop-2-yn-1-yl)phosphaneN96PC(C#C)(Br)BrInChI=1S/C3H3Br2P/c1-2-3(4,5)6/h1H,6H2InChIKey=GOYQFVVXUSYZGA-UHFFFAOYSA-N193.1Ex 193.12(BP est) 24.94(MP est) ----(BP exp) ----(MP exp) PC(C#C)(Br)Br 24.9PredN
PC(Br)C#CBr12172229.839C3H3Br2P(1,3-dibromoprop-2-yn-1-yl)phosphaneN96PC(Br)C#CBrInChI=1S/C3H3Br2P/c4-2-1-3(5)6/h3H,6H2InChIKey=XXVQJNGLDXBLGR-UHFFFAOYSA-N208.4Ex 208.42(BP est) 29.14(MP est) ----(BP exp) ----(MP exp) PC(Br)C#CBr 29.1PredN
BrCPC#CBr12173229.839C3H3Br2P(bromoethynyl)(bromomethyl)phosphaneN96BrCPC#CBrInChI=1S/C3H3Br2P/c4-1-2-6-3-5/h6H,3H2InChIKey=CQRPBIJSWSATAM-UHFFFAOYSA-N203.4Ex 203.38(BP est) 26.60(MP est) ----(BP exp) ----(MP exp) BrCPC#CBr 26.6PredN
BrC(PC#C)Br12174229.839C3H3Br2P(dibromomethyl)(ethynyl)phosphaneN96BrC(PC#C)BrInChI=1S/C3H3Br2P/c1-2-6-3(4)5/h1,3,6HInChIKey=IQWVAROIQVXRKU-UHFFFAOYSA-N183.7Ex 183.67(BP est) 5.28(MP est) ----(BP exp) ----(MP exp) BrC(PC#C)Br 5.3PredN
BrC1(Br)C=CP112175229.839C3H3Br2P2,2-dibromo-1,2-dihydrophospheteN96BrC1(Br)C=CP1InChI=1S/C3H3Br2P/c4-3(5)1-2-6-3/h1-2,6HInChIKey=XIVFOTVJSUILQV-UHFFFAOYSA-N184.2Ex 184.20(BP est) 10.75(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C=CP1 10.8PredN
BrC1C(Br)=CP112176229.839C3H3Br2P2,3-dibromo-1,2-dihydrophospheteN96BrC1C(Br)=CP1InChI=1S/C3H3Br2P/c4-2-1-6-3(2)5/h1,3,6HInChIKey=RZAUBFVIAPINKO-UHFFFAOYSA-N193.2Ex 193.21(BP est) 7.69(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)=CP1 7.7PredN
BrC1C=C(Br)P112177229.839C3H3Br2P2,4-dibromo-1,2-dihydrophospheteN96BrC1C=C(Br)P1InChI=1S/C3H3Br2P/c4-2-1-3(5)6-2/h1-2,6HInChIKey=ZAHYVZGSNDRZHJ-UHFFFAOYSA-N193.2Ex 193.21(BP est) 7.69(MP est) ----(BP exp) ----(MP exp) BrC1C=C(Br)P1 7.7PredN
BrC1=C(CP1)Br12178229.839C3H3Br2P3,4-dibromo-1,2-dihydrophospheteN96BrC1=C(CP1)BrInChI=1S/C3H3Br2P/c4-2-1-6-3(2)5/h6H,1H2InChIKey=BQQLKRQBDCYSCY-UHFFFAOYSA-N197.3Ex 197.32(BP est) 17.27(MP est) ----(BP exp) ----(MP exp) BrC1=C(CP1)Br 17.3PredN
BrC(Br)C1=CS112179229.917C3H2Br2S2-(dibromomethyl)thiireneN86BrC(Br)C1=CS1InChI=1S/C3H2Br2S/c4-3(5)2-1-6-2/h1,3HInChIKey=MESZAQWTFCQGOH-UHFFFAOYSA-N208.5Ex 208.52(BP est) 28.04(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1=CS1 28PredN
BrC(S1)=C1CBr12180229.917C3H2Br2S2-bromo-3-(bromomethyl)thiireneN86BrC(S1)=C1CBrInChI=1S/C3H2Br2S/c4-1-2-3(5)6-2/h1H2InChIKey=FERZRBADGFSRFP-UHFFFAOYSA-N218.5Ex 218.49(BP est) 34.30(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1CBr 34.3PredN
C(Br)#C(I)12182230.83C2BrI1-bromo-2-iodoethyneN44C(Br)#C(I)InChI=1S/C2BrI/c3-1-2-4InChIKey=LKVRROKBWNSECY-UHFFFAOYSA-N178.8Ex 178.76(BP est) 26.91(MP est) ----(BP exp) ----(MP exp) C(Br)#C(I) 26.9PredN
O=PC(Br)=CBr12183231.811C2HBr2OP(1,2-dibromovinyl)(oxo)phosphaneN76O=PC(Br)=CBrInChI=1S/C2HBr2OP/c3-1-2(4)6-5/h1HInChIKey=LBUAJXZCRPSCLW-UHFFFAOYSA-N225.6Ex 225.63(BP est) 12.08(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=CBr 12.1PredN
O=PC=C(Br)Br12184231.811C2HBr2OP(2,2-dibromovinyl)(oxo)phosphaneN76O=PC=C(Br)BrInChI=1S/C2HBr2OP/c3-2(4)1-6-5/h1HInChIKey=LYLFUGBURYFCEG-UHFFFAOYSA-N225.6Ex 225.63(BP est) 12.08(MP est) ----(BP exp) ----(MP exp) O=PC=C(Br)Br 12.1PredN
PC(C=C)(Br)Br12185231.855C3H5Br2P(1,1-dibromoallyl)phosphaneN116PC(C=C)(Br)BrInChI=1S/C3H5Br2P/c1-2-3(4,5)6/h2H,1,6H2InChIKey=VGEGNUZYVATFEJ-UHFFFAOYSA-N184.4Ex 184.43(BP est) -1.97(MP est) ----(BP exp) ----(MP exp) PC(C=C)(Br)Br -2PredN
PC(Br)C(Br)=C12186231.855C3H5Br2P(1,2-dibromoallyl)phosphaneN116PC(Br)C(Br)=CInChI=1S/C3H5Br2P/c1-2(4)3(5)6/h3H,1,6H2InChIKey=QSSVWBCAGAKFRI-UHFFFAOYSA-N187.0Ex 186.97(BP est) -16.91(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Br)=C -16.9PredN
CPC(Br)=CBr12187231.855C3H5Br2P(1,2-dibromovinyl)(methyl)phosphaneN116CPC(Br)=CBrInChI=1S/C3H5Br2P/c1-6-3(5)2-4/h2,6H,1H3InChIKey=RMMOSWAPCRFXQO-UHFFFAOYSA-N189.6Ex 189.55(BP est) -18.51(MP est) ----(BP exp) ----(MP exp) CPC(Br)=CBr -18.5PredN
PC(Br)C=CBr12188231.855C3H5Br2P(1,3-dibromoallyl)phosphaneN116PC(Br)C=CBrInChI=1S/C3H5Br2P/c4-2-1-3(5)6/h1-3H,6H2InChIKey=AXDQOVNCUISFOF-UHFFFAOYSA-N200.2Ex 200.21(BP est) -7.73(MP est) ----(BP exp) ----(MP exp) PC(Br)C=CBr -7.7PredN
CPC=C(Br)Br12189231.855C3H5Br2P(2,2-dibromovinyl)(methyl)phosphaneN116CPC=C(Br)BrInChI=1S/C3H5Br2P/c1-6-2-3(4)5/h2,6H,1H3InChIKey=PAVAUANMLDSKOG-UHFFFAOYSA-N189.6Ex 189.55(BP est) -18.51(MP est) ----(BP exp) ----(MP exp) CPC=C(Br)Br -18.5PredN
PCC(Br)=CBr12190231.855C3H5Br2P(2,3-dibromoallyl)phosphaneN116PCC(Br)=CBrInChI=1S/C3H5Br2P/c4-1-3(5)2-6/h1H,2,6H2InChIKey=PCLUPSDRJPIGIX-UHFFFAOYSA-N206.7Ex 206.73(BP est) -5.31(MP est) ----(BP exp) ----(MP exp) PCC(Br)=CBr -5.3PredN
PCC=C(Br)Br12191231.855C3H5Br2P(3,3-dibromoallyl)phosphaneN116PCC=C(Br)BrInChI=1S/C3H5Br2P/c4-3(5)1-2-6/h1H,2,6H2InChIKey=KNOHGEDIXGPTNY-UHFFFAOYSA-N206.7Ex 206.73(BP est) -5.31(MP est) ----(BP exp) ----(MP exp) PCC=C(Br)Br -5.3PredN
BrCPC(Br)=C12192231.855C3H5Br2P(bromomethyl)(1-bromovinyl)phosphaneN116BrCPC(Br)=CInChI=1S/C3H5Br2P/c1-3(5)6-2-4/h6H,1-2H2InChIKey=BKIULUHXVMKRNO-UHFFFAOYSA-N181.7Ex 181.69(BP est) -19.14(MP est) ----(BP exp) ----(MP exp) BrCPC(Br)=C -19.1PredN
BrCPC=CBr12193231.855C3H5Br2P(bromomethyl)(2-bromovinyl)phosphaneN116BrCPC=CBrInChI=1S/C3H5Br2P/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=LMVCRMYOYMUANK-UHFFFAOYSA-N195.1Ex 195.08(BP est) -9.91(MP est) ----(BP exp) ----(MP exp) BrCPC=CBr -9.9PredN
BrC(PC=C)Br12194231.855C3H5Br2P(dibromomethyl)(vinyl)phosphaneN116BrC(PC=C)BrInChI=1S/C3H5Br2P/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=LHUKXKAIRIJQOU-UHFFFAOYSA-N174.8Ex 174.80(BP est) -21.67(MP est) ----(BP exp) ----(MP exp) BrC(PC=C)Br -21.7PredN
BrC(P1CC1)Br12195231.855C3H5Br2P1-(dibromomethyl)phosphiraneN116BrC(P1CC1)BrInChI=1S/C3H5Br2P/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=ZYRLUXXODMHZJJ-UHFFFAOYSA-N184.9Ex 184.85(BP est) -5.69(MP est) ----(BP exp) ----(MP exp) BrC(P1CC1)Br -5.7PredN
CP1C(Br)(Br)C112196231.855C3H5Br2P2,2-dibromo-1-methylphosphiraneN116CP1C(Br)(Br)C1InChI=1S/C3H5Br2P/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=SEQGGHVZESJJEB-UHFFFAOYSA-N180.4Ex 180.41(BP est) 10.34(MP est) ----(BP exp) ----(MP exp) CP1C(Br)(Br)C1 10.3PredN
BrC1(Br)CCP112197231.855C3H5Br2P2,2-dibromophosphetaneN116BrC1(Br)CCP1InChI=1S/C3H5Br2P/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=OXVHLWRUGXZNKU-UHFFFAOYSA-N181.5Ex 181.48(BP est) 9.58(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CCP1 9.6PredN
CP1C(Br)C1Br12198231.855C3H5Br2P2,3-dibromo-1-methylphosphiraneN116CP1C(Br)C1BrInChI=1S/C3H5Br2P/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=YHTVBCRKDQJCGJ-UHFFFAOYSA-N185.3Ex 185.33(BP est) -2.30(MP est) ----(BP exp) ----(MP exp) CP1C(Br)C1Br -2.3PredN
BrC1C(Br)CP112199231.855C3H5Br2P2,3-dibromophosphetaneN116BrC1C(Br)CP1InChI=1S/C3H5Br2P/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=PCMYAMCLXGBUEY-UHFFFAOYSA-N186.4Ex 186.39(BP est) -3.06(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)CP1 -3.1PredN
BrC1CC(Br)P112200231.855C3H5Br2P2,4-dibromophosphetaneN116BrC1CC(Br)P1InChI=1S/C3H5Br2P/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=HBBQNUJLZKYENO-UHFFFAOYSA-N186.4Ex 186.39(BP est) -3.06(MP est) ----(BP exp) ----(MP exp) BrC1CC(Br)P1 -3.1PredN
BrCP1C(Br)C112201231.855C3H5Br2P2-bromo-1-(bromomethyl)phosphiraneN116BrCP1C(Br)C1InChI=1S/C3H5Br2P/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=BPIZZVNVCJYDRG-UHFFFAOYSA-N191.3Ex 191.25(BP est) 1.55(MP est) ----(BP exp) ----(MP exp) BrCP1C(Br)C1 1.6PredN
BrC1(Br)CPC112202231.855C3H5Br2P3,3-dibromophosphetaneN116BrC1(Br)CPC1InChI=1S/C3H5Br2P/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=ZSUWJZQDCOZCKO-UHFFFAOYSA-N181.5Ex 181.48(BP est) 9.58(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CPC1 9.6PredN
CSC(Br)=C(Br)12203231.933C3H4Br2S(1,2-dibromovinyl)(methyl)sulfaneN106CSC(Br)=C(Br)InChI=1S/C3H4Br2S/c1-6-3(5)2-4/h2H,1H3InChIKey=IPEOCTAXAVALBF-UHFFFAOYSA-N213.2Ex 213.21(BP est) -1.90(MP est) ----(BP exp) ----(MP exp) CSC(Br)=C(Br) -1.9PredN
CSC=C(Br)(Br)12204231.933C3H4Br2S(2,2-dibromovinyl)(methyl)sulfaneN106CSC=C(Br)(Br)InChI=1S/C3H4Br2S/c1-6-2-3(4)5/h2H,1H3InChIKey=NTZNVFFNBIENRW-UHFFFAOYSA-N213.2Ex 213.21(BP est) -1.90(MP est) ----(BP exp) ----(MP exp) CSC=C(Br)(Br) -1.9PredN
C(Br)SC(Br)=C12205231.933C3H4Br2S(bromomethyl)(1-bromovinyl)sulfaneN106C(Br)SC(Br)=CInChI=1S/C3H4Br2S/c1-3(5)6-2-4/h1-2H2InChIKey=IEEUTFGIEUTBIN-UHFFFAOYSA-N205.8Ex 205.76(BP est) -2.42(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Br)=C -2.4PredN
C(Br)SC=C(Br)12206231.933C3H4Br2S(bromomethyl)(2-bromovinyl)sulfaneN106C(Br)SC=C(Br)InChI=1S/C3H4Br2S/c4-1-2-6-3-5/h1-2H,3H2InChIKey=IEQGETDMMOMRFX-UHFFFAOYSA-N218.5Ex 218.45(BP est) 6.61(MP est) ----(BP exp) ----(MP exp) C(Br)SC=C(Br) 6.6PredN
C(Br)(Br)SC=C12207231.933C3H4Br2S(dibromomethyl)(vinyl)sulfaneN106C(Br)(Br)SC=CInChI=1S/C3H4Br2S/c1-2-6-3(4)5/h2-3H,1H2InChIKey=HFXJIZYBOVHTLX-UHFFFAOYSA-N199.2Ex 199.23(BP est) -4.84(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)SC=C -4.8PredN
BrC(Br)C1CS112208231.933C3H4Br2S2-(dibromomethyl)thiiraneN106BrC(Br)C1CS1InChI=1S/C3H4Br2S/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=SQBUNTZRVNDROF-UHFFFAOYSA-N201.9Ex 201.93(BP est) 27.32(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1CS1 27.3PredN
BrC1(Br)C(C)S112209231.933C3H4Br2S2,2-dibromo-3-methylthiiraneN106BrC1(Br)C(C)S1InChI=1S/C3H4Br2S/c1-2-3(4,5)6-2/h2H,1H3InChIKey=KXQBAZODCLVAGE-UHFFFAOYSA-N197.7Ex 197.65(BP est) 22.57(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C(C)S1 22.6PredN
BrC1(Br)SCC112210231.933C3H4Br2S2,2-dibromothietaneN106BrC1(Br)SCC1InChI=1S/C3H4Br2S/c4-3(5)1-2-6-3/h1-2H2InChIKey=MQMXDSPIJMUALV-UHFFFAOYSA-N205.2Ex 205.22(BP est) 32.70(MP est) ----(BP exp) ----(MP exp) BrC1(Br)SCC1 32.7PredN
BrC1C(Br)(C)S112211231.933C3H4Br2S2,3-dibromo-2-methylthiiraneN106BrC1C(Br)(C)S1InChI=1S/C3H4Br2S/c1-3(5)2(4)6-3/h2H,1H3InChIKey=HKORUNRPORFMRF-UHFFFAOYSA-N197.7Ex 197.65(BP est) 22.57(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(C)S1 22.6PredN
BrC1SCC1Br12212231.933C3H4Br2S2,3-dibromothietaneN106BrC1SCC1BrInChI=1S/C3H4Br2S/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=KBJXUIMWEOWUFO-UHFFFAOYSA-N209.9Ex 209.87(BP est) 25.14(MP est) ----(BP exp) ----(MP exp) BrC1SCC1Br 25.1PredN
BrC1CC(Br)S112213231.933C3H4Br2S2,4-dibromothietaneN106BrC1CC(Br)S1InChI=1S/C3H4Br2S/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=QBWOOLUZYOQIIT-UHFFFAOYSA-N209.9Ex 209.87(BP est) 25.14(MP est) ----(BP exp) ----(MP exp) BrC1CC(Br)S1 25.1PredN
BrC1(CBr)CS112214231.933C3H4Br2S2-bromo-2-(bromomethyl)thiiraneN106BrC1(CBr)CS1InChI=1S/C3H4Br2S/c4-1-3(5)2-6-3/h1-2H2InChIKey=AWBBDNBSFNAAFP-UHFFFAOYSA-N203.4Ex 203.41(BP est) 26.16(MP est) ----(BP exp) ----(MP exp) BrC1(CBr)CS1 26.2PredN
BrC1C(CBr)S112215231.933C3H4Br2S2-bromo-3-(bromomethyl)thiiraneN106BrC1C(CBr)S1InChI=1S/C3H4Br2S/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=AXVULHAGSHVGBJ-UHFFFAOYSA-N208.1Ex 208.09(BP est) 25.61(MP est) ----(BP exp) ----(MP exp) BrC1C(CBr)S1 25.6PredN
BrC1(Br)CSC112216231.933C3H4Br2S3,3-dibromothietaneN106BrC1(Br)CSC1InChI=1S/C3H4Br2S/c4-3(5)1-6-2-3/h1-2H2InChIKey=CGOMTTOJUMUCAF-UHFFFAOYSA-N205.2Ex 205.22(BP est) 32.70(MP est) ----(BP exp) ----(MP exp) BrC1(Br)CSC1 32.7PredN
BrC(C1Cl)=C1Br12217232.299C3HBr2Cl1,2-dibromo-3-chlorocycloprop-1-eneN76BrC(C1Cl)=C1BrInChI=1S/C3HBr2Cl/c4-1-2(5)3(1)6/h3HInChIKey=JOWQYVFFXJBSCS-UHFFFAOYSA-N200.7Ex 200.69(BP est) 23.60(MP est) ----(BP exp) ----(MP exp) BrC(C1Cl)=C1Br 23.6PredN
ClC(C1Br)=C1Br12218232.299C3HBr2Cl1,3-dibromo-2-chlorocycloprop-1-eneN76ClC(C1Br)=C1BrInChI=1S/C3HBr2Cl/c4-1-2(5)3(1)6/h1HInChIKey=SWRZKPUOEMTZAT-UHFFFAOYSA-N187.9Ex 187.93(BP est) 19.87(MP est) ----(BP exp) ----(MP exp) ClC(C1Br)=C1Br 19.9PredN
BrC1=CC1(Cl)Br12219232.299C3HBr2Cl1,3-dibromo-3-chlorocycloprop-1-eneN76BrC1=CC1(Cl)BrInChI=1S/C3HBr2Cl/c4-2-1-3(2,5)6/h1HInChIKey=XNXYRBATCPUZFA-UHFFFAOYSA-N180.7Ex 180.65(BP est) 23.43(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(Cl)Br 23.4PredN
C(Br)(Cl)(C#CBr)12220232.299C3HBr2Cl1,3-dibromo-3-chloroprop-1-yneN76C(Br)(Cl)(C#CBr)InChI=1S/C3HBr2Cl/c4-2-1-3(5)6/h3HInChIKey=HZNMFUGHSWMTMM-UHFFFAOYSA-N200.5Ex 200.53(BP est) 25.33(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C#CBr) 25.3PredN
ClC1=CC1(Br)Br12221232.299C3HBr2Cl3,3-dibromo-1-chlorocycloprop-1-eneN76ClC1=CC1(Br)BrInChI=1S/C3HBr2Cl/c4-3(5)1-2(3)6/h1HInChIKey=JZGYGEBNKMIWLK-UHFFFAOYSA-N178.8Ex 178.80(BP est) 22.90(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(Br)Br 22.9PredN
C(Br)(Br)(C#CCl)12222232.299C3HBr2Cl3,3-dibromo-1-chloroprop-1-yneN76C(Br)(Br)(C#CCl)InChI=1S/C3HBr2Cl/c4-3(5)1-2-6/h3HInChIKey=IGXKFUPGJVAWJK-UHFFFAOYSA-N187.8Ex 187.76(BP est) 19.73(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C#CCl) 19.7PredN
C(Br)(Br)(Cl)(C#C)12223232.299C3HBr2Cl3,3-dibromo-3-chloroprop-1-yneN76C(Br)(Br)(Cl)(C#C)InChI=1S/C3HBr2Cl/c1-2-3(4,5)6/h1HInChIKey=DUNFLXUBZAQPTG-UHFFFAOYSA-N173.6Ex 173.62(BP est) 18.52(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(Cl)(C#C) 18.5PredN
PC(C#C)(Cl)I12224232.385C3H3ClIP(1-chloro-1-iodoprop-2-yn-1-yl)phosphaneN96PC(C#C)(Cl)IInChI=1S/C3H3ClIP/c1-2-3(4,5)6/h1H,6H2InChIKey=ZBXRMHRMXVGCSI-UHFFFAOYSA-N189.2Ex 189.22(BP est) 7.99(MP est) ----(BP exp) ----(MP exp) PC(C#C)(Cl)I 8PredN
PC(Cl)C#CI12225232.385C3H3ClIP(1-chloro-3-iodoprop-2-yn-1-yl)phosphaneN96PC(Cl)C#CIInChI=1S/C3H3ClIP/c4-3(6)1-2-5/h3H,6H2InChIKey=AYSFWWIZPNQXRG-UHFFFAOYSA-N215.2Ex 215.23(BP est) 28.29(MP est) ----(BP exp) ----(MP exp) PC(Cl)C#CI 28.3PredN
PC(I)C#CCl12226232.385C3H3ClIP(3-chloro-1-iodoprop-2-yn-1-yl)phosphaneN96PC(I)C#CClInChI=1S/C3H3ClIP/c4-2-1-3(5)6/h3H,6H2InChIKey=JUVDWQBCZMWYTI-UHFFFAOYSA-N202.9Ex 202.89(BP est) 23.49(MP est) ----(BP exp) ----(MP exp) PC(I)C#CCl 23.5PredN
ICPC#CCl12227232.385C3H3ClIP(chloroethynyl)(iodomethyl)phosphaneN96ICPC#CClInChI=1S/C3H3ClIP/c4-1-2-6-3-5/h6H,3H2InChIKey=ILFHNOSLEHDYAM-UHFFFAOYSA-N197.8Ex 197.79(BP est) 21.05(MP est) ----(BP exp) ----(MP exp) ICPC#CCl 21.1PredN
ClC(PC#C)I12228232.385C3H3ClIP(chloroiodomethyl)(ethynyl)phosphaneN96ClC(PC#C)IInChI=1S/C3H3ClIP/c1-2-6-3(4)5/h1,3,6HInChIKey=IWLFMIRXLNBJTQ-UHFFFAOYSA-N190.9Ex 190.87(BP est) -8.43(MP est) ----(BP exp) ----(MP exp) ClC(PC#C)I -8.4PredN
ClCPC#CI12229232.385C3H3ClIP(chloromethyl)(iodoethynyl)phosphaneN96ClCPC#CIInChI=1S/C3H3ClIP/c4-3-6-2-1-5/h6H,3H2InChIKey=GTVZQTAITOQMPO-UHFFFAOYSA-N220.8Ex 220.75(BP est) 29.99(MP est) ----(BP exp) ----(MP exp) ClCPC#CI 30PredN
ClC1(I)C=CP112230232.385C3H3ClIP2-chloro-2-iodo-1,2-dihydrophospheteN96ClC1(I)C=CP1InChI=1S/C3H3ClIP/c4-3(5)1-2-6-3/h1-2,6HInChIKey=YKBATCCUFCVPGP-UHFFFAOYSA-N180.2Ex 180.21(BP est) -6.22(MP est) ----(BP exp) ----(MP exp) ClC1(I)C=CP1 -6.2PredN
ClC1C(I)=CP112231232.385C3H3ClIP2-chloro-3-iodo-1,2-dihydrophospheteN96ClC1C(I)=CP1InChI=1S/C3H3ClIP/c4-3-2(5)1-6-3/h1,3,6HInChIKey=SLMMNWUTYVPLFM-UHFFFAOYSA-N200.3Ex 200.27(BP est) -6.06(MP est) ----(BP exp) ----(MP exp) ClC1C(I)=CP1 -6.1PredN
ClC1C=C(I)P112232232.385C3H3ClIP2-chloro-4-iodo-1,2-dihydrophospheteN96ClC1C=C(I)P1InChI=1S/C3H3ClIP/c4-2-1-3(5)6-2/h1-2,6HInChIKey=IJUYHYBBDNAKBV-UHFFFAOYSA-N200.3Ex 200.27(BP est) -6.06(MP est) ----(BP exp) ----(MP exp) ClC1C=C(I)P1 -6.1PredN
IC1C(Cl)=CP112233232.385C3H3ClIP3-chloro-2-iodo-1,2-dihydrophospheteN96IC1C(Cl)=CP1InChI=1S/C3H3ClIP/c4-2-1-6-3(2)5/h1,3,6HInChIKey=MTLWQBNZWWOYGP-UHFFFAOYSA-N187.5Ex 187.49(BP est) -9.79(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)=CP1 -9.8PredN
IC1=C(CP1)Cl12234232.385C3H3ClIP3-chloro-4-iodo-1,2-dihydrophospheteN96IC1=C(CP1)ClInChI=1S/C3H3ClIP/c4-2-1-6-3(2)5/h6H,1H2InChIKey=AZIRHAAYAPPDNS-UHFFFAOYSA-N191.7Ex 191.65(BP est) -0.19(MP est) ----(BP exp) ----(MP exp) IC1=C(CP1)Cl -0.2PredN
IC1C=C(Cl)P112235232.385C3H3ClIP4-chloro-2-iodo-1,2-dihydrophospheteN96IC1C=C(Cl)P1InChI=1S/C3H3ClIP/c4-2-1-3(5)6-2/h1,3,6HInChIKey=VCKBGUMXEACFNX-UHFFFAOYSA-N187.5Ex 187.49(BP est) -9.79(MP est) ----(BP exp) ----(MP exp) IC1C=C(Cl)P1 -9.8PredN
ClC1=C(CP1)I12236232.385C3H3ClIP4-chloro-3-iodo-1,2-dihydrophospheteN96ClC1=C(CP1)IInChI=1S/C3H3ClIP/c4-3-2(5)1-6-3/h6H,1H2InChIKey=XUDPURNUKXUYMN-UHFFFAOYSA-N191.7Ex 191.65(BP est) -0.19(MP est) ----(BP exp) ----(MP exp) ClC1=C(CP1)I -0.2PredN
ClC(I)C1=CS112237232.463C3H2ClIS2-(chloroiodomethyl)thiireneN86ClC(I)C1=CS1InChI=1S/C3H2ClIS/c4-3(5)2-1-6-2/h1,3HInChIKey=VZRDPVRSVHZGND-UHFFFAOYSA-N215.3Ex 215.33(BP est) 24.19(MP est) ----(BP exp) ----(MP exp) ClC(I)C1=CS1 24.2PredN
IC(S1)=C1CCl12238232.463C3H2ClIS2-(chloromethyl)-3-iodothiireneN86IC(S1)=C1CClInChI=1S/C3H2ClIS/c4-1-2-3(5)6-2/h1H2InChIKey=HCUXHCJFKWPQOJ-UHFFFAOYSA-N235.2Ex 235.23(BP est) 37.07(MP est) ----(BP exp) ----(MP exp) IC(S1)=C1CCl 37.1PredN
ClC(S1)=C1CI12239232.463C3H2ClIS2-chloro-3-(iodomethyl)thiireneN86ClC(S1)=C1CIInChI=1S/C3H2ClIS/c4-3-2(1-5)6-3/h1H2InChIKey=XGPDOSZKJFJMDM-UHFFFAOYSA-N213.1Ex 213.10(BP est) 28.45(MP est) ----(BP exp) ----(MP exp) ClC(S1)=C1CI 28.5PredN
C=C(I)Br12240232.846C2H2BrI1-bromo-1-iodoetheneN64C=C(I)BrInChI=1S/C2H2BrI/c1-2(3)4/h1H2InChIKey=ADBIVNUPVFHKTR-UHFFFAOYSA-N155.9Ex 155.89(BP est) -40.68(MP est) ----(BP exp) ----(MP exp) C=C(I)Br -40.7PredN
C(Br)=C(I)12241232.846C2H2BrI1-bromo-2-iodoetheneN64C(Br)=C(I)InChI=1S/C2H2BrI/c3-1-2-4/h1-2HInChIKey=UTDMSJMYYBXEPR-UHFFFAOYSA-N148.7Ex 170.00(BP est) -31.24(MP est) ----(BP exp) ----(MP exp) C(Br)=C(I) -31.2PredN
O=PC(C)(Br)Br12246233.827C2H3Br2OP(1,1-dibromoethyl)(oxo)phosphaneN96O=PC(C)(Br)BrInChI=1S/C2H3Br2OP/c1-2(3,4)6-5/h1H3InChIKey=WHGSPMPJGBQOAS-UHFFFAOYSA-N205.8Ex 205.80(BP est) 17.02(MP est) ----(BP exp) ----(MP exp) O=PC(C)(Br)Br 17PredN
O=PC(Br)CBr12247233.827C2H3Br2OP(1,2-dibromoethyl)(oxo)phosphaneN96O=PC(Br)CBrInChI=1S/C2H3Br2OP/c3-1-2(4)6-5/h2H,1H2InChIKey=YKHUBJXPPZZWQW-UHFFFAOYSA-N213.5Ex 213.51(BP est) 10.56(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CBr 10.6PredN
O=PCC(Br)Br12249233.827C2H3Br2OP(2,2-dibromoethyl)(oxo)phosphaneN96O=PCC(Br)BrInChI=1S/C2H3Br2OP/c3-2(4)1-6-5/h2H,1H2InChIKey=JIDWRUWIWFDPNT-UHFFFAOYSA-N213.5Ex 213.51(BP est) 10.56(MP est) ----(BP exp) ----(MP exp) O=PCC(Br)Br 10.6PredN
O=P1C(Br)(Br)C112252233.827C2H3Br2OP2,2-dibromophosphirane 1-oxideN96O=P1C(Br)(Br)C1InChI=1S/C2H3Br2OP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=CRDURMWHDQZZLJ-UHFFFAOYSA-N214.7Ex 214.69(BP est) 25.83(MP est) ----(BP exp) ----(MP exp) O=P1C(Br)(Br)C1 25.8PredN
O=P1C(Br)C1Br12254233.827C2H3Br2OP2,3-dibromophosphirane 1-oxideN96O=P1C(Br)C1BrInChI=1S/C2H3Br2OP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=UFEXQDLUWHZRHN-UHFFFAOYSA-N219.2Ex 219.24(BP est) 20.16(MP est) ----(BP exp) ----(MP exp) O=P1C(Br)C1Br 20.2PredN
CPC(C)(Br)Br12255233.871C3H7Br2P(1,1-dibromoethyl)(methyl)phosphaneN136CPC(C)(Br)BrInChI=1S/C3H7Br2P/c1-3(4,5)6-2/h6H,1-2H3InChIKey=WHRVHBNXXAUPKA-UHFFFAOYSA-N168.0Ex 167.99(BP est) -14.07(MP est) ----(BP exp) ----(MP exp) CPC(C)(Br)Br -14.1PredN
PC(CC)(Br)Br12256233.871C3H7Br2P(1,1-dibromopropyl)phosphaneN136PC(CC)(Br)BrInChI=1S/C3H7Br2P/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=JKYBYJXUKRVCFA-UHFFFAOYSA-N186.0Ex 185.97(BP est) -0.64(MP est) ----(BP exp) ----(MP exp) PC(CC)(Br)Br -0.6PredN
CPC(Br)CBr12257233.871C3H7Br2P(1,2-dibromoethyl)(methyl)phosphaneN136CPC(Br)CBrInChI=1S/C3H7Br2P/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=PGMOJWYMXCAXEI-UHFFFAOYSA-N176.4Ex 176.37(BP est) -20.34(MP est) ----(BP exp) ----(MP exp) CPC(Br)CBr -20.3PredN
PC(Br)C(Br)C12258233.871C3H7Br2P(1,2-dibromopropyl)phosphaneN136PC(Br)C(Br)CInChI=1S/C3H7Br2P/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=RLWKIIAOHVPMSM-UHFFFAOYSA-N181.7Ex 181.71(BP est) -18.09(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Br)C -18.1PredN
PC(Br)CCBr12259233.871C3H7Br2P(1,3-dibromopropyl)phosphaneN136PC(Br)CCBrInChI=1S/C3H7Br2P/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=OACDRGZKUZXFTK-UHFFFAOYSA-N194.0Ex 194.04(BP est) -6.99(MP est) ----(BP exp) ----(MP exp) PC(Br)CCBr -7PredN
BrCPC(Br)C12260233.871C3H7Br2P(1-bromoethyl)(bromomethyl)phosphaneN136BrCPC(Br)CInChI=1S/C3H7Br2P/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=BYVAAUUIAYKZRF-UHFFFAOYSA-N176.4Ex 176.37(BP est) -20.34(MP est) ----(BP exp) ----(MP exp) BrCPC(Br)C -20.3PredN
CPCC(Br)Br12261233.871C3H7Br2P(2,2-dibromoethyl)(methyl)phosphaneN136CPCC(Br)BrInChI=1S/C3H7Br2P/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=YZIBCDRMKZKVNP-UHFFFAOYSA-N176.4Ex 176.37(BP est) -20.34(MP est) ----(BP exp) ----(MP exp) CPCC(Br)Br -20.3PredN
PCC(C)(Br)Br12262233.871C3H7Br2P(2,2-dibromopropyl)phosphaneN136PCC(C)(Br)BrInChI=1S/C3H7Br2P/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=GNEHWBICHFTFIY-UHFFFAOYSA-N186.0Ex 185.97(BP est) -0.64(MP est) ----(BP exp) ----(MP exp) PCC(C)(Br)Br -0.6PredN
PCC(Br)CBr12263233.871C3H7Br2P(2,3-dibromopropyl)phosphaneN136PCC(Br)CBrInChI=1S/C3H7Br2P/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=YTXKTCHDQOHXDG-UHFFFAOYSA-N194.0Ex 194.04(BP est) -6.99(MP est) ----(BP exp) ----(MP exp) PCC(Br)CBr -7PredN
BrCPCCBr12264233.871C3H7Br2P(2-bromoethyl)(bromomethyl)phosphaneN136BrCPCCBrInChI=1S/C3H7Br2P/c4-1-2-6-3-5/h6H,1-3H2InChIKey=RXGGGMWNTAAIEV-UHFFFAOYSA-N188.8Ex 188.84(BP est) -9.20(MP est) ----(BP exp) ----(MP exp) BrCPCCBr -9.2PredN
PCCC(Br)Br12265233.871C3H7Br2P(3,3-dibromopropyl)phosphaneN136PCCC(Br)BrInChI=1S/C3H7Br2P/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=DFMPKQMQEPHHFT-UHFFFAOYSA-N194.0Ex 194.04(BP est) -6.99(MP est) ----(BP exp) ----(MP exp) PCCC(Br)Br -7PredN
BrC(PCC)Br12266233.871C3H7Br2P(dibromomethyl)(ethyl)phosphaneN136BrC(PCC)BrInChI=1S/C3H7Br2P/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=BPMSDXJQBCZDFH-UHFFFAOYSA-N176.4Ex 176.37(BP est) -20.34(MP est) ----(BP exp) ----(MP exp) BrC(PCC)Br -20.3PredN
CP(C)C(Br)Br12267233.871C3H7Br2P(dibromomethyl)dimethylphosphaneN136CP(C)C(Br)BrInChI=1S/C3H7Br2P/c1-6(2)3(4)5/h3H,1-2H3InChIKey=GBJBOMQOTYRZSQ-UHFFFAOYSA-N177.2Ex 177.21(BP est) -20.78(MP est) ----(BP exp) ----(MP exp) CP(C)C(Br)Br -20.8PredN
CP(CBr)CBr12268233.871C3H7Br2Pbis(bromomethyl)(methyl)phosphaneN136CP(CBr)CBrInChI=1S/C3H7Br2P/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=ZLCXEAWRZNYNPM-UHFFFAOYSA-N189.7Ex 189.65(BP est) -9.64(MP est) ----(BP exp) ----(MP exp) CP(CBr)CBr -9.6PredN
CSC(Br)(Br)(C)12269233.949C3H6Br2S(1,1-dibromoethyl)(methyl)sulfaneN126CSC(Br)(Br)(C)InChI=1S/C3H6Br2S/c1-3(4,5)6-2/h1-2H3InChIKey=SNFPHWXJFYPCJR-UHFFFAOYSA-N192.8Ex 192.76(BP est) 2.86(MP est) ----(BP exp) ----(MP exp) CSC(Br)(Br)(C) 2.9PredN
CSC(Br)(CBr)12270233.949C3H6Br2S(1,2-dibromoethyl)(methyl)sulfaneN126CSC(Br)(CBr)InChI=1S/C3H6Br2S/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=QOISNTMEDUCZRN-UHFFFAOYSA-N200.7Ex 200.71(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) CSC(Br)(CBr) -3.5PredN
C(Br)SC(Br)(C)12271233.949C3H6Br2S(1-bromoethyl)(bromomethyl)sulfaneN126C(Br)SC(Br)(C)InChI=1S/C3H6Br2S/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=NZVMFGRVYUQAKR-UHFFFAOYSA-N200.7Ex 200.71(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Br)(C) -3.5PredN
CSC(C(Br)Br)12272233.949C3H6Br2S(2,2-dibromoethyl)(methyl)sulfaneN126CSC(C(Br)Br)InChI=1S/C3H6Br2S/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=FCVRKRXTCNGKRM-UHFFFAOYSA-N200.7Ex 200.71(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) CSC(C(Br)Br) -3.5PredN
C(Br)SC(CBr)12273233.949C3H6Br2S(2-bromoethyl)(bromomethyl)sulfaneN126C(Br)SC(CBr)InChI=1S/C3H6Br2S/c4-1-2-6-3-5/h1-3H2InChIKey=WUPMYYDPWZOLFQ-UHFFFAOYSA-N212.5Ex 212.53(BP est) 7.42(MP est) ----(BP exp) ----(MP exp) C(Br)SC(CBr) 7.4PredN
C(Br)(Br)SC(C)12274233.949C3H6Br2S(dibromomethyl)(ethyl)sulfaneN126C(Br)(Br)SC(C)InChI=1S/C3H6Br2S/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=TZXWRMHTSKSQKE-UHFFFAOYSA-N200.7Ex 200.71(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)SC(C) -3.5PredN
C(C1Cl)(C1(Br)Br)12275234.315C3H3Br2Cl1,1-dibromo-2-chlorocyclopropaneN96C(C1Cl)(C1(Br)Br)InChI=1S/C3H3Br2Cl/c4-3(5)1-2(3)6/h2H,1H2InChIKey=DEYDLMTULVPMIJ-UHFFFAOYSA-N185.0Ex 184.97(BP est) 15.94(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1(Br)Br) 15.9PredN
C(C(Cl)=C(Br)Br)12276234.315C3H3Br2Cl1,1-dibromo-2-chloroprop-1-eneN96C(C(Cl)=C(Br)Br)InChI=1S/C3H3Br2Cl/c1-2(6)3(4)5/h1H3InChIKey=KNDSXXCRVIMTBH-UHFFFAOYSA-N180.4Ex 180.35(BP est) -20.71(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=C(Br)Br) -20.7PredN
C(Cl)(C=C(Br)Br)12277234.315C3H3Br2Cl1,1-dibromo-3-chloroprop-1-eneN96C(Cl)(C=C(Br)Br)InChI=1S/C3H3Br2Cl/c4-3(5)1-2-6/h1H,2H2InChIKey=RWICTFHJZGFXRW-UHFFFAOYSA-N209.6Ex 209.57(BP est) -5.20(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(Br)Br) -5.2PredN
C(C1Br)(C1(Br)Cl)12278234.315C3H3Br2Cl1,2-dibromo-1-chlorocyclopropaneN96C(C1Br)(C1(Br)Cl)InChI=1S/C3H3Br2Cl/c4-2-1-3(2,5)6/h2H,1H2InChIKey=UMHRCHMHOJVIDA-UHFFFAOYSA-N173.6Ex 173.63(BP est) 12.63(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1(Br)Cl) 12.6PredN
C(C(Br)=C(Br)Cl)12279234.315C3H3Br2Cl1,2-dibromo-1-chloroprop-1-eneN96C(C(Br)=C(Br)Cl)InChI=1S/C3H3Br2Cl/c1-2(4)3(5)6/h1H3InChIKey=YUGKELIDLMPXKE-UHFFFAOYSA-N180.4Ex 180.35(BP est) -20.71(MP est) ----(BP exp) ----(MP exp) C(C(Br)=C(Br)Cl) -20.7PredN
C(Cl)(C1Br)(C1Br)12280234.315C3H3Br2Cl1,2-dibromo-3-chlorocyclopropaneN96C(Cl)(C1Br)(C1Br)InChI=1S/C3H3Br2Cl/c4-1-2(5)3(1)6/h1-3HInChIKey=JZKWPRSDBIQWCW-UHFFFAOYSA-N189.8Ex 189.84(BP est) 3.29(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1Br)(C1Br) 3.3PredN
C(Cl)(C(Br)=CBr)12281234.315C3H3Br2Cl1,2-dibromo-3-chloroprop-1-eneN96C(Cl)(C(Br)=CBr)InChI=1S/C3H3Br2Cl/c4-1-3(5)2-6/h1H,2H2InChIKey=ZSNZRVDOTVGDIX-UHFFFAOYSA-N209.6Ex 209.57(BP est) -5.20(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)=CBr) -5.2PredN
C(Br)(C=C(Br)Cl)12282234.315C3H3Br2Cl1,3-dibromo-1-chloroprop-1-eneN96C(Br)(C=C(Br)Cl)InChI=1S/C3H3Br2Cl/c4-2-1-3(5)6/h1H,2H2InChIKey=RWCCBSYUZCWYNM-UHFFFAOYSA-N186.0Ex 185.99(BP est) -12.09(MP est) ----(BP exp) ----(MP exp) C(Br)(C=C(Br)Cl) -12.1PredN
C(Br)(C(Cl)=CBr)12283234.315C3H3Br2Cl1,3-dibromo-2-chloroprop-1-eneN96C(Br)(C(Cl)=CBr)InChI=1S/C3H3Br2Cl/c4-1-3(6)2-5/h1H,2H2InChIKey=LZILLZXXWMUVLO-UHFFFAOYSA-N186.0Ex 185.99(BP est) -12.09(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)=CBr) -12.1PredN
C(Br)(Cl)(C=CBr)12284234.315C3H3Br2Cl1,3-dibromo-3-chloroprop-1-eneN96C(Br)(Cl)(C=CBr)InChI=1S/C3H3Br2Cl/c4-2-1-3(5)6/h1-3HInChIKey=JZNDPKIQFYSJLL-UHFFFAOYSA-N192.2Ex 192.17(BP est) -10.80(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C=CBr) -10.8PredN
C(Br)(C(Br)=CCl)12285234.315C3H3Br2Cl2,3-dibromo-1-chloroprop-1-eneN96C(Br)(C(Br)=CCl)InChI=1S/C3H3Br2Cl/c4-1-3(5)2-6/h2H,1H2InChIKey=OTSQGKSEQSYDKH-UHFFFAOYSA-N186.0Ex 185.99(BP est) -12.09(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)=CCl) -12.1PredN
C(Br)(Cl)(C(Br)=C)12286234.315C3H3Br2Cl2,3-dibromo-3-chloroprop-1-eneN96C(Br)(Cl)(C(Br)=C)InChI=1S/C3H3Br2Cl/c1-2(4)3(5)6/h3H,1H2InChIKey=AOWDWMPANHKAGA-UHFFFAOYSA-N178.7Ex 178.69(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C(Br)=C) -20.1PredN
C(Br)(Br)(C=CCl)12287234.315C3H3Br2Cl3,3-dibromo-1-chloroprop-1-eneN96C(Br)(Br)(C=CCl)InChI=1S/C3H3Br2Cl/c4-3(5)1-2-6/h1-3HInChIKey=RKRTYWVQVBOYIP-UHFFFAOYSA-N179.2Ex 179.16(BP est) -14.60(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C=CCl) -14.6PredN
C(Br)(Br)(C(Cl)=C)12288234.315C3H3Br2Cl3,3-dibromo-2-chloroprop-1-eneN96C(Br)(Br)(C(Cl)=C)InChI=1S/C3H3Br2Cl/c1-2(6)3(4)5/h3H,1H2InChIKey=XBIIURJANNUZHT-UHFFFAOYSA-N165.3Ex 165.31(BP est) -23.96(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C(Cl)=C) -24PredN
C(Br)(Br)(Cl)(C=C)12289234.315C3H3Br2Cl3,3-dibromo-3-chloroprop-1-eneN96C(Br)(Br)(Cl)(C=C)InChI=1S/C3H3Br2Cl/c1-2-3(4,5)6/h2H,1H2InChIKey=GRWRDMINDITNFN-UHFFFAOYSA-N164.6Ex 164.56(BP est) -8.49(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(Cl)(C=C) -8.5PredN
O=PC(Cl)=CI12290234.357C2HClIOP(1-chloro-2-iodovinyl)(oxo)phosphaneN76O=PC(Cl)=CIInChI=1S/C2HClIOP/c3-2(1-4)6-5/h1HInChIKey=WFMFLNZZDKSLGZ-UHFFFAOYSA-N220.3Ex 220.34(BP est) -5.28(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CI -5.3PredN
O=PC(I)=CCl12291234.357C2HClIOP(2-chloro-1-iodovinyl)(oxo)phosphaneN76O=PC(I)=CClInChI=1S/C2HClIOP/c3-1-2(4)6-5/h1HInChIKey=ZUOSOGJCJPXXEC-UHFFFAOYSA-N220.3Ex 220.34(BP est) -5.28(MP est) ----(BP exp) ----(MP exp) O=PC(I)=CCl -5.3PredN
O=PC=C(Cl)I12292234.357C2HClIOP(2-chloro-2-iodovinyl)(oxo)phosphaneN76O=PC=C(Cl)IInChI=1S/C2HClIOP/c3-2(4)1-6-5/h1HInChIKey=COWZJUZIGZIZHY-UHFFFAOYSA-N220.3Ex 220.34(BP est) -5.28(MP est) ----(BP exp) ----(MP exp) O=PC=C(Cl)I -5.3PredN
PC(C=C)(Cl)I12293234.401C3H5ClIP(1-chloro-1-iodoallyl)phosphaneN116PC(C=C)(Cl)IInChI=1S/C3H5ClIP/c1-2-3(4,5)6/h2H,1,6H2InChIKey=ZMSNAMXMICWAHE-UHFFFAOYSA-N180.5Ex 180.45(BP est) -18.94(MP est) ----(BP exp) ----(MP exp) PC(C=C)(Cl)I -18.9PredN
PC(Cl)C(I)=C12294234.401C3H5ClIP(1-chloro-2-iodoallyl)phosphaneN116PC(Cl)C(I)=CInChI=1S/C3H5ClIP/c1-2(5)3(4)6/h3H,1,6H2InChIKey=MVAVMDUEEFOLOY-UHFFFAOYSA-N194.1Ex 194.12(BP est) -30.64(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(I)=C -30.6PredN
CPC(Cl)=CI12295234.401C3H5ClIP(1-chloro-2-iodovinyl)(methyl)phosphaneN116CPC(Cl)=CIInChI=1S/C3H5ClIP/c1-6-3(4)2-5/h2,6H,1H3InChIKey=WMYXJQWSNLKEBH-UHFFFAOYSA-N183.8Ex 183.79(BP est) -36.00(MP est) ----(BP exp) ----(MP exp) CPC(Cl)=CI -36PredN
PC(Cl)C=CI12296234.401C3H5ClIP(1-chloro-3-iodoallyl)phosphaneN116PC(Cl)C=CIInChI=1S/C3H5ClIP/c4-3(6)1-2-5/h1-3H,6H2InChIKey=APPJNJDMMKZBAQ-UHFFFAOYSA-N207.2Ex 207.16(BP est) -21.51(MP est) ----(BP exp) ----(MP exp) PC(Cl)C=CI -21.5PredN
ICPC(Cl)=C12297234.401C3H5ClIP(1-chlorovinyl)(iodomethyl)phosphaneN116ICPC(Cl)=CInChI=1S/C3H5ClIP/c1-3(4)6-2-5/h6H,1-2H2InChIKey=ACRPLFAFZPDZNT-UHFFFAOYSA-N175.8Ex 175.82(BP est) -36.66(MP est) ----(BP exp) ----(MP exp) ICPC(Cl)=C -36.7PredN
PC(I)C(Cl)=C12298234.401C3H5ClIP(2-chloro-1-iodoallyl)phosphaneN116PC(I)C(Cl)=CInChI=1S/C3H5ClIP/c1-2(4)3(5)6/h3H,1,6H2InChIKey=CCWLLSYASUEHDN-UHFFFAOYSA-N181.2Ex 181.17(BP est) -34.42(MP est) ----(BP exp) ----(MP exp) PC(I)C(Cl)=C -34.4PredN
CPC(I)=CCl12299234.401C3H5ClIP(2-chloro-1-iodovinyl)(methyl)phosphaneN116CPC(I)=CClInChI=1S/C3H5ClIP/c1-6-3(5)2-4/h2,6H,1H3InChIKey=DMHZMFYVRFRLTO-UHFFFAOYSA-N183.8Ex 183.79(BP est) -36.00(MP est) ----(BP exp) ----(MP exp) CPC(I)=CCl -36PredN
CPC=C(Cl)I12300234.401C3H5ClIP(2-chloro-2-iodovinyl)(methyl)phosphaneN116CPC=C(Cl)IInChI=1S/C3H5ClIP/c1-6-2-3(4)5/h2,6H,1H3InChIKey=SBYMXJFOMJXYMP-UHFFFAOYSA-N183.8Ex 183.79(BP est) -36.00(MP est) ----(BP exp) ----(MP exp) CPC=C(Cl)I -36PredN
PCC(Cl)=CI12301234.401C3H5ClIP(2-chloro-3-iodoallyl)phosphaneN116PCC(Cl)=CIInChI=1S/C3H5ClIP/c4-3(1-5)2-6/h1H,2,6H2InChIKey=SLXLTLYMNVOXGP-UHFFFAOYSA-N201.2Ex 201.18(BP est) -22.74(MP est) ----(BP exp) ----(MP exp) PCC(Cl)=CI -22.7PredN
ICPC=CCl12302234.401C3H5ClIP(2-chlorovinyl)(iodomethyl)phosphaneN116ICPC=CClInChI=1S/C3H5ClIP/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=FIPFTGHHGJQJFW-UHFFFAOYSA-N189.4Ex 189.38(BP est) -27.39(MP est) ----(BP exp) ----(MP exp) ICPC=CCl -27.4PredN
PC(I)C=CCl12303234.401C3H5ClIP(3-chloro-1-iodoallyl)phosphaneN116PC(I)C=CClInChI=1S/C3H5ClIP/c4-2-1-3(5)6/h1-3H,6H2InChIKey=VOZYUVATAUBYKD-UHFFFAOYSA-N194.6Ex 194.58(BP est) -25.18(MP est) ----(BP exp) ----(MP exp) PC(I)C=CCl -25.2PredN
PCC(I)=CCl12304234.401C3H5ClIP(3-chloro-2-iodoallyl)phosphaneN116PCC(I)=CClInChI=1S/C3H5ClIP/c4-1-3(5)2-6/h1H,2,6H2InChIKey=NAGNDXCQQSSVHS-UHFFFAOYSA-N201.2Ex 201.18(BP est) -22.74(MP est) ----(BP exp) ----(MP exp) PCC(I)=CCl -22.7PredN
PCC=C(Cl)I12305234.401C3H5ClIP(3-chloro-3-iodoallyl)phosphaneN116PCC=C(Cl)IInChI=1S/C3H5ClIP/c4-3(5)1-2-6/h1H,2,6H2InChIKey=PFEBSANOKSMFMP-UHFFFAOYSA-N201.2Ex 201.18(BP est) -22.74(MP est) ----(BP exp) ----(MP exp) PCC=C(Cl)I -22.7PredN
ClC(PC=C)I12306234.401C3H5ClIP(chloroiodomethyl)(vinyl)phosphaneN116ClC(PC=C)IInChI=1S/C3H5ClIP/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=FBNSJSXVFMPLAN-UHFFFAOYSA-N182.1Ex 182.14(BP est) -35.34(MP est) ----(BP exp) ----(MP exp) ClC(PC=C)I -35.3PredN
ClCPC(I)=C12307234.401C3H5ClIP(chloromethyl)(1-iodovinyl)phosphaneN116ClCPC(I)=CInChI=1S/C3H5ClIP/c1-3(5)6-2-4/h6H,1-2H2InChIKey=MTLGMOIJFZREBW-UHFFFAOYSA-N199.9Ex 199.93(BP est) -29.63(MP est) ----(BP exp) ----(MP exp) ClCPC(I)=C -29.6PredN
ClCPC=CI12308234.401C3H5ClIP(chloromethyl)(2-iodovinyl)phosphaneN116ClCPC=CIInChI=1S/C3H5ClIP/c4-3-6-2-1-5/h1-2,6H,3H2InChIKey=IPEOLYGREWXQDA-UHFFFAOYSA-N212.8Ex 212.79(BP est) -20.55(MP est) ----(BP exp) ----(MP exp) ClCPC=CI -20.6PredN
ClC(P1CC1)I12309234.401C3H5ClIP1-(chloroiodomethyl)phosphiraneN116ClC(P1CC1)IInChI=1S/C3H5ClIP/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=ZRCKFIJCAOKNHM-UHFFFAOYSA-N192.0Ex 192.04(BP est) -19.41(MP est) ----(BP exp) ----(MP exp) ClC(P1CC1)I -19.4PredN
ClCP1C(I)C112310234.401C3H5ClIP1-(chloromethyl)-2-iodophosphiraneN116ClCP1C(I)C1InChI=1S/C3H5ClIP/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=PDZTXVPUMKLJSJ-UHFFFAOYSA-N209.1Ex 209.11(BP est) -9.04(MP est) ----(BP exp) ----(MP exp) ClCP1C(I)C1 -9PredN
ICP1C(Cl)C112311234.401C3H5ClIP2-chloro-1-(iodomethyl)phosphiraneN116ICP1C(Cl)C1InChI=1S/C3H5ClIP/c4-3-1-6(3)2-5/h3H,1-2H2InChIKey=NDJHSBNDVVVLDJ-UHFFFAOYSA-N198.3Ex 198.34(BP est) -12.19(MP est) ----(BP exp) ----(MP exp) ICP1C(Cl)C1 -12.2PredN
CP1C(I)(Cl)C112312234.401C3H5ClIP2-chloro-2-iodo-1-methylphosphiraneN116CP1C(I)(Cl)C1InChI=1S/C3H5ClIP/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=MZNVKBOMLUARGL-UHFFFAOYSA-N176.4Ex 176.39(BP est) -6.64(MP est) ----(BP exp) ----(MP exp) CP1C(I)(Cl)C1 -6.6PredN
ClC1(I)CCP112313234.401C3H5ClIP2-chloro-2-iodophosphetaneN116ClC1(I)CCP1InChI=1S/C3H5ClIP/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=HRZKGGFGCKYGRI-UHFFFAOYSA-N177.5Ex 177.47(BP est) -7.40(MP est) ----(BP exp) ----(MP exp) ClC1(I)CCP1 -7.4PredN
CP1C(I)C1Cl12314234.401C3H5ClIP2-chloro-3-iodo-1-methylphosphiraneN116CP1C(I)C1ClInChI=1S/C3H5ClIP/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=IOBYMJZELYKGBF-UHFFFAOYSA-N192.5Ex 192.50(BP est) -16.01(MP est) ----(BP exp) ----(MP exp) CP1C(I)C1Cl -16PredN
ClC1C(I)CP112315234.401C3H5ClIP2-chloro-3-iodophosphetaneN116ClC1C(I)CP1InChI=1S/C3H5ClIP/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=ZDULXJHAYIVJBD-UHFFFAOYSA-N193.6Ex 193.55(BP est) -16.78(MP est) ----(BP exp) ----(MP exp) ClC1C(I)CP1 -16.8PredN
ClC1CC(I)P112316234.401C3H5ClIP2-chloro-4-iodophosphetaneN116ClC1CC(I)P1InChI=1S/C3H5ClIP/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=XHKLGEVURKCVRC-UHFFFAOYSA-N193.6Ex 193.55(BP est) -16.78(MP est) ----(BP exp) ----(MP exp) ClC1CC(I)P1 -16.8PredN
IC1C(Cl)CP112317234.401C3H5ClIP3-chloro-2-iodophosphetaneN116IC1C(Cl)CP1InChI=1S/C3H5ClIP/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=VEYKZPLGHFHPMN-UHFFFAOYSA-N193.6Ex 193.55(BP est) -16.78(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)CP1 -16.8PredN
ClC1(I)CPC112318234.401C3H5ClIP3-chloro-3-iodophosphetaneN116ClC1(I)CPC1InChI=1S/C3H5ClIP/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=JAAXIOKPCRWJMF-UHFFFAOYSA-N177.5Ex 177.47(BP est) -7.40(MP est) ----(BP exp) ----(MP exp) ClC1(I)CPC1 -7.4PredN
CSC(Cl)=C(I)12320234.479C3H4ClIS(1-chloro-2-iodovinyl)(methyl)sulfaneN106CSC(Cl)=C(I)InChI=1S/C3H4ClIS/c1-6-3(4)2-5/h2H,1H3InChIKey=VAPNUOAFDCJMKY-UHFFFAOYSA-N207.8Ex 207.75(BP est) -19.30(MP est) ----(BP exp) ----(MP exp) CSC(Cl)=C(I) -19.3PredN
C(I)SC(Cl)=C12321234.479C3H4ClIS(1-chlorovinyl)(iodomethyl)sulfaneN106C(I)SC(Cl)=CInChI=1S/C3H4ClIS/c1-3(4)6-2-5/h1-2H2InChIKey=NDQPCUNNBASPFM-UHFFFAOYSA-N200.2Ex 200.20(BP est) -19.85(MP est) ----(BP exp) ----(MP exp) C(I)SC(Cl)=C -19.9PredN
CSC(I)=C(Cl)12322234.479C3H4ClIS(2-chloro-1-iodovinyl)(methyl)sulfaneN106CSC(I)=C(Cl)InChI=1S/C3H4ClIS/c1-6-3(5)2-4/h2H,1H3InChIKey=BBALIADQUWQRRP-UHFFFAOYSA-N207.8Ex 207.75(BP est) -19.30(MP est) ----(BP exp) ----(MP exp) CSC(I)=C(Cl) -19.3PredN
CSC=C(Cl)(I)12323234.479C3H4ClIS(2-chloro-2-iodovinyl)(methyl)sulfaneN106CSC=C(Cl)(I)InChI=1S/C3H4ClIS/c1-6-2-3(4)5/h2H,1H3InChIKey=ZPTMLLWBWOUCON-UHFFFAOYSA-N207.8Ex 207.75(BP est) -19.30(MP est) ----(BP exp) ----(MP exp) CSC=C(Cl)(I) -19.3PredN
C(I)SC=C(Cl)12324234.479C3H4ClIS(2-chlorovinyl)(iodomethyl)sulfaneN106C(I)SC=C(Cl)InChI=1S/C3H4ClIS/c4-1-2-6-3-5/h1-2H,3H2InChIKey=OSHKXIOCXAVKIG-UHFFFAOYSA-N213.1Ex 213.05(BP est) -10.78(MP est) ----(BP exp) ----(MP exp) C(I)SC=C(Cl) -10.8PredN
C(Cl)(I)SC=C12325234.479C3H4ClIS(chloroiodomethyl)(vinyl)sulfaneN106C(Cl)(I)SC=CInChI=1S/C3H4ClIS/c1-2-6-3(4)5/h2-3H,1H2InChIKey=VJBXHCHAVMKVLE-UHFFFAOYSA-N206.2Ex 206.19(BP est) -18.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)SC=C -18.6PredN
C(Cl)SC(I)=C12326234.479C3H4ClIS(chloromethyl)(1-iodovinyl)sulfaneN106C(Cl)SC(I)=CInChI=1S/C3H4ClIS/c1-3(5)6-2-4/h1-2H2InChIKey=XYMGDVOECAIZOM-UHFFFAOYSA-N223.0Ex 223.03(BP est) -13.18(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(I)=C -13.2PredN
C(Cl)SC=C(I)12327234.479C3H4ClIS(chloromethyl)(2-iodovinyl)sulfaneN106C(Cl)SC=C(I)InChI=1S/C3H4ClIS/c4-3-6-2-1-5/h1-2H,3H2InChIKey=NBKFULSXMCVGJH-UHFFFAOYSA-N235.2Ex 235.19(BP est) -4.31(MP est) ----(BP exp) ----(MP exp) C(Cl)SC=C(I) -4.3PredN
ClC(I)C1CS112328234.479C3H4ClIS2-(chloroiodomethyl)thiiraneN106ClC(I)C1CS1InChI=1S/C3H4ClIS/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=SBRLJTQBJFZPJS-UHFFFAOYSA-N208.8Ex 208.84(BP est) 13.53(MP est) ----(BP exp) ----(MP exp) ClC(I)C1CS1 13.5PredN
IC1(CCl)CS112329234.479C3H4ClIS2-(chloromethyl)-2-iodothiiraneN106IC1(CCl)CS1InChI=1S/C3H4ClIS/c4-1-3(5)2-6-3/h1-2H2InChIKey=BZFARJBLCUKYEX-UHFFFAOYSA-N220.8Ex 220.78(BP est) 29.40(MP est) ----(BP exp) ----(MP exp) IC1(CCl)CS1 29.4PredN
IC1C(CCl)S112330234.479C3H4ClIS2-(chloromethyl)-3-iodothiiraneN106IC1C(CCl)S1InChI=1S/C3H4ClIS/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=BZGZAYMJJNWNQJ-UHFFFAOYSA-N225.3Ex 225.26(BP est) 23.70(MP est) ----(BP exp) ----(MP exp) IC1C(CCl)S1 23.7PredN
ClC1(CI)CS112331234.479C3H4ClIS2-chloro-2-(iodomethyl)thiiraneN106ClC1(CI)CS1InChI=1S/C3H4ClIS/c4-3(1-5)2-6-3/h1-2H2InChIKey=YKQHMJZQGPVQAX-UHFFFAOYSA-N199.6Ex 199.60(BP est) 21.15(MP est) ----(BP exp) ----(MP exp) ClC1(CI)CS1 21.2PredN
ClC1(I)C(C)S112332234.479C3H4ClIS2-chloro-2-iodo-3-methylthiiraneN106ClC1(I)C(C)S1InChI=1S/C3H4ClIS/c1-2-3(4,5)6-2/h2H,1H3InChIKey=CXUXLWHMHBLYGP-UHFFFAOYSA-N193.8Ex 193.78(BP est) 26.46(MP est) ----(BP exp) ----(MP exp) ClC1(I)C(C)S1 26.5PredN
ClC1(I)SCC112333234.479C3H4ClIS2-chloro-2-iodothietaneN106ClC1(I)SCC1InChI=1S/C3H4ClIS/c4-3(5)1-2-6-3/h1-2H2InChIKey=GPBVWWHKAWEQOJ-UHFFFAOYSA-N201.4Ex 201.42(BP est) 29.05(MP est) ----(BP exp) ----(MP exp) ClC1(I)SCC1 29.1PredN
ClC1C(CI)S112334234.479C3H4ClIS2-chloro-3-(iodomethyl)thiiraneN106ClC1C(CI)S1InChI=1S/C3H4ClIS/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=KTPXFMOSJVGION-UHFFFAOYSA-N214.9Ex 214.91(BP est) 20.68(MP est) ----(BP exp) ----(MP exp) ClC1C(CI)S1 20.7PredN
IC1C(Cl)(C)S112335234.479C3H4ClIS2-chloro-3-iodo-2-methylthiiraneN106IC1C(Cl)(C)S1InChI=1S/C3H4ClIS/c1-3(4)2(5)6-3/h2H,1H3InChIKey=UHXAKGWBMQFGIE-UHFFFAOYSA-N193.8Ex 193.78(BP est) 26.46(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(C)S1 26.5PredN
ClC1SCC1I12336234.479C3H4ClIS2-chloro-3-iodothietaneN106ClC1SCC1IInChI=1S/C3H4ClIS/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=LTJDEGNNPXLRDI-UHFFFAOYSA-N216.7Ex 216.66(BP est) 19.43(MP est) ----(BP exp) ----(MP exp) ClC1SCC1I 19.4PredN
ClC1CC(I)S112337234.479C3H4ClIS2-chloro-4-iodothietaneN106ClC1CC(I)S1InChI=1S/C3H4ClIS/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=IXWHQMQTFUPIAE-UHFFFAOYSA-N216.7Ex 216.66(BP est) 19.43(MP est) ----(BP exp) ----(MP exp) ClC1CC(I)S1 19.4PredN
ClC1C(I)(C)S112338234.479C3H4ClIS3-chloro-2-iodo-2-methylthiiraneN106ClC1C(I)(C)S1InChI=1S/C3H4ClIS/c1-3(5)2(4)6-3/h2H,1H3InChIKey=VJPULDPFGIEDAB-UHFFFAOYSA-N204.6Ex 204.64(BP est) 29.63(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(C)S1 29.6PredN
IC1SCC1Cl12339234.479C3H4ClIS3-chloro-2-iodothietaneN106IC1SCC1ClInChI=1S/C3H4ClIS/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=LBJKVUWQYLZEON-UHFFFAOYSA-N216.7Ex 216.66(BP est) 19.43(MP est) ----(BP exp) ----(MP exp) IC1SCC1Cl 19.4PredN
ClC1(I)CSC112340234.479C3H4ClIS3-chloro-3-iodothietaneN106ClC1(I)CSC1InChI=1S/C3H4ClIS/c4-3(5)1-6-2-3/h1-2H2InChIKey=HZYRHYUOFPIQGK-UHFFFAOYSA-N201.4Ex 201.42(BP est) 29.05(MP est) ----(BP exp) ----(MP exp) ClC1(I)CSC1 29.1PredN
ClC(C1I)=C1Cl12342234.845C3HCl2I1,2-dichloro-3-iodocycloprop-1-eneN76ClC(C1I)=C1ClInChI=1S/C3HCl2I/c4-1-2(5)3(1)6/h3HInChIKey=DQATTYSRSPGAFO-UHFFFAOYSA-N182.1Ex 182.14(BP est) 2.37(MP est) ----(BP exp) ----(MP exp) ClC(C1I)=C1Cl 2.4PredN
ClC(C1Cl)=C1I12343234.845C3HCl2I1,3-dichloro-2-iodocycloprop-1-eneN76ClC(C1Cl)=C1IInChI=1S/C3HCl2I/c4-1-2(5)3(1)6/h1HInChIKey=MVEFVOWDMPEZQX-UHFFFAOYSA-N195.1Ex 195.06(BP est) 6.14(MP est) ----(BP exp) ----(MP exp) ClC(C1Cl)=C1I 6.1PredN
ClC1=CC1(I)Cl12344234.845C3HCl2I1,3-dichloro-3-iodocycloprop-1-eneN76ClC1=CC1(I)ClInChI=1S/C3HCl2I/c4-2-1-3(2,5)6/h1HInChIKey=GEUDCPZRKZQGOA-UHFFFAOYSA-N174.8Ex 174.77(BP est) 5.91(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(I)Cl 5.9PredN
C(Cl)(I)(C#CCl)12345234.845C3HCl2I1,3-dichloro-3-iodoprop-1-yneN76C(Cl)(I)(C#CCl)InChI=1S/C3HCl2I/c4-2-1-3(5)6/h3HInChIKey=FXNYRONZVQPDEA-UHFFFAOYSA-N194.9Ex 194.90(BP est) 29.77(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C#CCl) 29.8PredN
IC1=CC1(Cl)Cl12346234.845C3HCl2I3,3-dichloro-1-iodocycloprop-1-eneN76IC1=CC1(Cl)ClInChI=1S/C3HCl2I/c4-3(5)1-2(3)6/h1HInChIKey=OFYCWUNSMNEGFF-UHFFFAOYSA-N176.6Ex 176.64(BP est) 6.45(MP est) ----(BP exp) ----(MP exp) IC1=CC1(Cl)Cl 6.5PredN
C(Cl)(Cl)(C#CI)12347234.845C3HCl2I3,3-dichloro-1-iodoprop-1-yneN76C(Cl)(Cl)(C#CI)InChI=1S/C3HCl2I/c4-3(5)1-2-6/h3HInChIKey=RDOREBNEABNJPX-UHFFFAOYSA-N207.5Ex 207.47(BP est) 24.79(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C#CI) 24.8PredN
C(Cl)(Cl)(I)(C#C)12348234.845C3HCl2I3,3-dichloro-3-iodoprop-1-yneN76C(Cl)(Cl)(I)(C#C)InChI=1S/C3HCl2I/c1-2-3(4,5)6/h1HInChIKey=ALECHDFMARDKND-UHFFFAOYSA-N169.6Ex 169.55(BP est) 1.52(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(I)(C#C) 1.5PredN
CC(I)Br12349234.862C2H4BrI1-bromo-1-iodoethaneN84CC(I)BrInChI=1S/C2H4BrI/c1-2(3)4/h2H,1H3InChIKey=CNGJXUSVJXWIIL-UHFFFAOYSA-N150.3Ex 150.29(BP est) -41.95(MP est) ----(BP exp) ----(MP exp) CC(I)Br -42PredN
C(Br)(CI)12350234.862C2H4BrI1-bromo-2-iodoethaneN84C(Br)(CI)InChI=1S/C2H4BrI/c3-1-2-4/h1-2H2InChIKey=HKQCJJOXYWQRFN-UHFFFAOYSA-N163.0Ex 163.42(BP est) -30.62(MP est) 163.00(BP exp) 28.00(MP exp) C(Br)(CI) 28ExptY(Gribble 2003)
ClC1C(Br)(Br)N112351235.303C2H2Br2ClN2,2-dibromo-3-chloroaziridineN86ClC1C(Br)(Br)N1InChI=1S/C2H2Br2ClN/c3-2(4)1(5)6-2/h1,6HInChIKey=CETNNIXVLYYSOF-UHFFFAOYSA-N217.0Ex 216.99(BP est) 42.60(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Br)N1 42.6PredN
BrC1C(Br)(Cl)N112352235.303C2H2Br2ClN2,3-dibromo-2-chloroaziridineN86BrC1C(Br)(Cl)N1InChI=1S/C2H2Br2ClN/c3-1-2(4,5)6-1/h1,6HInChIKey=APZVAELBNOZOAE-UHFFFAOYSA-N206.5Ex 206.45(BP est) 37.98(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(Cl)N1 38PredN
PC(Br)=C(Br)F12353235.818C2H2Br2FP(1,2-dibromo-2-fluorovinyl)phosphaneN86PC(Br)=C(Br)FInChI=1S/C2H2Br2FP/c3-1(5)2(4)6/h6H2InChIKey=XVDGQBLRABPSPS-UHFFFAOYSA-N183.1Ex 183.07(BP est) -24.53(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(Br)F -24.5PredN
PC(F)=C(Br)Br12354235.818C2H2Br2FP(2,2-dibromo-1-fluorovinyl)phosphaneN86PC(F)=C(Br)BrInChI=1S/C2H2Br2FP/c3-1(4)2(5)6/h6H2InChIKey=JBEXMPWAPOTDFY-UHFFFAOYSA-N183.1Ex 183.07(BP est) -24.53(MP est) ----(BP exp) ----(MP exp) PC(F)=C(Br)Br -24.5PredN
FC1C(Br)(Br)P112355235.818C2H2Br2FP2,2-dibromo-3-fluorophosphiraneN86FC1C(Br)(Br)P1InChI=1S/C2H2Br2FP/c3-2(4)1(5)6-2/h1,6HInChIKey=DTCNLMDVZAMWPR-UHFFFAOYSA-N154.1Ex 154.12(BP est) -4.11(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Br)P1 -4.1PredN
BrC1C(F)(Br)P112356235.818C2H2Br2FP2,3-dibromo-2-fluorophosphiraneN86BrC1C(F)(Br)P1InChI=1S/C2H2Br2FP/c3-1-2(4,5)6-1/h1,6HInChIKey=WYEACTMDULMBSW-UHFFFAOYSA-N154.1Ex 154.12(BP est) -4.11(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(Br)P1 -4.1PredN
BrC(POC)Br12361235.843C2H5Br2OP(dibromomethyl)(methoxy)phosphaneN116BrC(POC)BrInChI=1S/C2H5Br2OP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=UGSUNJBVXBGFPU-UHFFFAOYSA-N177.2Ex 177.18(BP est) -14.62(MP est) ----(BP exp) ----(MP exp) BrC(POC)Br -14.6PredN
O=P(C)C(Br)Br12362235.843C2H5Br2OP(dibromomethyl)(methyl)phosphine oxideN116O=P(C)C(Br)BrInChI=1S/C2H5Br2OP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=MPUSZCLFBXPZJI-UHFFFAOYSA-N211.7Ex 211.73(BP est) 1.85(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Br)Br 1.9PredN
O=P(CBr)CBr12364235.843C2H5Br2OPbis(bromomethyl)phosphine oxideN116O=P(CBr)CBrInChI=1S/C2H5Br2OP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=PKBZJFXMZDSXCC-UHFFFAOYSA-N223.2Ex 223.24(BP est) 12.71(MP est) ----(BP exp) ----(MP exp) O=P(CBr)CBr 12.7PredN
NC(Br)(I)12365235.85CH3BrINbromoiodomethanamineN74NC(Br)(I)InChI=1S/CH3BrIN/c2-1(3)4/h1H,4H2InChIKey=IVVAZKFZBASTHT-UHFFFAOYSA-N185.5Ex 185.48(BP est) 4.31(MP est) ----(BP exp) ----(MP exp) NC(Br)(I) 4.3PredN
FC1C(Br)(Br)S112366235.896C2HBr2FS2,2-dibromo-3-fluorothiiraneN76FC1C(Br)(Br)S1InChI=1S/C2HBr2FS/c3-2(4)1(5)6-2/h1HInChIKey=AVQAOPRZSIMZQB-UHFFFAOYSA-N179.2Ex 179.22(BP est) 11.84(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Br)S1 11.8PredN
BrC1C(Br)(F)S112367235.896C2HBr2FS2,3-dibromo-2-fluorothiiraneN76BrC1C(Br)(F)S1InChI=1S/C2HBr2FS/c3-1-2(4,5)6-1/h1HInChIKey=IUWMKQJEKMWERB-UHFFFAOYSA-N179.2Ex 179.22(BP est) 11.84(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(F)S1 11.8PredN
C(=O)C(Br)(Br)(Cl)12369236.287C2HBr2ClO2,2-dibromo-2-chloroacetaldehydeN76C(=O)C(Br)(Br)(Cl)InChI=1S/C2HBr2ClO/c3-2(4,5)1-6/h1HInChIKey=SFWAQPWRFZOPKA-UHFFFAOYSA-N197.9Ex 197.94(BP est) 17.50(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(Br)(Cl) 17.5PredY(Vanelslander et al. 2012)
ClC1C(Br)(Br)O112370236.287C2HBr2ClO2,2-dibromo-3-chlorooxiraneN76ClC1C(Br)(Br)O1InChI=1S/C2HBr2ClO/c3-2(4)1(5)6-2/h1HInChIKey=AMCQAEVHOJUDEF-UHFFFAOYSA-N190.5Ex 190.49(BP est) 25.20(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Br)O1 25.2PredN
BrC1C(Br)(Cl)O112371236.287C2HBr2ClO2,3-dibromo-2-chlorooxiraneN76BrC1C(Br)(Cl)O1InChI=1S/C2HBr2ClO/c3-1-2(4,5)6-1/h1HInChIKey=WHNQKHOMPZRTMO-UHFFFAOYSA-N179.3Ex 179.29(BP est) 21.93(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(Cl)O1 21.9PredN
C(CC(Br)(Br)Cl)12372236.331C3H5Br2Cl1,1-dibromo-1-chloropropaneN116C(CC(Br)(Br)Cl)InChI=1S/C3H5Br2Cl/c1-2-3(4,5)6/h2H2,1H3InChIKey=SPWFJAQWRNXTDR-UHFFFAOYSA-N166.2Ex 166.17(BP est) -7.14(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(Br)Cl) -7.1PredN
C(C(Cl)C(Br)Br)12373236.331C3H5Br2Cl1,1-dibromo-2-chloropropaneN116C(C(Cl)C(Br)Br)InChI=1S/C3H5Br2Cl/c1-2(6)3(4)5/h2-3H,1H3InChIKey=SDNGBLYQMOYWPK-UHFFFAOYSA-N173.3Ex 173.34(BP est) -21.26(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(Br)Br) -21.3PredN
C(Cl)(CC(Br)Br)12374236.331C3H5Br2Cl1,1-dibromo-3-chloropropaneN116C(Cl)(CC(Br)Br)InChI=1S/C3H5Br2Cl/c4-3(5)1-2-6/h3H,1-2H2InChIKey=AFWORUPBMQTQPY-UHFFFAOYSA-N196.0Ex 196.96(BP est) -6.86(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(Br)Br) -6.9PredN
C(C(Br)C(Br)Cl)12375236.331C3H5Br2Cl1,2-dibromo-1-chloropropaneN116C(C(Br)C(Br)Cl)InChI=1S/C3H5Br2Cl/c1-2(4)3(5)6/h2-3H,1H3InChIKey=XWACZKSYLJCQIJ-UHFFFAOYSA-N173.3Ex 173.34(BP est) -21.26(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(Br)Cl) -21.3PredN
C(C(Br)(Cl)CBr)12376236.331C3H5Br2Cl1,2-dibromo-2-chloropropaneN116C(C(Br)(Cl)CBr)InChI=1S/C3H5Br2Cl/c1-3(5,6)2-4/h2H2,1H3InChIKey=FZVJKWYDCZQEEQ-UHFFFAOYSA-N166.2Ex 166.17(BP est) -7.14(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Cl)CBr) -7.1PredN
C(Cl)(C(Br)CBr)12377236.331C3H5Br2Cl1,2-dibromo-3-chloropropaneN116C(Cl)(C(Br)CBr)InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2InChIKey=WBEJYOJJBDISQU-UHFFFAOYSA-N195.5Ex 196.96(BP est) -6.86(MP est) 196.00(BP exp) 6.00(MP exp) C(Cl)(C(Br)CBr) 6ExptN
C(Br)(CC(Br)Cl)12378236.331C3H5Br2Cl1,3-dibromo-1-chloropropaneN116C(Br)(CC(Br)Cl)InChI=1S/C3H5Br2Cl/c4-2-1-3(5)6/h3H,1-2H2InChIKey=FZUMCPCPZTWIHX-UHFFFAOYSA-N185.9Ex 185.89(BP est) -10.10(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(Br)Cl) -10.1PredN
C(Br)(C(Cl)CBr)12379236.331C3H5Br2Cl1,3-dibromo-2-chloropropaneN116C(Br)(C(Cl)CBr)InChI=1S/C3H5Br2Cl/c4-1-3(6)2-5/h3H,1-2H2InChIKey=XVNNFWXQUNVAQM-UHFFFAOYSA-N185.9Ex 185.89(BP est) -10.10(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)CBr) -10.1PredN
C(C(Br)(Br)CCl)12380236.331C3H5Br2Cl2,2-dibromo-1-chloropropaneN116C(C(Br)(Br)CCl)InChI=1S/C3H5Br2Cl/c1-3(4,5)2-6/h2H2,1H3InChIKey=WXLQTJWFQSFIGM-UHFFFAOYSA-N189.0Ex 188.95(BP est) -0.49(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Br)CCl) -0.5PredN
O=PC(C)(Cl)I12381236.373C2H3ClIOP(1-chloro-1-iodoethyl)(oxo)phosphaneN96O=PC(C)(Cl)IInChI=1S/C2H3ClIOP/c1-2(3,4)6-5/h1H3InChIKey=USBMMKFXJWEQLM-UHFFFAOYSA-N202.0Ex 202.00(BP est) 0.10(MP est) ----(BP exp) ----(MP exp) O=PC(C)(Cl)I 0.1PredN
O=PC(Cl)CI12382236.373C2H3ClIOP(1-chloro-2-iodoethyl)(oxo)phosphaneN96O=PC(Cl)CIInChI=1S/C2H3ClIOP/c3-2(1-4)6-5/h2H,1H2InChIKey=HSWVZULQTLCNMV-UHFFFAOYSA-N220.2Ex 220.24(BP est) -3.29(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CI -3.3PredN
O=PC(I)CCl12384236.373C2H3ClIOP(2-chloro-1-iodoethyl)(oxo)phosphaneN96O=PC(I)CClInChI=1S/C2H3ClIOP/c3-1-2(4)6-5/h2H,1H2InChIKey=NMBWMKRWNDAQKB-UHFFFAOYSA-N230.5Ex 230.46(BP est) -0.30(MP est) ----(BP exp) ----(MP exp) O=PC(I)CCl -0.3PredN
O=PCC(Cl)I12386236.373C2H3ClIOP(2-chloro-2-iodoethyl)(oxo)phosphaneN96O=PCC(Cl)IInChI=1S/C2H3ClIOP/c3-2(4)1-6-5/h2H,1H2InChIKey=SDJSZGITBWAKLJ-UHFFFAOYSA-N220.2Ex 220.24(BP est) -3.29(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)I -3.3PredN
O=P1C(I)(Cl)C112389236.373C2H3ClIOP2-chloro-2-iodophosphirane 1-oxideN96O=P1C(I)(Cl)C1InChI=1S/C2H3ClIOP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=AJHYNOPKSMZMGC-UHFFFAOYSA-N211.0Ex 210.97(BP est) 16.00(MP est) ----(BP exp) ----(MP exp) O=P1C(I)(Cl)C1 16PredN
O=P1C(I)C1Cl12391236.373C2H3ClIOP2-chloro-3-iodophosphirane 1-oxideN96O=P1C(I)C1ClInChI=1S/C2H3ClIOP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=WCFIGHLQWAEODF-UHFFFAOYSA-N225.9Ex 225.87(BP est) 6.28(MP est) ----(BP exp) ----(MP exp) O=P1C(I)C1Cl 6.3PredN
CPC(C)(Cl)I12392236.417C3H7ClIP(1-chloro-1-iodoethyl)(methyl)phosphaneN136CPC(C)(Cl)IInChI=1S/C3H7ClIP/c1-3(4,5)6-2/h6H,1-2H3InChIKey=FVKWRSNHQVKJDR-UHFFFAOYSA-N163.9Ex 163.87(BP est) -31.08(MP est) ----(BP exp) ----(MP exp) CPC(C)(Cl)I -31.1PredN
PC(CC)(Cl)I12393236.417C3H7ClIP(1-chloro-1-iodopropyl)phosphaneN136PC(CC)(Cl)IInChI=1S/C3H7ClIP/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=KIMXRAHKAYHEQM-UHFFFAOYSA-N182.0Ex 182.00(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) PC(CC)(Cl)I -17.6PredN
CPC(Cl)CI12394236.417C3H7ClIP(1-chloro-2-iodoethyl)(methyl)phosphaneN136CPC(Cl)CIInChI=1S/C3H7ClIP/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=UFOGPVSBEUMKJI-UHFFFAOYSA-N183.7Ex 183.68(BP est) -34.01(MP est) ----(BP exp) ----(MP exp) CPC(Cl)CI -34PredN
PC(Cl)C(I)C12395236.417C3H7ClIP(1-chloro-2-iodopropyl)phosphaneN136PC(Cl)C(I)CInChI=1S/C3H7ClIP/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=MHLQDZYNTXJYHO-UHFFFAOYSA-N189.0Ex 188.95(BP est) -31.79(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(I)C -31.8PredN
PC(Cl)CCI12396236.417C3H7ClIP(1-chloro-3-iodopropyl)phosphaneN136PC(Cl)CCIInChI=1S/C3H7ClIP/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=ZXPPTCPLGSSVIC-UHFFFAOYSA-N201.1Ex 201.08(BP est) -20.74(MP est) ----(BP exp) ----(MP exp) PC(Cl)CCI -20.7PredN
ICPC(Cl)C12397236.417C3H7ClIP(1-chloroethyl)(iodomethyl)phosphaneN136ICPC(Cl)CInChI=1S/C3H7ClIP/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=XXBBUEZBLFAZLP-UHFFFAOYSA-N183.7Ex 183.68(BP est) -34.01(MP est) ----(BP exp) ----(MP exp) ICPC(Cl)C -34PredN
CPC(I)CCl12398236.417C3H7ClIP(2-chloro-1-iodoethyl)(methyl)phosphaneN136CPC(I)CClInChI=1S/C3H7ClIP/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=HRNAIMIFDGTWLC-UHFFFAOYSA-N194.8Ex 194.81(BP est) -30.76(MP est) ----(BP exp) ----(MP exp) CPC(I)CCl -30.8PredN
PC(I)C(Cl)C12399236.417C3H7ClIP(2-chloro-1-iodopropyl)phosphaneN136PC(I)C(Cl)CInChI=1S/C3H7ClIP/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=RNOFSNYDMCMQFA-UHFFFAOYSA-N189.0Ex 188.95(BP est) -31.79(MP est) ----(BP exp) ----(MP exp) PC(I)C(Cl)C -31.8PredN
CPCC(Cl)I12400236.417C3H7ClIP(2-chloro-2-iodoethyl)(methyl)phosphaneN136CPCC(Cl)IInChI=1S/C3H7ClIP/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=QOAONHPPZABPNB-UHFFFAOYSA-N183.7Ex 183.68(BP est) -34.01(MP est) ----(BP exp) ----(MP exp) CPCC(Cl)I -34PredN
PCC(C)(Cl)I12401236.417C3H7ClIP(2-chloro-2-iodopropyl)phosphaneN136PCC(C)(Cl)IInChI=1S/C3H7ClIP/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=BKVALTOBKLWJTR-UHFFFAOYSA-N182.0Ex 182.00(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) PCC(C)(Cl)I -17.6PredN
PCC(Cl)CI12402236.417C3H7ClIP(2-chloro-3-iodopropyl)phosphaneN136PCC(Cl)CIInChI=1S/C3H7ClIP/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=GPWQSLRIRBXPAJ-UHFFFAOYSA-N201.1Ex 201.08(BP est) -20.74(MP est) ----(BP exp) ----(MP exp) PCC(Cl)CI -20.7PredN
ICPCCCl12403236.417C3H7ClIP(2-chloroethyl)(iodomethyl)phosphaneN136ICPCCClInChI=1S/C3H7ClIP/c4-1-2-6-3-5/h6H,1-3H2InChIKey=BNMCLSPIBUBQSZ-UHFFFAOYSA-N206.8Ex 206.79(BP est) -19.76(MP est) ----(BP exp) ----(MP exp) ICPCCCl -19.8PredN
PC(I)CCCl12404236.417C3H7ClIP(3-chloro-1-iodopropyl)phosphaneN136PC(I)CCClInChI=1S/C3H7ClIP/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=SXHDRHURXYIBLG-UHFFFAOYSA-N211.8Ex 211.79(BP est) -17.62(MP est) ----(BP exp) ----(MP exp) PC(I)CCCl -17.6PredN
PCC(I)CCl12405236.417C3H7ClIP(3-chloro-2-iodopropyl)phosphaneN136PCC(I)CClInChI=1S/C3H7ClIP/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=AOYUJRMKQCMHCO-UHFFFAOYSA-N211.8Ex 211.79(BP est) -17.62(MP est) ----(BP exp) ----(MP exp) PCC(I)CCl -17.6PredN
PCCC(Cl)I12406236.417C3H7ClIP(3-chloro-3-iodopropyl)phosphaneN136PCCC(Cl)IInChI=1S/C3H7ClIP/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=SRXCPGAFTUCCSR-UHFFFAOYSA-N201.1Ex 201.08(BP est) -20.74(MP est) ----(BP exp) ----(MP exp) PCCC(Cl)I -20.7PredN
ClC(PCC)I12407236.417C3H7ClIP(chloroiodomethyl)(ethyl)phosphaneN136ClC(PCC)IInChI=1S/C3H7ClIP/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=VGCVXBDJZNZBMR-UHFFFAOYSA-N183.7Ex 183.68(BP est) -34.01(MP est) ----(BP exp) ----(MP exp) ClC(PCC)I -34PredN
CP(C)C(Cl)I12408236.417C3H7ClIP(chloroiodomethyl)dimethylphosphaneN136CP(C)C(Cl)IInChI=1S/C3H7ClIP/c1-6(2)3(4)5/h3H,1-2H3InChIKey=YZJPWTDKFLWERE-UHFFFAOYSA-N184.5Ex 184.51(BP est) -34.45(MP est) ----(BP exp) ----(MP exp) CP(C)C(Cl)I -34.5PredN
ClCPC(I)C12409236.417C3H7ClIP(chloromethyl)(1-iodoethyl)phosphaneN136ClCPC(I)CInChI=1S/C3H7ClIP/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=XULLZWFDIWKXGC-UHFFFAOYSA-N194.8Ex 194.81(BP est) -30.76(MP est) ----(BP exp) ----(MP exp) ClCPC(I)C -30.8PredN
ClCPCCI12410236.417C3H7ClIP(chloromethyl)(2-iodoethyl)phosphaneN136ClCPCCIInChI=1S/C3H7ClIP/c4-3-6-2-1-5/h6H,1-3H2InChIKey=BYEZJBSIHOFBJJ-UHFFFAOYSA-N206.8Ex 206.79(BP est) -19.76(MP est) ----(BP exp) ----(MP exp) ClCPCCI -19.8PredN
CP(CCl)CI12411236.417C3H7ClIP(chloromethyl)(iodomethyl)(methyl)phosphaneN136CP(CCl)CIInChI=1S/C3H7ClIP/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=SFQKVZPJFPRIPO-UHFFFAOYSA-N207.6Ex 207.58(BP est) -20.22(MP est) ----(BP exp) ----(MP exp) CP(CCl)CI -20.2PredN
CSC(Cl)(I)(C)12412236.495C3H6ClIS(1-chloro-1-iodoethyl)(methyl)sulfaneN126CSC(Cl)(I)(C)InChI=1S/C3H6ClIS/c1-3(4,5)6-2/h1-2H3InChIKey=MNWGKUDBPJSDGP-UHFFFAOYSA-N188.9Ex 188.85(BP est) -14.09(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(I)(C) -14.1PredN
CSC(Cl)(CI)12413236.495C3H6ClIS(1-chloro-2-iodoethyl)(methyl)sulfaneN126CSC(Cl)(CI)InChI=1S/C3H6ClIS/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=BHKQBRHGPNOYOJ-UHFFFAOYSA-N207.7Ex 207.65(BP est) -17.31(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(CI) -17.3PredN
C(I)SC(Cl)(C)12414236.495C3H6ClIS(1-chloroethyl)(iodomethyl)sulfaneN126C(I)SC(Cl)(C)InChI=1S/C3H6ClIS/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=FIOIHEMBMNDGPE-UHFFFAOYSA-N207.7Ex 207.65(BP est) -17.31(MP est) ----(BP exp) ----(MP exp) C(I)SC(Cl)(C) -17.3PredN
CSC(I)(CCl)12415236.495C3H6ClIS(2-chloro-1-iodoethyl)(methyl)sulfaneN126CSC(I)(CCl)InChI=1S/C3H6ClIS/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=JRNLAOGHSIPMKL-UHFFFAOYSA-N218.2Ex 218.19(BP est) -14.23(MP est) ----(BP exp) ----(MP exp) CSC(I)(CCl) -14.2PredN
CSC(C(Cl)I)12416236.495C3H6ClIS(2-chloro-2-iodoethyl)(methyl)sulfaneN126CSC(C(Cl)I)InChI=1S/C3H6ClIS/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=QQLUEXGDAAFCDN-UHFFFAOYSA-N207.7Ex 207.65(BP est) -17.31(MP est) ----(BP exp) ----(MP exp) CSC(C(Cl)I) -17.3PredN
C(I)SC(CCl)12417236.495C3H6ClIS(2-chloroethyl)(iodomethyl)sulfaneN126C(I)SC(CCl)InChI=1S/C3H6ClIS/c4-1-2-6-3-5/h1-3H2InChIKey=XBQBAQMDJVYFJN-UHFFFAOYSA-N229.5Ex 229.52(BP est) -3.43(MP est) ----(BP exp) ----(MP exp) C(I)SC(CCl) -3.4PredN
C(Cl)(I)SC(C)12418236.495C3H6ClIS(chloroiodomethyl)(ethyl)sulfaneN126C(Cl)(I)SC(C)InChI=1S/C3H6ClIS/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=HWMUDLMAWXFDDZ-UHFFFAOYSA-N207.7Ex 207.65(BP est) -17.31(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)SC(C) -17.3PredN
C(Cl)SC(I)(C)12419236.495C3H6ClIS(chloromethyl)(1-iodoethyl)sulfaneN126C(Cl)SC(I)(C)InChI=1S/C3H6ClIS/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=ZFKQNGUSHPAZJD-UHFFFAOYSA-N218.2Ex 218.19(BP est) -14.23(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(I)(C) -14.2PredN
C(Cl)SC(CI)12420236.495C3H6ClIS(chloromethyl)(2-iodoethyl)sulfaneN126C(Cl)SC(CI)InChI=1S/C3H6ClIS/c4-3-6-2-1-5/h1-3H2InChIKey=NAHAOJAARPYIMC-UHFFFAOYSA-N229.5Ex 229.52(BP est) -3.43(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(CI) -3.4PredN
OC(Br)(I)12422236.834CH2BrIObromoiodomethanolN64OC(Br)(I)InChI=1S/CH2BrIO/c2-1(3)4/h1,4HInChIKey=LIECKKXYNBSCHX-UHFFFAOYSA-N201.0Ex 201.04(BP est) -2.36(MP est) ----(BP exp) ----(MP exp) OC(Br)(I) -2.4PredN
C(C1I)(C1(Cl)Cl)12423236.861C3H3Cl2I1,1-dichloro-2-iodocyclopropaneN96C(C1I)(C1(Cl)Cl)InChI=1S/C3H3Cl2I/c4-3(5)1-2(3)6/h2H,1H2InChIKey=QZVVICSCVYXZCB-UHFFFAOYSA-N169.6Ex 169.56(BP est) -4.37(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1(Cl)Cl) -4.4PredN
C(C(I)=C(Cl)Cl)12424236.861C3H3Cl2I1,1-dichloro-2-iodoprop-1-eneN96C(C(I)=C(Cl)Cl)InChI=1S/C3H3Cl2I/c1-2(6)3(4)5/h1H3InChIKey=HIRFAIXQCCMLLA-UHFFFAOYSA-N174.5Ex 174.47(BP est) -38.24(MP est) ----(BP exp) ----(MP exp) C(C(I)=C(Cl)Cl) -38.2PredN
C(I)(C=C(Cl)Cl)12425236.861C3H3Cl2I1,1-dichloro-3-iodoprop-1-eneN96C(I)(C=C(Cl)Cl)InChI=1S/C3H3Cl2I/c4-3(5)1-2-6/h1H,2H2InChIKey=ILRAFDOGHPRPSR-UHFFFAOYSA-N180.2Ex 180.18(BP est) -29.59(MP est) ----(BP exp) ----(MP exp) C(I)(C=C(Cl)Cl) -29.6PredN
C(C1Cl)(C1(Cl)I)12426236.861C3H3Cl2I1,2-dichloro-1-iodocyclopropaneN96C(C1Cl)(C1(Cl)I)InChI=1S/C3H3Cl2I/c4-2-1-3(2,5)6/h2H,1H2InChIKey=JCQRGJNQIDHBCB-UHFFFAOYSA-N181.0Ex 180.99(BP est) -1.04(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1(Cl)I) -1PredN
C(C(Cl)=C(Cl)I)12427236.861C3H3Cl2I1,2-dichloro-1-iodoprop-1-eneN96C(C(Cl)=C(Cl)I)InChI=1S/C3H3Cl2I/c1-2(4)3(5)6/h1H3InChIKey=IYLBNPKEQXYMAJ-UHFFFAOYSA-N174.5Ex 174.47(BP est) -38.24(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=C(Cl)I) -38.2PredN
C(Cl)(C1Cl)(C1I)12428236.861C3H3Cl2I1,2-dichloro-3-iodocyclopropaneN96C(Cl)(C1Cl)(C1I)InChI=1S/C3H3Cl2I/c4-1-2(5)3(1)6/h1-3HInChIKey=ZNPZOGNJZPBAFX-UHFFFAOYSA-N197.0Ex 196.95(BP est) -10.45(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1Cl)(C1I) -10.5PredN
C(I)(C(Cl)=CCl)12429236.861C3H3Cl2I1,2-dichloro-3-iodoprop-1-eneN96C(I)(C(Cl)=CCl)InChI=1S/C3H3Cl2I/c4-1-3(5)2-6/h1H,2H2InChIKey=SOUJESNBSABVTJ-UHFFFAOYSA-N180.2Ex 180.18(BP est) -29.59(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)=CCl) -29.6PredN
C(Cl)(C=C(Cl)I)12430236.861C3H3Cl2I1,3-dichloro-1-iodoprop-1-eneN96C(Cl)(C=C(Cl)I)InChI=1S/C3H3Cl2I/c4-2-1-3(5)6/h1H,2H2InChIKey=NSHNVTDLKGZPKU-UHFFFAOYSA-N204.1Ex 204.06(BP est) -22.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(Cl)I) -22.6PredN
C(Cl)(C(I)=CCl)12431236.861C3H3Cl2I1,3-dichloro-2-iodoprop-1-eneN96C(Cl)(C(I)=CCl)InChI=1S/C3H3Cl2I/c4-1-3(6)2-5/h1H,2H2InChIKey=NVUAWZHJCHGQFS-UHFFFAOYSA-N204.1Ex 204.06(BP est) -22.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)=CCl) -22.6PredN
C(Cl)(I)(C=CCl)12432236.861C3H3Cl2I1,3-dichloro-3-iodoprop-1-eneN96C(Cl)(I)(C=CCl)InChI=1S/C3H3Cl2I/c4-2-1-3(5)6/h1-3HInChIKey=DOBWPNZMROVLMD-UHFFFAOYSA-N186.4Ex 186.44(BP est) -28.29(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C=CCl) -28.3PredN
C(Cl)(C(Cl)=CI)12433236.861C3H3Cl2I2,3-dichloro-1-iodoprop-1-eneN96C(Cl)(C(Cl)=CI)InChI=1S/C3H3Cl2I/c4-1-3(5)2-6/h2H,1H2InChIKey=GYLLRULAKBKDDC-UHFFFAOYSA-N204.1Ex 204.06(BP est) -22.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)=CI) -22.6PredN
C(Cl)(I)(C(Cl)=C)12434236.861C3H3Cl2I2,3-dichloro-3-iodoprop-1-eneN96C(Cl)(I)(C(Cl)=C)InChI=1S/C3H3Cl2I/c1-2(4)3(5)6/h3H,1H2InChIKey=OAKAOUKRZZADSS-UHFFFAOYSA-N172.8Ex 172.79(BP est) -37.59(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C(Cl)=C) -37.6PredN
C(Cl)(Cl)(C=CI)12435236.861C3H3Cl2I3,3-dichloro-1-iodoprop-1-eneN96C(Cl)(Cl)(C=CI)InChI=1S/C3H3Cl2I/c4-3(5)1-2-6/h1-3HInChIKey=KGVLIPQOLLDGIZ-UHFFFAOYSA-N199.2Ex 199.24(BP est) -24.55(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C=CI) -24.6PredN
C(Cl)(Cl)(C(I)=C)12436236.861C3H3Cl2I3,3-dichloro-2-iodoprop-1-eneN96C(Cl)(Cl)(C(I)=C)InChI=1S/C3H3Cl2I/c1-2(6)3(4)5/h3H,1H2InChIKey=ALNTUHPRYLUSCM-UHFFFAOYSA-N186.0Ex 185.97(BP est) -33.74(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(I)=C) -33.7PredN
C(Cl)(Cl)(I)(C=C)12437236.861C3H3Cl2I3,3-dichloro-3-iodoprop-1-eneN96C(Cl)(Cl)(I)(C=C)InChI=1S/C3H3Cl2I/c1-2-3(4,5)6/h2H,1H2InChIKey=HHLSZLWEEFVYHS-UHFFFAOYSA-N160.4Ex 160.42(BP est) -25.51(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(I)(C=C) -25.5PredN
CNC(Br)(Br)(Cl)12438237.319C2H4Br2ClN1,1-dibromo-1-chloro-N-methylmethanamineN106CNC(Br)(Br)(Cl)InChI=1S/C2H4Br2ClN/c1-6-2(3,4)5/h6H,1H3InChIKey=RTBXJJHLNMFHTB-UHFFFAOYSA-N184.4Ex 184.42(BP est) 18.88(MP est) ----(BP exp) ----(MP exp) CNC(Br)(Br)(Cl) 18.9PredN
NC(Br)(Br)(CCl)12439237.319C2H4Br2ClN1,1-dibromo-2-chloroethan-1-amineN106NC(Br)(Br)(CCl)InChI=1S/C2H4Br2ClN/c3-2(4,6)1-5/h1,6H2InChIKey=FWSHUYLJNQAZBM-UHFFFAOYSA-N221.4Ex 221.42(BP est) 35.20(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(CCl) 35.2PredN
C(Cl)NC(Br)(Br)12440237.319C2H4Br2ClN1,1-dibromo-N-(chloromethyl)methanamineN106C(Cl)NC(Br)(Br)InChI=1S/C2H4Br2ClN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=PTYFMMOBAUMLER-UHFFFAOYSA-N214.1Ex 214.06(BP est) 18.82(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Br)(Br) 18.8PredN
NC(Br)(Cl)(CBr)12441237.319C2H4Br2ClN1,2-dibromo-1-chloroethan-1-amineN106NC(Br)(Cl)(CBr)InChI=1S/C2H4Br2ClN/c3-1-2(4,5)6/h1,6H2InChIKey=ZXYPFNSMAADOEG-UHFFFAOYSA-N200.3Ex 200.26(BP est) 26.96(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)(CBr) 27PredN
NC(Br)(C(Br)Cl)12442237.319C2H4Br2ClN1,2-dibromo-2-chloroethan-1-amineN106NC(Br)(C(Br)Cl)InChI=1S/C2H4Br2ClN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=NYILVAQAPQGREW-UHFFFAOYSA-N206.9Ex 206.93(BP est) 24.54(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Br)Cl) 24.5PredN
C(Br)NC(Br)(Cl)12443237.319C2H4Br2ClN1-bromo-N-(bromomethyl)-1-chloromethanamineN106C(Br)NC(Br)(Cl)InChI=1S/C2H4Br2ClN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=ACAZRHFHXCJEAD-UHFFFAOYSA-N203.4Ex 203.41(BP est) 15.71(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Br)(Cl) 15.7PredN
NC(Cl)(C(Br)Br)12444237.319C2H4Br2ClN2,2-dibromo-1-chloroethan-1-amineN106NC(Cl)(C(Br)Br)InChI=1S/C2H4Br2ClN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=AQDASAWQWKDLFN-UHFFFAOYSA-N206.9Ex 206.93(BP est) 24.54(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Br)Br) 24.5PredN
NC(C(Br)(Br)Cl)12445237.319C2H4Br2ClN2,2-dibromo-2-chloroethan-1-amineN106NC(C(Br)(Br)Cl)InChI=1S/C2H4Br2ClN/c3-2(4,5)1-6/h1,6H2InChIKey=SDHCMRRXTYYXHF-UHFFFAOYSA-N200.3Ex 200.26(BP est) 26.96(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(Br)Cl) 27PredN
O=PC(F)(Br)Br12447237.79CBr2FOP(dibromofluoromethyl)(oxo)phosphaneN66O=PC(F)(Br)BrInChI=1S/CBr2FOP/c2-1(3,4)6-5InChIKey=CXKXWJSQBRSKIL-UHFFFAOYSA-N187.7Ex 187.71(BP est) 6.39(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Br)Br 6.4PredN
PC(CF)(Br)Br12448237.834C2H4Br2FP(1,1-dibromo-2-fluoroethyl)phosphaneN106PC(CF)(Br)BrInChI=1S/C2H4Br2FP/c3-2(4,6)1-5/h1,6H2InChIKey=XOKUDIKOCSOLOT-UHFFFAOYSA-N167.1Ex 167.07(BP est) -11.49(MP est) ----(BP exp) ----(MP exp) PC(CF)(Br)Br -11.5PredN
PC(CBr)(Br)F12449237.834C2H4Br2FP(1,2-dibromo-1-fluoroethyl)phosphaneN106PC(CBr)(Br)FInChI=1S/C2H4Br2FP/c3-1-2(4,5)6/h1,6H2InChIKey=FMAIYYSNPAGVIY-UHFFFAOYSA-N167.1Ex 167.07(BP est) -11.49(MP est) ----(BP exp) ----(MP exp) PC(CBr)(Br)F -11.5PredN
PC(Br)C(Br)F12450237.834C2H4Br2FP(1,2-dibromo-2-fluoroethyl)phosphaneN106PC(Br)C(Br)FInChI=1S/C2H4Br2FP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=NDXZKXYMURQQOZ-UHFFFAOYSA-N162.7Ex 162.65(BP est) -29.00(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Br)F -29PredN
PC(F)C(Br)Br12451237.834C2H4Br2FP(2,2-dibromo-1-fluoroethyl)phosphaneN106PC(F)C(Br)BrInChI=1S/C2H4Br2FP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=CDBBNDQGKJSXRN-UHFFFAOYSA-N162.7Ex 162.65(BP est) -29.00(MP est) ----(BP exp) ----(MP exp) PC(F)C(Br)Br -29PredN
PCC(F)(Br)Br12452237.834C2H4Br2FP(2,2-dibromo-2-fluoroethyl)phosphaneN106PCC(F)(Br)BrInChI=1S/C2H4Br2FP/c3-2(4,5)1-6/h1,6H2InChIKey=JVGXEMGDWMBRCR-UHFFFAOYSA-N167.1Ex 167.07(BP est) -11.49(MP est) ----(BP exp) ----(MP exp) PCC(F)(Br)Br -11.5PredN
BrCPC(Br)F12453237.834C2H4Br2FP(bromofluoromethyl)(bromomethyl)phosphaneN106BrCPC(Br)FInChI=1S/C2H4Br2FP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=ONJIXUOLJNHKMF-UHFFFAOYSA-N157.1Ex 157.09(BP est) -31.30(MP est) ----(BP exp) ----(MP exp) BrCPC(Br)F -31.3PredN
CPC(F)(Br)Br12454237.834C2H4Br2FP(dibromofluoromethyl)(methyl)phosphaneN106CPC(F)(Br)BrInChI=1S/C2H4Br2FP/c1-6-2(3,4)5/h6H,1H3InChIKey=BHNDRFLJWORHNG-UHFFFAOYSA-N148.4Ex 148.39(BP est) -25.13(MP est) ----(BP exp) ----(MP exp) CPC(F)(Br)Br -25.1PredN
FCPC(Br)Br12455237.834C2H4Br2FP(dibromomethyl)(fluoromethyl)phosphaneN106FCPC(Br)BrInChI=1S/C2H4Br2FP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=CSFYEVCWBHUPDF-UHFFFAOYSA-N157.1Ex 157.09(BP est) -31.30(MP est) ----(BP exp) ----(MP exp) FCPC(Br)Br -31.3PredN
IC1C(Cl)(Cl)N112456237.849C2H2Cl2IN2,2-dichloro-3-iodoaziridineN86IC1C(Cl)(Cl)N1InChI=1S/C2H2Cl2IN/c3-2(4)1(5)6-2/h1,6HInChIKey=JKUIAOGCOQGFHQ-UHFFFAOYSA-N202.7Ex 202.66(BP est) 28.42(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(Cl)N1 28.4PredN
ClC1C(Cl)(I)N112457237.849C2H2Cl2IN2,3-dichloro-2-iodoaziridineN86ClC1C(Cl)(I)N1InChI=1S/C2H2Cl2IN/c3-1-2(4,5)6-1/h1,6HInChIKey=GZYXUHAKFADWEU-UHFFFAOYSA-N213.3Ex 213.29(BP est) 33.08(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(I)N1 33.1PredN
C(Br)SC(Br)(F)12458237.912C2H3Br2FS(bromofluoromethyl)(bromomethyl)sulfaneN96C(Br)SC(Br)(F)InChI=1S/C2H3Br2FS/c3-1-6-2(4)5/h2H,1H2InChIKey=VBXIOTPXDJRZSH-UHFFFAOYSA-N182.4Ex 182.41(BP est) -14.21(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Br)(F) -14.2PredN
CSC(Br)(Br)(F)12459237.912C2H3Br2FS(dibromofluoromethyl)(methyl)sulfaneN96CSC(Br)(Br)(F)InChI=1S/C2H3Br2FS/c1-6-2(3,4)5/h1H3InChIKey=KXWJGKGQDIZNDM-UHFFFAOYSA-N174.1Ex 174.14(BP est) -7.92(MP est) ----(BP exp) ----(MP exp) CSC(Br)(Br)(F) -7.9PredN
C(F)SC(Br)(Br)12460237.912C2H3Br2FS(dibromomethyl)(fluoromethyl)sulfaneN96C(F)SC(Br)(Br)InChI=1S/C2H3Br2FS/c3-2(4)6-1-5/h2H,1H2InChIKey=YXJJMPCFHKFKOR-UHFFFAOYSA-N182.4Ex 182.41(BP est) -14.21(MP est) ----(BP exp) ----(MP exp) C(F)SC(Br)(Br) -14.2PredN
SC(Br)(Br)(CF)12461237.912C2H3Br2FS1,1-dibromo-2-fluoroethane-1-thiolN96SC(Br)(Br)(CF)InChI=1S/C2H3Br2FS/c3-2(4,6)1-5/h6H,1H2InChIKey=VAGNMUIWNDIUTC-UHFFFAOYSA-N186.6Ex 186.61(BP est) -3.25(MP est) ----(BP exp) ----(MP exp) SC(Br)(Br)(CF) -3.3PredN
SC(Br)(F)(CBr)12462237.912C2H3Br2FS1,2-dibromo-1-fluoroethane-1-thiolN96SC(Br)(F)(CBr)InChI=1S/C2H3Br2FS/c3-1-2(4,5)6/h6H,1H2InChIKey=JEQJUHPUTYKNGI-UHFFFAOYSA-N186.6Ex 186.61(BP est) -3.25(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(CBr) -3.3PredN
SC(Br)(C(Br)F)12463237.912C2H3Br2FS1,2-dibromo-2-fluoroethane-1-thiolN96SC(Br)(C(Br)F)InChI=1S/C2H3Br2FS/c3-1(5)2(4)6/h1-2,6HInChIKey=POWQJGMTNYANIJ-UHFFFAOYSA-N182.4Ex 182.35(BP est) -20.70(MP est) ----(BP exp) ----(MP exp) SC(Br)(C(Br)F) -20.7PredN
SC(F)(C(Br)Br)12464237.912C2H3Br2FS2,2-dibromo-1-fluoroethane-1-thiolN96SC(F)(C(Br)Br)InChI=1S/C2H3Br2FS/c3-1(4)2(5)6/h1-2,6HInChIKey=LNEPVBFYYQXJIX-UHFFFAOYSA-N182.4Ex 182.35(BP est) -20.70(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Br)Br) -20.7PredN
SC(C(Br)(Br)F)12465237.912C2H3Br2FS2,2-dibromo-2-fluoroethane-1-thiolN96SC(C(Br)(Br)F)InChI=1S/C2H3Br2FS/c3-2(4,5)1-6/h6H,1H2InChIKey=RUHWJKSRWWYYOV-UHFFFAOYSA-N186.6Ex 186.61(BP est) -3.25(MP est) ----(BP exp) ----(MP exp) SC(C(Br)(Br)F) -3.3PredN
CSSC(F)(I)12466238.077C2H4FIS21-(fluoroiodomethyl)-2-methyldisulfaneN106CSSC(F)(I)InChI=1S/C2H4FIS2/c1-5-6-2(3)4/h2H,1H3InChIKey=OQOIAFJSZYTPEI-UHFFFAOYSA-N204.3Ex 204.34(BP est) -21.38(MP est) ----(BP exp) ----(MP exp) CSSC(F)(I) -21.4PredN
C(I)SSC(F)12467238.077C2H4FIS21-(fluoromethyl)-2-(iodomethyl)disulfaneN106C(I)SSC(F)InChI=1S/C2H4FIS2/c3-1-5-6-2-4/h1-2H2InChIKey=VGKJQUAMKKHLDZ-UHFFFAOYSA-N216.1Ex 216.06(BP est) -10.46(MP est) ----(BP exp) ----(MP exp) C(I)SSC(F) -10.5PredN
C(Cl)(F)=C(Br)(Br)12468238.278C2Br2ClF1,1-dibromo-2-chloro-2-fluoroetheneN66C(Cl)(F)=C(Br)(Br)InChI=1S/C2Br2ClF/c3-1(4)2(5)6InChIKey=ZTIXKKDEQLXEBV-UHFFFAOYSA-N161.2Ex 161.23(BP est) -31.63(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(Br)(Br) -31.6PredN
C(Br)(Cl)=C(Br)(F)12469238.278C2Br2ClF1,2-dibromo-1-chloro-2-fluoroetheneN66C(Br)(Cl)=C(Br)(F)InChI=1S/C2Br2ClF/c3-1(5)2(4)6InChIKey=ZHOIXZCYMHHAJG-UHFFFAOYSA-N161.2Ex 161.23(BP est) -31.63(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)=C(Br)(F) -31.6PredN
C(Br)OC(Br)(Cl)12470238.303C2H3Br2ClObromo(bromomethoxy)chloromethaneN96C(Br)OC(Br)(Cl)InChI=1S/C2H3Br2ClO/c3-1-6-2(4)5/h2H,1H2InChIKey=JHUGZTBIFYZIQD-UHFFFAOYSA-N186.7Ex 186.68(BP est) -4.38(MP est) ----(BP exp) ----(MP exp) C(Br)OC(Br)(Cl) -4.4PredN
C(Cl)OC(Br)(Br)12471238.303C2H3Br2ClOdibromo(chloromethoxy)methaneN96C(Cl)OC(Br)(Br)InChI=1S/C2H3Br2ClO/c3-2(4)6-1-5/h2H,1H2InChIKey=XYQKTPWDWKSCHY-UHFFFAOYSA-N197.7Ex 197.74(BP est) -1.16(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(Br)(Br) -1.2PredN
COC(Br)(Br)(Cl)12472238.303C2H3Br2ClOdibromochloro(methoxy)methaneN96COC(Br)(Br)(Cl)InChI=1S/C2H3Br2ClO/c1-6-2(3,4)5/h1H3InChIKey=WYHALGPHDMVIMQ-UHFFFAOYSA-N167.0Ex 166.99(BP est) -1.42(MP est) ----(BP exp) ----(MP exp) COC(Br)(Br)(Cl) -1.4PredN
NNC(Br)(Br)(Cl)12473238.307CH3Br2ClN2(dibromochloromethyl)hydrazineN96NNC(Br)(Br)(Cl)InChI=1S/CH3Br2ClN2/c2-1(3,4)6-5/h6H,5H2InChIKey=RGNRAIYNUDVCGT-UHFFFAOYSA-N217.2Ex 217.22(BP est) 38.81(MP est) ----(BP exp) ----(MP exp) NNC(Br)(Br)(Cl) 38.8PredN
PC(Cl)=C(F)I12474238.365C2H2ClFIP(1-chloro-2-fluoro-2-iodovinyl)phosphaneN86PC(Cl)=C(F)IInChI=1S/C2H2ClFIP/c3-1(6)2(4)5/h6H2InChIKey=HDAXNMYHULFHSH-UHFFFAOYSA-N177.2Ex 177.22(BP est) -42.05(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(F)I -42.1PredN
PC(F)=C(Cl)I12475238.365C2H2ClFIP(2-chloro-1-fluoro-2-iodovinyl)phosphaneN86PC(F)=C(Cl)IInChI=1S/C2H2ClFIP/c3-1(5)2(4)6/h6H2InChIKey=IIPKYADFODLILQ-UHFFFAOYSA-N177.2Ex 177.22(BP est) -42.05(MP est) ----(BP exp) ----(MP exp) PC(F)=C(Cl)I -42.1PredN
PC(I)=C(Cl)F12476238.365C2H2ClFIP(2-chloro-2-fluoro-1-iodovinyl)phosphaneN86PC(I)=C(Cl)FInChI=1S/C2H2ClFIP/c3-1(4)2(5)6/h6H2InChIKey=ZJOLDSRRFLUHLJ-UHFFFAOYSA-N177.2Ex 177.22(BP est) -42.05(MP est) ----(BP exp) ----(MP exp) PC(I)=C(Cl)F -42.1PredN
IC1C(F)(Cl)P112477238.365C2H2ClFIP2-chloro-2-fluoro-3-iodophosphiraneN86IC1C(F)(Cl)P1InChI=1S/C2H2ClFIP/c3-2(4)1(5)6-2/h1,6HInChIKey=RHPDKJJHQYBNBC-UHFFFAOYSA-N149.9Ex 149.89(BP est) -21.16(MP est) ----(BP exp) ----(MP exp) IC1C(F)(Cl)P1 -21.2PredN
FC1C(I)(Cl)P112478238.365C2H2ClFIP2-chloro-3-fluoro-2-iodophosphiraneN86FC1C(I)(Cl)P1InChI=1S/C2H2ClFIP/c3-2(5)1(4)6-2/h1,6HInChIKey=RGJALGUFMREULH-UHFFFAOYSA-N149.9Ex 149.89(BP est) -21.16(MP est) ----(BP exp) ----(MP exp) FC1C(I)(Cl)P1 -21.2PredN
ClC1C(I)(F)P112479238.365C2H2ClFIP3-chloro-2-fluoro-2-iodophosphiraneN86ClC1C(I)(F)P1InChI=1S/C2H2ClFIP/c3-1-2(4,5)6-1/h1,6HInChIKey=JQWOOUWPADPZHT-UHFFFAOYSA-N161.8Ex 161.77(BP est) -17.69(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(F)P1 -17.7PredN
ClC(POC)I12485238.389C2H5ClIOP(chloroiodomethyl)(methoxy)phosphaneN116ClC(POC)IInChI=1S/C2H5ClIOP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=RYJCMLVNLGRRNW-UHFFFAOYSA-N184.5Ex 184.48(BP est) -28.30(MP est) ----(BP exp) ----(MP exp) ClC(POC)I -28.3PredN
O=P(C)C(Cl)I12486238.389C2H5ClIOP(chloroiodomethyl)(methyl)phosphine oxideN116O=P(C)C(Cl)IInChI=1S/C2H5ClIOP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=VAULALZYUILVCI-UHFFFAOYSA-N218.5Ex 218.48(BP est) -11.98(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Cl)I -12PredN
O=P(CCl)CI12488238.389C2H5ClIOP(chloromethyl)(iodomethyl)phosphine oxideN116O=P(CCl)CIInChI=1S/C2H5ClIOP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=CQZCFFHTHILVFP-UHFFFAOYSA-N239.8Ex 239.77(BP est) 1.73(MP est) ----(BP exp) ----(MP exp) O=P(CCl)CI 1.7PredN
IC1C(Cl)(F)S112489238.443C2HClFIS2-chloro-2-fluoro-3-iodothiiraneN76IC1C(Cl)(F)S1InChI=1S/C2HClFIS/c3-2(4)1(5)6-2/h1HInChIKey=KCAKEVXHIPSKOZ-UHFFFAOYSA-N175.2Ex 175.20(BP est) 15.70(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(F)S1 15.7PredN
FC1C(Cl)(I)S112490238.443C2HClFIS2-chloro-3-fluoro-2-iodothiiraneN76FC1C(Cl)(I)S1InChI=1S/C2HClFIS/c3-2(5)1(4)6-2/h1HInChIKey=KHQOPVQUFXOXQM-UHFFFAOYSA-N175.2Ex 175.20(BP est) 15.70(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(I)S1 15.7PredN
ClC1C(F)(I)S112491238.443C2HClFIS3-chloro-2-fluoro-2-iodothiiraneN76ClC1C(F)(I)S1InChI=1S/C2HClFIS/c3-1-2(4,5)6-1/h1HInChIKey=WAJVFBJDGFTGPR-UHFFFAOYSA-N186.5Ex 186.50(BP est) 19.00(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(I)S1 19PredN
C(Br)(F)(I)12493238.826CHBrFIbromofluoroiodomethaneN54C(Br)(F)(I)InChI=1S/CHBrFI/c2-1(3)4/h1HInChIKey=FMFUPOAGBUBEFH-UHFFFAOYSA-N103.0Ex 130.03(BP est) -53.21(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(I) -53.2PredN
C(=O)C(Cl)(Cl)(I)12494238.833C2HCl2IO2,2-dichloro-2-iodoacetaldehydeN76C(=O)C(Cl)(Cl)(I)InChI=1S/C2HCl2IO/c3-2(4,5)1-6/h1HInChIKey=LJYHCFPWHRROJM-UHFFFAOYSA-N194.1Ex 194.07(BP est) 0.56(MP est) ----(BP exp) ----(MP exp) C(=O)C(Cl)(Cl)(I) 0.6PredN
IC1C(Cl)(Cl)O112495238.833C2HCl2IO2,2-dichloro-3-iodooxiraneN76IC1C(Cl)(Cl)O1InChI=1S/C2HCl2IO/c3-2(4)1(5)6-2/h1HInChIKey=VFLMAOCEEYHPMH-UHFFFAOYSA-N175.3Ex 175.27(BP est) 4.94(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(Cl)O1 4.9PredN
ClC1C(Cl)(I)O112496238.833C2HCl2IO2,3-dichloro-2-iodooxiraneN76ClC1C(Cl)(I)O1InChI=1S/C2HCl2IO/c3-1-2(4,5)6-1/h1HInChIKey=FPFAMOAOWJLYHE-UHFFFAOYSA-N186.6Ex 186.56(BP est) 8.24(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(I)O1 8.2PredN
C(CC(Cl)(Cl)I)12497238.877C3H5Cl2I1,1-dichloro-1-iodopropaneN116C(CC(Cl)(Cl)I)InChI=1S/C3H5Cl2I/c1-2-3(4,5)6/h2H2,1H3InChIKey=MNOCMKBBSJRYBL-UHFFFAOYSA-N162.0Ex 162.03(BP est) -24.16(MP est) ----(BP exp) ----(MP exp) C(CC(Cl)(Cl)I) -24.2PredN
C(C(I)C(Cl)Cl)12498238.877C3H5Cl2I1,1-dichloro-2-iodopropaneN116C(C(I)C(Cl)Cl)InChI=1S/C3H5Cl2I/c1-2(6)3(4)5/h2-3H,1H3InChIKey=HRSUKXKYFJUFOP-UHFFFAOYSA-N180.7Ex 180.70(BP est) -34.92(MP est) ----(BP exp) ----(MP exp) C(C(I)C(Cl)Cl) -34.9PredN
C(I)(CC(Cl)Cl)12499238.877C3H5Cl2I1,1-dichloro-3-iodopropaneN116C(I)(CC(Cl)Cl)InChI=1S/C3H5Cl2I/c4-3(5)1-2-6/h3H,1-2H2InChIKey=XBLNZXCDIHBJCS-UHFFFAOYSA-N193.1Ex 193.06(BP est) -23.81(MP est) ----(BP exp) ----(MP exp) C(I)(CC(Cl)Cl) -23.8PredN
C(C(Cl)C(Cl)I)12500238.877C3H5Cl2I1,2-dichloro-1-iodopropaneN116C(C(Cl)C(Cl)I)InChI=1S/C3H5Cl2I/c1-2(4)3(5)6/h2-3H,1H3InChIKey=ROUQGHZIBUMXTI-UHFFFAOYSA-N180.7Ex 180.70(BP est) -34.92(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(Cl)I) -34.9PredN
C(C(Cl)(I)CCl)12501238.877C3H5Cl2I1,2-dichloro-2-iodopropaneN116C(C(Cl)(I)CCl)InChI=1S/C3H5Cl2I/c1-3(5,6)2-4/h2H2,1H3InChIKey=CLFNKBPTEIPHMD-UHFFFAOYSA-N185.0Ex 185.00(BP est) -17.45(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(I)CCl) -17.5PredN
C(Cl)(C(Cl)CI)12502238.877C3H5Cl2I1,2-dichloro-3-iodopropaneN116C(Cl)(C(Cl)CI)InChI=1S/C3H5Cl2I/c4-1-3(5)2-6/h3H,1-2H2InChIKey=LYSYHOTYRBVHIH-UHFFFAOYSA-N204.0Ex 203.96(BP est) -20.63(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)CI) -20.6PredN
C(Cl)(CC(Cl)I)12503238.877C3H5Cl2I1,3-dichloro-1-iodopropaneN116C(Cl)(CC(Cl)I)InChI=1S/C3H5Cl2I/c4-2-1-3(5)6/h3H,1-2H2InChIKey=WIRDNTOHKIZCOX-UHFFFAOYSA-N204.0Ex 203.96(BP est) -20.63(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(Cl)I) -20.6PredN
C(Cl)(C(I)CCl)12504238.877C3H5Cl2I1,3-dichloro-2-iodopropaneN116C(Cl)(C(I)CCl)InChI=1S/C3H5Cl2I/c4-1-3(6)2-5/h3H,1-2H2InChIKey=ZZECPXIMSWXYMJ-UHFFFAOYSA-N214.6Ex 214.60(BP est) -17.52(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)CCl) -17.5PredN
C(C(Cl)(Cl)CI)12505238.877C3H5Cl2I2,2-dichloro-1-iodopropaneN116C(C(Cl)(Cl)CI)InChI=1S/C3H5Cl2I/c1-3(4,5)2-6/h2H2,1H3InChIKey=RTGBKMDNSRZNOU-UHFFFAOYSA-N162.0Ex 162.03(BP est) -24.16(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(Cl)CI) -24.2PredN
NOC(Br)(Cl)Br12508239.291CH2Br2ClNOO-(dibromochloromethyl)hydroxylamineN86NOC(Br)(Cl)BrInChI=1S/CH2Br2ClNO/c2-1(3,4)6-5/h5H2InChIKey=VZHKIGTVJJTTCZ-UHFFFAOYSA-N201.0Ex 201.03(BP est) 24.12(MP est) ----(BP exp) ----(MP exp) NOC(Br)(Cl)Br 24.1PredN
CNC(Cl)(Cl)(I)12510239.865C2H4Cl2IN1,1-dichloro-1-iodo-N-methylmethanamineN106CNC(Cl)(Cl)(I)InChI=1S/C2H4Cl2IN/c1-6-2(3,4)5/h6H,1H3InChIKey=KZSKQQFGPBLCAT-UHFFFAOYSA-N180.4Ex 180.44(BP est) 1.91(MP est) ----(BP exp) ----(MP exp) CNC(Cl)(Cl)(I) 1.9PredN
NC(Cl)(Cl)(CI)12511239.865C2H4Cl2IN1,1-dichloro-2-iodoethan-1-amineN106NC(Cl)(Cl)(CI)InChI=1S/C2H4Cl2IN/c3-2(4,6)1-5/h1,6H2InChIKey=WKFNRLPKABUMTL-UHFFFAOYSA-N196.4Ex 196.42(BP est) 21.87(MP est) ----(BP exp) ----(MP exp) NC(Cl)(Cl)(CI) 21.9PredN
C(I)NC(Cl)(Cl)12512239.865C2H4Cl2IN1,1-dichloro-N-(iodomethyl)methanamineN106C(I)NC(Cl)(Cl)InChI=1S/C2H4Cl2IN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=LTFUSLSBOSGANC-UHFFFAOYSA-N210.3Ex 210.30(BP est) 1.92(MP est) ----(BP exp) ----(MP exp) C(I)NC(Cl)(Cl) 1.9PredN
NC(Cl)(I)(CCl)12513239.865C2H4Cl2IN1,2-dichloro-1-iodoethan-1-amineN106NC(Cl)(I)(CCl)InChI=1S/C2H4Cl2IN/c3-1-2(4,5)6/h1,6H2InChIKey=VLZQXFOXHJAHDT-UHFFFAOYSA-N217.8Ex 217.76(BP est) 28.10(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)(CCl) 28.1PredN
NC(Cl)(C(Cl)I)12514239.865C2H4Cl2IN1,2-dichloro-2-iodoethan-1-amineN106NC(Cl)(C(Cl)I)InChI=1S/C2H4Cl2IN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=OSZXEFBWLFOHEZ-UHFFFAOYSA-N213.8Ex 213.77(BP est) 10.73(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Cl)I) 10.7PredN
C(Cl)NC(Cl)(I)12515239.865C2H4Cl2IN1-chloro-N-(chloromethyl)-1-iodomethanamineN106C(Cl)NC(Cl)(I)InChI=1S/C2H4Cl2IN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=ZBAJTGHPFUKOKM-UHFFFAOYSA-N220.8Ex 220.78(BP est) 4.97(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Cl)(I) 5PredN
NC(I)(C(Cl)Cl)12516239.865C2H4Cl2IN2,2-dichloro-1-iodoethan-1-amineN106NC(I)(C(Cl)Cl)InChI=1S/C2H4Cl2IN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=ONPSCGUXNBMXEU-UHFFFAOYSA-N213.8Ex 213.77(BP est) 10.73(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Cl)Cl) 10.7PredN
NC(C(Cl)(Cl)I)12517239.865C2H4Cl2IN2,2-dichloro-2-iodoethan-1-amineN106NC(C(Cl)(Cl)I)InChI=1S/C2H4Cl2IN/c3-2(4,5)1-6/h1,6H2InChIKey=AHVFGDUEPDTBAT-UHFFFAOYSA-N196.4Ex 196.42(BP est) 21.87(MP est) ----(BP exp) ----(MP exp) NC(C(Cl)(Cl)I) 21.9PredN
PC(Cl)(Br)Br12521240.259CH2Br2ClP(dibromochloromethyl)phosphaneN75PC(Cl)(Br)BrInChI=1S/CH2Br2ClP/c2-1(3,4)5/h5H2InChIKey=HXZTWKNASXCGSL-UHFFFAOYSA-N177.4Ex 177.44(BP est) 0.56(MP est) ----(BP exp) ----(MP exp) PC(Cl)(Br)Br 0.6PredN
C(F)(C(Br)(Br)Cl)12522240.294C2H2Br2ClF1,1-dibromo-1-chloro-2-fluoroethaneN86C(F)(C(Br)(Br)Cl)InChI=1S/C2H2Br2ClF/c3-2(4,5)1-6/h1H2InChIKey=JFSBLBGJTRBWAJ-UHFFFAOYSA-N146.5Ex 146.50(BP est) -18.23(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(Br)Cl) -18.2PredN
C(Cl)(C(Br)(Br)F)12523240.294C2H2Br2ClF1,1-dibromo-2-chloro-1-fluoroethaneN86C(Cl)(C(Br)(Br)F)InChI=1S/C2H2Br2ClF/c3-2(4,6)1-5/h1H2InChIKey=MOPQQGWHNRSYLM-UHFFFAOYSA-N170.2Ex 170.17(BP est) -11.32(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)(Br)F) -11.3PredN
C(Cl)(F)(C(Br)Br)12524240.294C2H2Br2ClF1,1-dibromo-2-chloro-2-fluoroethaneN86C(Cl)(F)(C(Br)Br)InChI=1S/C2H2Br2ClF/c3-1(4)2(5)6/h1-2HInChIKey=UAECGNJLLDJALY-UHFFFAOYSA-N154.0Ex 153.95(BP est) -32.26(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(Br)Br) -32.3PredN
C(Br)(C(Br)(Cl)F)12525240.294C2H2Br2ClF1,2-dibromo-1-chloro-1-fluoroethaneN86C(Br)(C(Br)(Cl)F)InChI=1S/C2H2Br2ClF/c3-1-2(4,5)6/h1H2InChIKey=ZGOJBBYSXFXRKB-UHFFFAOYSA-N146.5Ex 146.50(BP est) -18.23(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)(Cl)F) -18.2PredN
C(Br)(Cl)(C(Br)F)12526240.294C2H2Br2ClF1,2-dibromo-1-chloro-2-fluoroethaneN86C(Br)(Cl)(C(Br)F)InChI=1S/C2H2Br2ClF/c3-1(5)2(4)6/h1-2HInChIKey=LHDLVWSKQPRGES-UHFFFAOYSA-N154.0Ex 153.95(BP est) -32.26(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C(Br)F) -32.3PredN
SC(Br)(Br)(Cl)12527240.337CHBr2ClSdibromochloromethanethiolN65SC(Br)(Br)(Cl)InChI=1S/CHBr2ClS/c2-1(3,4)5/h5HInChIKey=PVBGBKRSPJZDRR-UHFFFAOYSA-N196.6Ex 196.56(BP est) 8.69(MP est) ----(BP exp) ----(MP exp) SC(Br)(Br)(Cl) 8.7PredN
O=PC(I)(Cl)F12528240.337CClFIOP(chlorofluoroiodomethyl)(oxo)phosphaneN66O=PC(I)(Cl)FInChI=1S/CClFIOP/c2-1(3,4)6-5InChIKey=BTPXOBCAGMURKN-UHFFFAOYSA-N183.8Ex 183.75(BP est) -10.57(MP est) ----(BP exp) ----(MP exp) O=PC(I)(Cl)F -10.6PredN
PC(CI)(Cl)F12529240.381C2H4ClFIP(1-chloro-1-fluoro-2-iodoethyl)phosphaneN106PC(CI)(Cl)FInChI=1S/C2H4ClFIP/c3-2(4,6)1-5/h1,6H2InChIKey=MFVOGVWFWZJMBI-UHFFFAOYSA-N163.0Ex 162.95(BP est) -28.51(MP est) ----(BP exp) ----(MP exp) PC(CI)(Cl)F -28.5PredN
PC(CF)(Cl)I12530240.381C2H4ClFIP(1-chloro-2-fluoro-1-iodoethyl)phosphaneN106PC(CF)(Cl)IInChI=1S/C2H4ClFIP/c3-2(5,6)1-4/h1,6H2InChIKey=ONYYSMHPQJFEDX-UHFFFAOYSA-N163.0Ex 162.95(BP est) -28.51(MP est) ----(BP exp) ----(MP exp) PC(CF)(Cl)I -28.5PredN
PC(Cl)C(F)I12531240.381C2H4ClFIP(1-chloro-2-fluoro-2-iodoethyl)phosphaneN106PC(Cl)C(F)IInChI=1S/C2H4ClFIP/c3-1(6)2(4)5/h1-2H,6H2InChIKey=XNDRQRIGPDEVHJ-UHFFFAOYSA-N170.2Ex 170.17(BP est) -42.61(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(F)I -42.6PredN
PC(CCl)(F)I12532240.381C2H4ClFIP(2-chloro-1-fluoro-1-iodoethyl)phosphaneN106PC(CCl)(F)IInChI=1S/C2H4ClFIP/c3-1-2(4,5)6/h1,6H2InChIKey=CGLJVQQSNXUANN-UHFFFAOYSA-N185.9Ex 185.88(BP est) -21.81(MP est) ----(BP exp) ----(MP exp) PC(CCl)(F)I -21.8PredN
PC(F)C(Cl)I12533240.381C2H4ClFIP(2-chloro-1-fluoro-2-iodoethyl)phosphaneN106PC(F)C(Cl)IInChI=1S/C2H4ClFIP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=DKDUEJQXNRNOIW-UHFFFAOYSA-N170.2Ex 170.17(BP est) -42.61(MP est) ----(BP exp) ----(MP exp) PC(F)C(Cl)I -42.6PredN
PC(I)C(Cl)F12534240.381C2H4ClFIP(2-chloro-2-fluoro-1-iodoethyl)phosphaneN106PC(I)C(Cl)FInChI=1S/C2H4ClFIP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=DGFHQTZZDAJPNB-UHFFFAOYSA-N170.2Ex 170.17(BP est) -42.61(MP est) ----(BP exp) ----(MP exp) PC(I)C(Cl)F -42.6PredN
PCC(I)(Cl)F12535240.381C2H4ClFIP(2-chloro-2-fluoro-2-iodoethyl)phosphaneN106PCC(I)(Cl)FInChI=1S/C2H4ClFIP/c3-2(4,5)1-6/h1,6H2InChIKey=HWGIJRFKQUIXGY-UHFFFAOYSA-N163.0Ex 162.95(BP est) -28.51(MP est) ----(BP exp) ----(MP exp) PCC(I)(Cl)F -28.5PredN
CPC(I)(Cl)F12536240.381C2H4ClFIP(chlorofluoroiodomethyl)(methyl)phosphaneN106CPC(I)(Cl)FInChI=1S/C2H4ClFIP/c1-6-2(3,4)5/h6H,1H3InChIKey=NCONELZMUDGIFL-UHFFFAOYSA-N144.1Ex 144.12(BP est) -42.19(MP est) ----(BP exp) ----(MP exp) CPC(I)(Cl)F -42.2PredN
ICPC(Cl)F12537240.381C2H4ClFIP(chlorofluoromethyl)(iodomethyl)phosphaneN106ICPC(Cl)FInChI=1S/C2H4ClFIP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=MVYUYKZWKIUNNC-UHFFFAOYSA-N164.7Ex 164.70(BP est) -44.89(MP est) ----(BP exp) ----(MP exp) ICPC(Cl)F -44.9PredN
FCPC(Cl)I12538240.381C2H4ClFIP(chloroiodomethyl)(fluoromethyl)phosphaneN106FCPC(Cl)IInChI=1S/C2H4ClFIP/c3-2(5)6-1-4/h2,6H,1H2InChIKey=FZCJGCAGZPTJHL-UHFFFAOYSA-N164.7Ex 164.70(BP est) -44.89(MP est) ----(BP exp) ----(MP exp) FCPC(Cl)I -44.9PredN
ClCPC(F)I12539240.381C2H4ClFIP(chloromethyl)(fluoroiodomethyl)phosphaneN106ClCPC(F)IInChI=1S/C2H4ClFIP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=QJGIUZJSSWSQEP-UHFFFAOYSA-N176.3Ex 176.27(BP est) -41.51(MP est) ----(BP exp) ----(MP exp) ClCPC(F)I -41.5PredN
CSC(Cl)(F)(I)12540240.459C2H3ClFIS(chlorofluoroiodomethyl)(methyl)sulfaneN96CSC(Cl)(F)(I)InChI=1S/C2H3ClFIS/c1-6-2(3,4)5/h1H3InChIKey=HOJXWQKRKJHHCZ-UHFFFAOYSA-N170.1Ex 170.07(BP est) -24.91(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(F)(I) -24.9PredN
C(I)SC(Cl)(F)12541240.459C2H3ClFIS(chlorofluoromethyl)(iodomethyl)sulfaneN96C(I)SC(Cl)(F)InChI=1S/C2H3ClFIS/c3-2(4)6-1-5/h2H,1H2InChIKey=RSXLMOZTHTWZKJ-UHFFFAOYSA-N189.6Ex 189.64(BP est) -27.91(MP est) ----(BP exp) ----(MP exp) C(I)SC(Cl)(F) -27.9PredN
C(F)SC(Cl)(I)12542240.459C2H3ClFIS(chloroiodomethyl)(fluoromethyl)sulfaneN96C(F)SC(Cl)(I)InChI=1S/C2H3ClFIS/c3-2(5)6-1-4/h2H,1H2InChIKey=GZFHULNBAGJZPK-UHFFFAOYSA-N189.6Ex 189.64(BP est) -27.91(MP est) ----(BP exp) ----(MP exp) C(F)SC(Cl)(I) -27.9PredN
C(Cl)SC(F)(I)12543240.459C2H3ClFIS(chloromethyl)(fluoroiodomethyl)sulfaneN96C(Cl)SC(F)(I)InChI=1S/C2H3ClFIS/c3-1-6-2(4)5/h2H,1H2InChIKey=VPAJXDDIYDIDDG-UHFFFAOYSA-N200.6Ex 200.62(BP est) -24.70(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(F)(I) -24.7PredN
SC(Cl)(F)(CI)12544240.459C2H3ClFIS1-chloro-1-fluoro-2-iodoethane-1-thiolN96SC(Cl)(F)(CI)InChI=1S/C2H3ClFIS/c3-2(4,6)1-5/h6H,1H2InChIKey=FESCSUKMOQFFQZ-UHFFFAOYSA-N182.6Ex 182.64(BP est) -20.21(MP est) ----(BP exp) ----(MP exp) SC(Cl)(F)(CI) -20.2PredN
SC(Cl)(I)(CF)12545240.459C2H3ClFIS1-chloro-2-fluoro-1-iodoethane-1-thiolN96SC(Cl)(I)(CF)InChI=1S/C2H3ClFIS/c3-2(5,6)1-4/h6H,1H2InChIKey=HSKPQZMMEHKSNE-UHFFFAOYSA-N182.6Ex 182.64(BP est) -20.21(MP est) ----(BP exp) ----(MP exp) SC(Cl)(I)(CF) -20.2PredN
SC(Cl)(C(F)I)12546240.459C2H3ClFIS1-chloro-2-fluoro-2-iodoethane-1-thiolN96SC(Cl)(C(F)I)InChI=1S/C2H3ClFIS/c3-1(6)2(4)5/h1-2,6HInChIKey=VHCCKIYIIGVDIU-UHFFFAOYSA-N189.6Ex 189.58(BP est) -34.40(MP est) ----(BP exp) ----(MP exp) SC(Cl)(C(F)I) -34.4PredN
SC(F)(I)(CCl)12547240.459C2H3ClFIS2-chloro-1-fluoro-1-iodoethane-1-thiolN96SC(F)(I)(CCl)InChI=1S/C2H3ClFIS/c3-1-2(4,5)6/h6H,1H2InChIKey=SYBRGPYGKQJCNU-UHFFFAOYSA-N204.7Ex 204.65(BP est) -13.79(MP est) ----(BP exp) ----(MP exp) SC(F)(I)(CCl) -13.8PredN
SC(F)(C(Cl)I)12548240.459C2H3ClFIS2-chloro-1-fluoro-2-iodoethane-1-thiolN96SC(F)(C(Cl)I)InChI=1S/C2H3ClFIS/c3-1(5)2(4)6/h1-2,6HInChIKey=XFVMRUUDGOGKEH-UHFFFAOYSA-N189.6Ex 189.58(BP est) -34.40(MP est) ----(BP exp) ----(MP exp) SC(F)(C(Cl)I) -34.4PredN
SC(I)(C(Cl)F)12549240.459C2H3ClFIS2-chloro-2-fluoro-1-iodoethane-1-thiolN96SC(I)(C(Cl)F)InChI=1S/C2H3ClFIS/c3-1(4)2(5)6/h1-2,6HInChIKey=VELACSSWNCTHEL-UHFFFAOYSA-N189.6Ex 189.58(BP est) -34.40(MP est) ----(BP exp) ----(MP exp) SC(I)(C(Cl)F) -34.4PredN
SC(C(Cl)(F)I)12550240.459C2H3ClFIS2-chloro-2-fluoro-2-iodoethane-1-thiolN96SC(C(Cl)(F)I)InChI=1S/C2H3ClFIS/c3-2(4,5)1-6/h6H,1H2InChIKey=WSTRPLLNRRTICS-UHFFFAOYSA-N182.6Ex 182.64(BP est) -20.21(MP est) ----(BP exp) ----(MP exp) SC(C(Cl)(F)I) -20.2PredN
C(Cl)(Cl)=C(F)(I)12551240.825C2Cl2FI1,1-dichloro-2-fluoro-2-iodoetheneN66C(Cl)(Cl)=C(F)(I)InChI=1S/C2Cl2FI/c3-1(4)2(5)6InChIKey=XTKUNGCZKFACJU-UHFFFAOYSA-N155.1Ex 155.12(BP est) -49.23(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)=C(F)(I) -49.2PredN
C(Cl)(I)=C(Cl)(F)12552240.825C2Cl2FI1,2-dichloro-1-fluoro-2-iodoetheneN66C(Cl)(I)=C(Cl)(F)InChI=1S/C2Cl2FI/c3-1(5)2(4)6InChIKey=LXFXEPTVCQNLNN-UHFFFAOYSA-N155.1Ex 155.12(BP est) -49.23(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)=C(Cl)(F) -49.2PredN
C(Cl)OC(Cl)(I)12553240.849C2H3Cl2IOchloro(chloromethoxy)iodomethaneN96C(Cl)OC(Cl)(I)InChI=1S/C2H3Cl2IO/c3-1-6-2(4)5/h2H,1H2InChIKey=XTDMOGDHYQKRJQ-UHFFFAOYSA-N204.7Ex 204.73(BP est) -14.93(MP est) ----(BP exp) ----(MP exp) C(Cl)OC(Cl)(I) -14.9PredN
C(I)OC(Cl)(Cl)12554240.849C2H3Cl2IOdichloro(iodomethoxy)methaneN96C(I)OC(Cl)(Cl)InChI=1S/C2H3Cl2IO/c3-2(4)6-1-5/h2H,1H2InChIKey=CPTYTMGSBMKNGN-UHFFFAOYSA-N193.8Ex 193.84(BP est) -18.10(MP est) ----(BP exp) ----(MP exp) C(I)OC(Cl)(Cl) -18.1PredN
COC(Cl)(Cl)(I)12555240.849C2H3Cl2IOdichloroiodo(methoxy)methaneN96COC(Cl)(Cl)(I)InChI=1S/C2H3Cl2IO/c1-6-2(3,4)5/h1H3InChIKey=PLOTYPMVJIQHQY-UHFFFAOYSA-N162.9Ex 162.87(BP est) -18.44(MP est) ----(BP exp) ----(MP exp) COC(Cl)(Cl)(I) -18.4PredN
NNC(Cl)(Cl)(I)12556240.853CH3Cl2IN2(dichloroiodomethyl)hydrazineN96NNC(Cl)(Cl)(I)InChI=1S/CH3Cl2IN2/c2-1(3,4)6-5/h6H,5H2InChIKey=WDTGMKLHNKYEBI-UHFFFAOYSA-N213.5Ex 213.53(BP est) 35.38(MP est) ----(BP exp) ----(MP exp) NNC(Cl)(Cl)(I) 35.4PredN
NOC(Cl)(I)Cl12557241.837CH2Cl2INOO-(dichloroiodomethyl)hydroxylamineN86NOC(Cl)(I)ClInChI=1S/CH2Cl2INO/c2-1(3,4)6-5/h5H2InChIKey=QBUARWNNUKAOIZ-UHFFFAOYSA-N197.2Ex 197.20(BP est) 27.58(MP est) ----(BP exp) ----(MP exp) NOC(Cl)(I)Cl 27.6PredN
BrC(Cl)(Cl)Br12559242.719CBr2Cl2dibromodichloromethaneN55BrC(Cl)(Cl)BrInChI=1S/CBr2Cl2/c2-1(3,4)5InChIKey=IHUREIPXVFKEDT-UHFFFAOYSA-N150.2Ex 157.28(BP est) -6.05(MP est) 150.20(BP exp) 38.00(MP exp) BrC(Cl)(Cl)Br 38ExptN
PC(I)(Cl)Cl12560242.805CH2Cl2IP(dichloroiodomethyl)phosphaneN75PC(I)(Cl)ClInChI=1S/CH2Cl2IP/c2-1(3,4)5/h5H2InChIKey=GFNUZXAFTWRDCK-UHFFFAOYSA-N173.4Ex 173.40(BP est) -16.43(MP est) ----(BP exp) ----(MP exp) PC(I)(Cl)Cl -16.4PredN
C(I)(C(Cl)(Cl)F)12561242.841C2H2Cl2FI1,1-dichloro-1-fluoro-2-iodoethaneN86C(I)(C(Cl)(Cl)F)InChI=1S/C2H2Cl2FI/c3-2(4,5)1-6/h1H2InChIKey=VDXRENXYLVFUNI-UHFFFAOYSA-N142.2Ex 142.21(BP est) -35.29(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)(Cl)F) -35.3PredN
C(F)(C(Cl)(Cl)I)12562242.841C2H2Cl2FI1,1-dichloro-2-fluoro-1-iodoethaneN86C(F)(C(Cl)(Cl)I)InChI=1S/C2H2Cl2FI/c3-2(4,6)1-5/h1H2InChIKey=WCELMAFWAQZEBI-UHFFFAOYSA-N142.2Ex 142.21(BP est) -35.29(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)(Cl)I) -35.3PredN
C(Cl)(Cl)(C(F)I)12563242.841C2H2Cl2FI1,1-dichloro-2-fluoro-2-iodoethaneN86C(Cl)(Cl)(C(F)I)InChI=1S/C2H2Cl2FI/c3-1(4)2(5)6/h1-2HInChIKey=JKHLOFLRNGAWBU-UHFFFAOYSA-N161.6Ex 161.60(BP est) -45.84(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(F)I) -45.8PredN
C(Cl)(C(Cl)(F)I)12564242.841C2H2Cl2FI1,2-dichloro-1-fluoro-1-iodoethaneN86C(Cl)(C(Cl)(F)I)InChI=1S/C2H2Cl2FI/c3-1-2(4,5)6/h1H2InChIKey=UNQKQGRWLDOTFW-UHFFFAOYSA-N166.1Ex 166.07(BP est) -28.32(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)(F)I) -28.3PredN
C(Cl)(I)(C(Cl)F)12565242.841C2H2Cl2FI1,2-dichloro-1-fluoro-2-iodoethaneN86C(Cl)(I)(C(Cl)F)InChI=1S/C2H2Cl2FI/c3-1(5)2(4)6/h1-2HInChIKey=HBWYVXSWHUTGIC-UHFFFAOYSA-N161.6Ex 161.60(BP est) -45.84(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C(Cl)F) -45.8PredN
SC(Cl)(Cl)(I)12566242.883CHCl2ISdichloroiodomethanethiolN65SC(Cl)(Cl)(I)InChI=1S/CHCl2IS/c2-1(3,4)5/h5HInChIKey=SOORETQQPCDYTB-UHFFFAOYSA-N192.7Ex 192.68(BP est) -8.25(MP est) ----(BP exp) ----(MP exp) SC(Cl)(Cl)(I) -8.3PredN
BrC(C1)=C1I12572244.857C3H2BrI1-bromo-2-iodocycloprop-1-eneN75BrC(C1)=C1IInChI=1S/C3H2BrI/c4-2-1-3(2)5/h1H2InChIKey=AWBGQRSZYWGFAW-UHFFFAOYSA-N193.0Ex 193.04(BP est) 7.65(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1I 7.7PredN
BrC1=CC1I12573244.857C3H2BrI1-bromo-3-iodocycloprop-1-eneN75BrC1=CC1IInChI=1S/C3H2BrI/c4-2-1-3(2)5/h1,3HInChIKey=KQEGGYFKOBCRBZ-UHFFFAOYSA-N188.9Ex 188.90(BP est) -1.94(MP est) ----(BP exp) ----(MP exp) BrC1=CC1I -1.9PredN
C(I)(C#CBr)12574244.857C3H2BrI1-bromo-3-iodoprop-1-yneN75C(I)(C#CBr)InChI=1S/C3H2BrI/c4-2-1-3-5/h3H2InChIKey=AEJSGXYRDGMUGB-UHFFFAOYSA-N199.2Ex 199.16(BP est) 26.54(MP est) ----(BP exp) ----(MP exp) C(I)(C#CBr) 26.5PredN
IC1=CC1Br12575244.857C3H2BrI3-bromo-1-iodocycloprop-1-eneN75IC1=CC1BrInChI=1S/C3H2BrI/c4-2-1-3(2)5/h1-2HInChIKey=VEVHSAYTTHJVFH-UHFFFAOYSA-N188.9Ex 188.90(BP est) -1.94(MP est) ----(BP exp) ----(MP exp) IC1=CC1Br -1.9PredN
C(Br)(C#CI)12576244.857C3H2BrI3-bromo-1-iodoprop-1-yneN75C(Br)(C#CI)InChI=1S/C3H2BrI/c4-2-1-3-5/h2H2InChIKey=JGCCLOGJTCAPHK-UHFFFAOYSA-N199.2Ex 199.16(BP est) 26.54(MP est) ----(BP exp) ----(MP exp) C(Br)(C#CI) 26.5PredN
BrC1(I)C=C112577244.857C3H2BrI3-bromo-3-iodocycloprop-1-eneN75BrC1(I)C=C1InChI=1S/C3H2BrI/c4-3(5)1-2-3/h1-2HInChIKey=NZYOJCDIYJSFAF-UHFFFAOYSA-N179.8Ex 179.79(BP est) 1.09(MP est) ----(BP exp) ----(MP exp) BrC1(I)C=C1 1.1PredN
C(Br)(I)(C#C)12578244.857C3H2BrI3-bromo-3-iodoprop-1-yneN75C(Br)(I)(C#C)InChI=1S/C3H2BrI/c1-2-3(4)5/h1,3HInChIKey=LMDMXQRJQXZTQR-UHFFFAOYSA-N179.3Ex 179.26(BP est) -4.38(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C#C) -4.4PredN
ClC(Cl)(I)Cl12579245.265CCl3ItrichloroiodomethaneN55ClC(Cl)(I)ClInChI=1S/CCl3I/c2-1(3,4)5InChIKey=SFLKZLQXODICBP-UHFFFAOYSA-N131.0Ex 153.08(BP est) -23.08(MP est) 142.00(BP exp) -7.80(MP exp) ClC(Cl)(I)Cl -7.8ExptN
BrC(N1)=C1I12581245.845C2HBrIN2-bromo-3-iodo-1H-azirineN65BrC(N1)=C1IInChI=1S/C2HBrIN/c3-1-2(4)5-1/h5HInChIKey=NMRDVQKBGPHGAF-UHFFFAOYSA-N224.5Ex 224.48(BP est) 40.56(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1I 40.6PredN
BrC(O1)=C1I12582246.829C2BrIO2-bromo-3-iodooxireneN55BrC(O1)=C1IInChI=1S/C2BrIO/c3-1-2(4)5-1InChIKey=COKAFSLPWGIGID-UHFFFAOYSA-N198.5Ex 198.47(BP est) 16.89(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1I 16.9PredN
C(C1)(C1(Br)I)12583246.873C3H4BrI1-bromo-1-iodocyclopropaneN95C(C1)(C1(Br)I)InChI=1S/C3H4BrI/c4-3(5)1-2-3/h1-2H2InChIKey=VRZQVGWRXCWTPF-UHFFFAOYSA-N177.1Ex 177.05(BP est) -0.09(MP est) ----(BP exp) ----(MP exp) C(C1)(C1(Br)I) -0.1PredN
C(C=C(Br)I)12584246.873C3H4BrI1-bromo-1-iodoprop-1-eneN95C(C=C(Br)I)InChI=1S/C3H4BrI/c1-2-3(4)5/h2H,1H3InChIKey=PDVQYTQIAZYHRW-UHFFFAOYSA-N185.2Ex 185.20(BP est) -28.15(MP est) ----(BP exp) ----(MP exp) C(C=C(Br)I) -28.2PredN
C(C1Br)(C1I)12585246.873C3H4BrI1-bromo-2-iodocyclopropaneN95C(C1Br)(C1I)InChI=1S/C3H4BrI/c4-2-1-3(2)5/h2-3H,1H2InChIKey=VPKOPYFCJUBVCA-UHFFFAOYSA-N182.0Ex 182.00(BP est) -12.71(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1I) -12.7PredN
C(C(I)=CBr)12586246.873C3H4BrI1-bromo-2-iodoprop-1-eneN95C(C(I)=CBr)InChI=1S/C3H4BrI/c1-3(5)2-4/h2H,1H3InChIKey=DMEZHTHSXAFEML-UHFFFAOYSA-N185.2Ex 185.20(BP est) -28.15(MP est) ----(BP exp) ----(MP exp) C(C(I)=CBr) -28.2PredN
C(I)(C=CBr)12587246.873C3H4BrI1-bromo-3-iodoprop-1-eneN95C(I)(C=CBr)InChI=1S/C3H4BrI/c4-2-1-3-5/h1-2H,3H2InChIKey=ARDKBXUVCJOLBO-UHFFFAOYSA-N190.8Ex 190.78(BP est) -19.54(MP est) ----(BP exp) ----(MP exp) C(I)(C=CBr) -19.5PredN
C(C(Br)=CI)12588246.873C3H4BrI2-bromo-1-iodoprop-1-eneN95C(C(Br)=CI)InChI=1S/C3H4BrI/c1-3(4)2-5/h2H,1H3InChIKey=NYUJTRJWXVXFCR-UHFFFAOYSA-N185.2Ex 185.20(BP est) -28.15(MP est) ----(BP exp) ----(MP exp) C(C(Br)=CI) -28.2PredN
C(I)(C(Br)=C)12589246.873C3H4BrI2-bromo-3-iodoprop-1-eneN95C(I)(C(Br)=C)InChI=1S/C3H4BrI/c1-3(4)2-5/h1-2H2InChIKey=QFTBPDJMDCDXSK-UHFFFAOYSA-N177.3Ex 177.26(BP est) -28.81(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)=C) -28.8PredN
C(Br)(C=CI)12590246.873C3H4BrI3-bromo-1-iodoprop-1-eneN95C(Br)(C=CI)InChI=1S/C3H4BrI/c4-2-1-3-5/h1,3H,2H2InChIKey=NLKJYDMEZIZSKI-UHFFFAOYSA-N190.8Ex 190.78(BP est) -19.54(MP est) ----(BP exp) ----(MP exp) C(Br)(C=CI) -19.5PredN
C(Br)(C(I)=C)12591246.873C3H4BrI3-bromo-2-iodoprop-1-eneN95C(Br)(C(I)=C)InChI=1S/C3H4BrI/c1-3(5)2-4/h1-2H2InChIKey=DNYSHIRLGOXFQL-UHFFFAOYSA-N177.3Ex 177.26(BP est) -28.81(MP est) ----(BP exp) ----(MP exp) C(Br)(C(I)=C) -28.8PredN
C(Br)(I)(C=C)12592246.873C3H4BrI3-bromo-3-iodoprop-1-eneN95C(Br)(I)(C=C)InChI=1S/C3H4BrI/c1-2-3(4)5/h2-3H,1H2InChIKey=BMGSJHWVBDONTM-UHFFFAOYSA-N170.3Ex 170.31(BP est) -31.35(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C=C) -31.4PredN
BrC1(I)CN112593247.861C2H3BrIN2-bromo-2-iodoaziridineN85BrC1(I)CN1InChI=1S/C2H3BrIN/c3-2(4)1-5-2/h5H,1H2InChIKey=RSMKTFDTZPRWJI-UHFFFAOYSA-N209.6Ex 209.63(BP est) 32.52(MP est) ----(BP exp) ----(MP exp) BrC1(I)CN1 32.5PredN
BrC1C(I)N112594247.861C2H3BrIN2-bromo-3-iodoaziridineN85BrC1C(I)N1InChI=1S/C2H3BrIN/c3-1-2(4)5-1/h1-2,5HInChIKey=YKNHACDGXWXLFO-UHFFFAOYSA-N214.2Ex 214.23(BP est) 32.86(MP est) ----(BP exp) ----(MP exp) BrC1C(I)N1 32.9PredN
C(=O)C(Br)(I)12597248.845C2H2BrIO2-bromo-2-iodoacetaldehydeN75C(=O)C(Br)(I)InChI=1S/C2H2BrIO/c3-2(4)1-5/h1-2HInChIKey=UDAOZODXEKTHQL-UHFFFAOYSA-N203.3Ex 203.29(BP est) -5.48(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(I) -5.5PredN
BrC1(I)CO112598248.845C2H2BrIO2-bromo-2-iodooxiraneN75BrC1(I)CO1InChI=1S/C2H2BrIO/c3-2(4)1-5-2/h1H2InChIKey=IISRDNSADHKKHJ-UHFFFAOYSA-N182.7Ex 182.67(BP est) 9.20(MP est) ----(BP exp) ----(MP exp) BrC1(I)CO1 9.2PredN
BrC1C(I)O112599248.845C2H2BrIO2-bromo-3-iodooxiraneN75BrC1C(I)O1InChI=1S/C2H2BrIO/c3-1-2(4)5-1/h1-2HInChIKey=JJTJOMJOXKWBQC-UHFFFAOYSA-N187.6Ex 187.56(BP est) -3.44(MP est) ----(BP exp) ----(MP exp) BrC1C(I)O1 -3.4PredN
C(CC(Br)I)12600248.889C3H6BrI1-bromo-1-iodopropaneN115C(CC(Br)I)InChI=1S/C3H6BrI/c1-2-3(4)5/h3H,2H2,1H3InChIKey=PIZWBVKNEHVJCH-UHFFFAOYSA-N171.9Ex 171.89(BP est) -30.01(MP est) ----(BP exp) ----(MP exp) C(CC(Br)I) -30PredN
C(C(I)CBr)12601248.889C3H6BrI1-bromo-2-iodopropaneN115C(C(I)CBr)InChI=1S/C3H6BrI/c1-3(5)2-4/h3H,2H2,1H3InChIKey=LKVPLELRULCBKF-UHFFFAOYSA-N171.9Ex 171.89(BP est) -30.01(MP est) ----(BP exp) ----(MP exp) C(C(I)CBr) -30PredN
C(Br)(CCI)12602248.889C3H6BrI1-bromo-3-iodopropaneN115C(Br)(CCI)InChI=1S/C3H6BrI/c4-2-1-3-5/h1-3H2InChIKey=ITCHTIHSVATQQI-UHFFFAOYSA-N184.5Ex 184.48(BP est) -18.84(MP est) ----(BP exp) ----(MP exp) C(Br)(CCI) -18.8PredN
C(C(Br)CI)12603248.889C3H6BrI2-bromo-1-iodopropaneN115C(C(Br)CI)InChI=1S/C3H6BrI/c1-3(4)2-5/h3H,2H2,1H3InChIKey=QEBGRPQAKNUHIS-UHFFFAOYSA-N171.9Ex 171.89(BP est) -30.01(MP est) ----(BP exp) ----(MP exp) C(C(Br)CI) -30PredN
C(C(Br)(I)C)12604248.889C3H6BrI2-bromo-2-iodopropaneN115C(C(Br)(I)C)InChI=1S/C3H6BrI/c1-3(2,4)5/h1-2H3InChIKey=SLNGDNGNNWWNDK-UHFFFAOYSA-N163.4Ex 163.44(BP est) -23.77(MP est) ----(BP exp) ----(MP exp) C(C(Br)(I)C) -23.8PredN
NC(Br)(I)(C)12605249.877C2H5BrIN1-bromo-1-iodoethan-1-amineN105NC(Br)(I)(C)InChI=1S/C2H5BrIN/c1-2(3,4)5/h5H2,1H3InChIKey=PHVPBHTVIBWEFB-UHFFFAOYSA-N197.7Ex 197.72(BP est) 22.23(MP est) ----(BP exp) ----(MP exp) NC(Br)(I)(C) 22.2PredN
CNC(Br)(I)12606249.877C2H5BrIN1-bromo-1-iodo-N-methylmethanamineN105CNC(Br)(I)InChI=1S/C2H5BrIN/c1-5-2(3)4/h2,5H,1H3InChIKey=FHNBBXYUSIAPFQ-UHFFFAOYSA-N189.9Ex 189.94(BP est) -4.05(MP est) ----(BP exp) ----(MP exp) CNC(Br)(I) -4.1PredN
NC(Br)(CI)12607249.877C2H5BrIN1-bromo-2-iodoethan-1-amineN105NC(Br)(CI)InChI=1S/C2H5BrIN/c3-2(5)1-4/h2H,1,5H2InChIKey=HRFDFHBIDJQFLB-UHFFFAOYSA-N205.6Ex 205.59(BP est) 15.82(MP est) ----(BP exp) ----(MP exp) NC(Br)(CI) 15.8PredN
C(Br)NC(I)12608249.877C2H5BrIN1-bromo-N-(iodomethyl)methanamineN105C(Br)NC(I)InChI=1S/C2H5BrIN/c3-1-5-2-4/h5H,1-2H2InChIKey=RMYNOYANICLUFK-UHFFFAOYSA-N202.1Ex 202.05(BP est) 6.99(MP est) ----(BP exp) ----(MP exp) C(Br)NC(I) 7PredN
NC(I)(CBr)12609249.877C2H5BrIN2-bromo-1-iodoethan-1-amineN105NC(I)(CBr)InChI=1S/C2H5BrIN/c3-1-2(4)5/h2H,1,5H2InChIKey=YWKPZDDTXRTTPM-UHFFFAOYSA-N205.6Ex 205.59(BP est) 15.82(MP est) ----(BP exp) ----(MP exp) NC(I)(CBr) 15.8PredN
NC(C(Br)I)12610249.877C2H5BrIN2-bromo-2-iodoethan-1-amineN105NC(C(Br)I)InChI=1S/C2H5BrIN/c3-2(4)1-5/h2H,1,5H2InChIKey=ASXQKWJDQPZDDC-UHFFFAOYSA-N205.6Ex 205.59(BP est) 15.82(MP est) ----(BP exp) ----(MP exp) NC(C(Br)I) 15.8PredN
C(I)=C(Br)(F)12612250.837C2HBrFI1-bromo-1-fluoro-2-iodoetheneN65C(I)=C(Br)(F)InChI=1S/C2HBrFI/c3-2(4)1-5/h1HInChIKey=WBSFUWAWVXAVJD-UHFFFAOYSA-N166.3Ex 166.27(BP est) -39.01(MP est) ----(BP exp) ----(MP exp) C(I)=C(Br)(F) -39PredN
C(F)=C(Br)(I)12613250.837C2HBrFI1-bromo-2-fluoro-1-iodoetheneN65C(F)=C(Br)(I)InChI=1S/C2HBrFI/c3-2(5)1-4/h1HInChIKey=OMBAZUPPQJVMJD-UHFFFAOYSA-N166.3Ex 166.27(BP est) -39.01(MP est) ----(BP exp) ----(MP exp) C(F)=C(Br)(I) -39PredN
C(Br)=C(F)(I)12614250.837C2HBrFI2-bromo-1-fluoro-1-iodoetheneN65C(Br)=C(F)(I)InChI=1S/C2HBrFI/c3-1-2(4)5/h1HInChIKey=OSYDRJSKJYKGPQ-UHFFFAOYSA-N166.3Ex 166.27(BP est) -39.01(MP est) ----(BP exp) ----(MP exp) C(Br)=C(F)(I) -39PredN
C(Br)OC(I)12615250.861C2H4BrIObromo(iodomethoxy)methaneN95C(Br)OC(I)InChI=1S/C2H4BrIO/c3-1-5-2-4/h1-2H2InChIKey=AITLHRWVFSJHPF-UHFFFAOYSA-N185.3Ex 185.27(BP est) -13.12(MP est) ----(BP exp) ----(MP exp) C(Br)OC(I) -13.1PredN
COC(Br)(I)12616250.861C2H4BrIObromoiodo(methoxy)methaneN95COC(Br)(I)InChI=1S/C2H4BrIO/c1-5-2(3)4/h2H,1H3InChIKey=HXUMKTYHVQKIRW-UHFFFAOYSA-N172.7Ex 172.71(BP est) -24.29(MP est) ----(BP exp) ----(MP exp) COC(Br)(I) -24.3PredN
NNC(Br)(I)12617250.865CH4BrIN2(bromoiodomethyl)hydrazineN95NNC(Br)(I)InChI=1S/CH4BrIN2/c2-1(3)5-4/h1,5H,4H2InChIKey=YMXUYYUUBVULOW-UHFFFAOYSA-N222.3Ex 222.34(BP est) 32.99(MP est) ----(BP exp) ----(MP exp) NNC(Br)(I) 33PredN
NOC(I)Br12619251.849CH3BrINOO-(bromoiodomethyl)hydroxylamineN85NOC(I)BrInChI=1S/CH3BrINO/c2-1(3)5-4/h1H,4H2InChIKey=NJZLAIIMMZDATM-UHFFFAOYSA-N206.4Ex 206.35(BP est) 21.52(MP est) ----(BP exp) ----(MP exp) NOC(I)Br 21.5PredN
PC(Br)=C(Br)Cl12621252.27C2H2Br2ClP(1,2-dibromo-2-chlorovinyl)phosphaneN86PC(Br)=C(Br)ClInChI=1S/C2H2Br2ClP/c3-1(5)2(4)6/h6H2InChIKey=LBLLLSLJGMZSEY-UHFFFAOYSA-N211.2Ex 211.15(BP est) -1.67(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(Br)Cl -1.7PredN
PC(Cl)=C(Br)Br12622252.27C2H2Br2ClP(2,2-dibromo-1-chlorovinyl)phosphaneN86PC(Cl)=C(Br)BrInChI=1S/C2H2Br2ClP/c3-1(4)2(5)6/h6H2InChIKey=QPVOXNSENFRDTJ-UHFFFAOYSA-N211.2Ex 211.15(BP est) -1.67(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(Br)Br -1.7PredN
ClC1C(Br)(Br)P112623252.27C2H2Br2ClP2,2-dibromo-3-chlorophosphiraneN86ClC1C(Br)(Br)P1InChI=1S/C2H2Br2ClP/c3-2(4)1(5)6-2/h1,6HInChIKey=NUDVBMTVFLCFGT-UHFFFAOYSA-N196.8Ex 196.80(BP est) 23.01(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Br)P1 23PredN
BrC1C(Cl)(Br)P112624252.27C2H2Br2ClP2,3-dibromo-2-chlorophosphiraneN86BrC1C(Cl)(Br)P1InChI=1S/C2H2Br2ClP/c3-1-2(4,5)6-1/h1,6HInChIKey=KRJYQZUAEDVEGI-UHFFFAOYSA-N185.8Ex 185.75(BP est) 19.79(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(Br)P1 19.8PredN
ClC1C(Br)(Br)S112626252.348C2HBr2ClS2,2-dibromo-3-chlorothiiraneN76ClC1C(Br)(Br)S1InChI=1S/C2HBr2ClS/c3-2(4)1(5)6-2/h1HInChIKey=BHXBFUSCLOBONB-UHFFFAOYSA-N219.7Ex 219.74(BP est) 36.91(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Br)S1 36.9PredN
BrC1C(Br)(Cl)S112627252.348C2HBr2ClS2,3-dibromo-2-chlorothiiraneN76BrC1C(Br)(Cl)S1InChI=1S/C2HBr2ClS/c3-1-2(4,5)6-1/h1HInChIKey=NLSUZPUCEGEPIY-UHFFFAOYSA-N209.3Ex 209.27(BP est) 32.33(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(Cl)S1 32.3PredN
BrC(Br)Br12628252.731CHBr3bromoformN54BrC(Br)BrInChI=1S/CHBr3/c2-1(3)4/h1HInChIKey=DIKBFYAXUHHXCS-UHFFFAOYSA-N148.9Ex 167.23(BP est) -11.87(MP est) 149.10(BP exp) 8.00(MP exp) BrC(Br)Br 8ExptY(Kladi et al. 2004)
PC(Br)I12629252.817CH3BrIP(bromoiodomethyl)phosphaneN74PC(Br)IInChI=1S/CH3BrIP/c2-1(3)4/h1H,4H2InChIKey=HAMHOJFHITYRMI-UHFFFAOYSA-N183.0Ex 183.04(BP est) -22.34(MP est) ----(BP exp) ----(MP exp) PC(Br)I -22.3PredN
C(C(Br)(F)I)12630252.853C2H3BrFI1-bromo-1-fluoro-1-iodoethaneN85C(C(Br)(F)I)InChI=1S/C2H3BrFI/c1-2(3,4)5/h1H3InChIKey=XSWWEODLSGERQO-UHFFFAOYSA-N143.7Ex 143.67(BP est) -34.88(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)I) -34.9PredN
C(I)(C(Br)F)12631252.853C2H3BrFI1-bromo-1-fluoro-2-iodoethaneN85C(I)(C(Br)F)InChI=1S/C2H3BrFI/c3-2(4)1-5/h2H,1H2InChIKey=KUCYTFNRNXWBMD-UHFFFAOYSA-N152.4Ex 152.44(BP est) -41.03(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)F) -41PredN
C(F)(C(Br)I)12632252.853C2H3BrFI1-bromo-2-fluoro-1-iodoethaneN85C(F)(C(Br)I)InChI=1S/C2H3BrFI/c3-2(5)1-4/h2H,1H2InChIKey=CSDNEDXUJDSNHM-UHFFFAOYSA-N152.4Ex 152.44(BP est) -41.03(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)I) -41PredN
C(Br)(C(F)I)12633252.853C2H3BrFI2-bromo-1-fluoro-1-iodoethaneN85C(Br)(C(F)I)InChI=1S/C2H3BrFI/c3-1-2(4)5/h2H,1H2InChIKey=JATYZZCNEHBCJV-UHFFFAOYSA-N152.4Ex 152.44(BP est) -41.03(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)I) -41PredN
SC(Br)(I)12634252.895CH2BrISbromoiodomethanethiolN64SC(Br)(I)InChI=1S/CH2BrIS/c2-1(3)4/h1,4HInChIKey=UPOAMBWOMQOMCC-UHFFFAOYSA-N201.9Ex 201.93(BP est) -14.28(MP est) ----(BP exp) ----(MP exp) SC(Br)(I) -14.3PredN
NC(Br)(F)(I)12637253.841CH2BrFINbromofluoroiodomethanamineN75NC(Br)(F)(I)InChI=1S/CH2BrFIN/c2-1(3,4)5/h5H2InChIKey=CCYSGNWPLIOHHF-UHFFFAOYSA-N179.3Ex 179.30(BP est) 11.52(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(I) 11.5PredN
O=PC(Cl)(Br)Br12639254.242CBr2ClOP(dibromochloromethyl)(oxo)phosphaneN66O=PC(Cl)(Br)BrInChI=1S/CBr2ClOP/c2-1(3,4)6-5InChIKey=QWZOCNKPMISIBK-UHFFFAOYSA-N217.2Ex 217.20(BP est) 29.67(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)(Br)Br 29.7PredN
PC(CCl)(Br)Br12640254.286C2H4Br2ClP(1,1-dibromo-2-chloroethyl)phosphaneN106PC(CCl)(Br)BrInChI=1S/C2H4Br2ClP/c3-2(4,6)1-5/h1,6H2InChIKey=YWNGPBFRTHDNIB-UHFFFAOYSA-N219.2Ex 219.17(BP est) 18.38(MP est) ----(BP exp) ----(MP exp) PC(CCl)(Br)Br 18.4PredN
PC(CBr)(Br)Cl12641254.286C2H4Br2ClP(1,2-dibromo-1-chloroethyl)phosphaneN106PC(CBr)(Br)ClInChI=1S/C2H4Br2ClP/c3-1-2(4,5)6/h1,6H2InChIKey=FEJHVTMJXKPNDY-UHFFFAOYSA-N197.9Ex 197.90(BP est) 12.17(MP est) ----(BP exp) ----(MP exp) PC(CBr)(Br)Cl 12.2PredN
PC(Br)C(Br)Cl12642254.286C2H4Br2ClP(1,2-dibromo-2-chloroethyl)phosphaneN106PC(Br)C(Br)ClInChI=1S/C2H4Br2ClP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=YKIOJYPRFNEVFG-UHFFFAOYSA-N204.6Ex 204.60(BP est) -2.08(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Br)Cl -2.1PredN
PC(Cl)C(Br)Br12643254.286C2H4Br2ClP(2,2-dibromo-1-chloroethyl)phosphaneN106PC(Cl)C(Br)BrInChI=1S/C2H4Br2ClP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=QBZDGNSULMALLL-UHFFFAOYSA-N204.6Ex 204.60(BP est) -2.08(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(Br)Br -2.1PredN
PCC(Cl)(Br)Br12644254.286C2H4Br2ClP(2,2-dibromo-2-chloroethyl)phosphaneN106PCC(Cl)(Br)BrInChI=1S/C2H4Br2ClP/c3-2(4,5)1-6/h1,6H2InChIKey=CXZMMNZAZONUIK-UHFFFAOYSA-N197.9Ex 197.90(BP est) 12.17(MP est) ----(BP exp) ----(MP exp) PCC(Cl)(Br)Br 12.2PredN
BrCPC(Br)Cl12645254.286C2H4Br2ClP(bromochloromethyl)(bromomethyl)phosphaneN106BrCPC(Br)ClInChI=1S/C2H4Br2ClP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=RRQIAJKVTROKOI-UHFFFAOYSA-N199.5Ex 199.52(BP est) -4.25(MP est) ----(BP exp) ----(MP exp) BrCPC(Br)Cl -4.3PredN
ClCPC(Br)Br12646254.286C2H4Br2ClP(chloromethyl)(dibromomethyl)phosphaneN106ClCPC(Br)BrInChI=1S/C2H4Br2ClP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=QQJMKJYYHLVWNY-UHFFFAOYSA-N210.3Ex 210.27(BP est) -1.11(MP est) ----(BP exp) ----(MP exp) ClCPC(Br)Br -1.1PredN
CPC(Cl)(Br)Br12647254.286C2H4Br2ClP(dibromochloromethyl)(methyl)phosphaneN106CPC(Cl)(Br)BrInChI=1S/C2H4Br2ClP/c1-6-2(3,4)5/h6H,1H3InChIKey=MXFTZFHRMMHNED-UHFFFAOYSA-N180.4Ex 180.37(BP est) -1.13(MP est) ----(BP exp) ----(MP exp) CPC(Cl)(Br)Br -1.1PredN
C(Br)SC(Br)(Cl)12648254.364C2H3Br2ClS(bromochloromethyl)(bromomethyl)sulfaneN96C(Br)SC(Br)(Cl)InChI=1S/C2H3Br2ClS/c3-1-6-2(4)5/h2H,1H2InChIKey=BSNWEAYLEIIMDQ-UHFFFAOYSA-N222.7Ex 222.65(BP est) 12.20(MP est) ----(BP exp) ----(MP exp) C(Br)SC(Br)(Cl) 12.2PredN
C(Cl)SC(Br)(Br)12649254.364C2H3Br2ClS(chloromethyl)(dibromomethyl)sulfaneN96C(Cl)SC(Br)(Br)InChI=1S/C2H3Br2ClS/c3-2(4)6-1-5/h2H,1H2InChIKey=NRXBJYMAZUWAFH-UHFFFAOYSA-N232.8Ex 232.81(BP est) 15.17(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Br)(Br) 15.2PredN
CSC(Br)(Br)(Cl)12650254.364C2H3Br2ClS(dibromochloromethyl)(methyl)sulfaneN96CSC(Br)(Br)(Cl)InChI=1S/C2H3Br2ClS/c1-6-2(3,4)5/h1H3InChIKey=CNQHTKCDRNXYQN-UHFFFAOYSA-N204.5Ex 204.51(BP est) 15.62(MP est) ----(BP exp) ----(MP exp) CSC(Br)(Br)(Cl) 15.6PredN
C(Cl)(Cl)=C(Br)(Br)12651254.73C2Br2Cl21,1-dibromo-2,2-dichloroetheneN66C(Cl)(Cl)=C(Br)(Br)InChI=1S/C2Br2Cl2/c3-1(4)2(5)6InChIKey=KMIZRKBFFQIMJX-UHFFFAOYSA-N190.6Ex 190.62(BP est) -8.39(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)=C(Br)(Br) -8.4PredN
C(Br)(Cl)=C(Br)(Cl)12652254.73C2Br2Cl21,2-dibromo-1,2-dichloroetheneN66C(Br)(Cl)=C(Br)(Cl)InChI=1S/C2Br2Cl2/c3-1(5)2(4)6InChIKey=SMPHFZZWDAMYFK-UHFFFAOYSA-N190.6Ex 190.62(BP est) -8.39(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)=C(Br)(Cl) -8.4PredN
PC(Cl)=C(Cl)I12653254.816C2H2Cl2IP(1,2-dichloro-2-iodovinyl)phosphaneN86PC(Cl)=C(Cl)IInChI=1S/C2H2Cl2IP/c3-1(5)2(4)6/h6H2InChIKey=GWQWDCQHDVVKTL-UHFFFAOYSA-N205.7Ex 205.66(BP est) -19.08(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(Cl)I -19.1PredN
PC(I)=C(Cl)Cl12654254.816C2H2Cl2IP(2,2-dichloro-1-iodovinyl)phosphaneN86PC(I)=C(Cl)ClInChI=1S/C2H2Cl2IP/c3-1(4)2(5)6/h6H2InChIKey=QEFCOTPPAJJLKQ-UHFFFAOYSA-N205.7Ex 205.66(BP est) -19.08(MP est) ----(BP exp) ----(MP exp) PC(I)=C(Cl)Cl -19.1PredN
IC1C(Cl)(Cl)P112655254.816C2H2Cl2IP2,2-dichloro-3-iodophosphiraneN86IC1C(Cl)(Cl)P1InChI=1S/C2H2Cl2IP/c3-2(4)1(5)6-2/h1,6HInChIKey=DVMUTLOLUNAVTD-UHFFFAOYSA-N181.8Ex 181.78(BP est) 2.82(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(Cl)P1 2.8PredN
ClC1C(I)(Cl)P112656254.816C2H2Cl2IP2,3-dichloro-2-iodophosphiraneN86ClC1C(I)(Cl)P1InChI=1S/C2H2Cl2IP/c3-1-2(4,5)6-1/h1,6HInChIKey=YKDJIONVEQMPOP-UHFFFAOYSA-N192.9Ex 192.92(BP est) 6.07(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(Cl)P1 6.1PredN
OC(Br)(F)(I)12657254.825CHBrFIObromofluoroiodomethanolN65OC(Br)(F)(I)InChI=1S/CHBrFIO/c2-1(3,4)5/h5HInChIKey=NLDRZIKYZKJFCL-UHFFFAOYSA-N185.6Ex 185.57(BP est) 2.13(MP est) ----(BP exp) ----(MP exp) OC(Br)(F)(I) 2.1PredN
C(Br)#C(C#CI)12658254.852C4BrI1-bromo-4-iodobuta-1,3-diyneN66C(Br)#C(C#CI)InChI=1S/C4BrI/c5-3-1-2-4-6InChIKey=BNNXQSGXUVBADH-UHFFFAOYSA-N232.2Ex 232.21(BP est) 64.38(MP est) ----(BP exp) ----(MP exp) C(Br)#C(C#CI) 64.4PredN
IC1C(Cl)(Cl)S112659254.894C2HCl2IS2,2-dichloro-3-iodothiiraneN76IC1C(Cl)(Cl)S1InChI=1S/C2HCl2IS/c3-2(4)1(5)6-2/h1HInChIKey=LRMUOTXHRPFOLZ-UHFFFAOYSA-N205.5Ex 205.51(BP est) 28.25(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(Cl)S1 28.3PredN
ClC1C(Cl)(I)S112660254.894C2HCl2IS2,3-dichloro-2-iodothiiraneN76ClC1C(Cl)(I)S1InChI=1S/C2HCl2IS/c3-1-2(4,5)6-1/h1HInChIKey=DCEYXHXBQBVDJA-UHFFFAOYSA-N216.1Ex 216.07(BP est) 32.36(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(I)S1 32.4PredN
C(Br)(Cl)(I)12661255.277CHBrClIbromochloroiodomethaneN54C(Br)(Cl)(I)InChI=1S/CHBrClI/c2-1(3)4/h1HInChIKey=WUHPSARYLVYQOT-UHFFFAOYSA-N174.7Ex 174.69(BP est) -25.51(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(I) -25.5PredY(Gribble 2003)
C(Cl)(C(Br)(Br)Cl)12665256.746C2H2Br2Cl21,1-dibromo-1,2-dichloroethaneN86C(Cl)(C(Br)(Br)Cl)InChI=1S/C2H2Br2Cl2/c3-2(4,6)1-5/h1H2InChIKey=JWFDXKOVBQLBBL-UHFFFAOYSA-N200.8Ex 200.80(BP est) 12.29(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)(Br)Cl) 12.3PredN
C(Cl)(Cl)(C(Br)Br)12666256.746C2H2Br2Cl21,1-dibromo-2,2-dichloroethaneN86C(Cl)(Cl)(C(Br)Br)InChI=1S/C2H2Br2Cl2/c3-1(4)2(5)6/h1-2HInChIKey=CPXZPNOXVRUBHI-UHFFFAOYSA-N196.6Ex 196.64(BP est) -5.13(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(Br)Br) -5.1PredN
C(Br)(C(Br)(Cl)Cl)12667256.746C2H2Br2Cl21,2-dibromo-1,1-dichloroethaneN86C(Br)(C(Br)(Cl)Cl)InChI=1S/C2H2Br2Cl2/c3-1-2(4,5)6/h1H2InChIKey=FIYBYNHDEOSJPL-UHFFFAOYSA-N195.0Ex 178.60(BP est) 5.81(MP est) 195.00(BP exp) -26.00(MP exp) C(Br)(C(Br)(Cl)Cl) -26ExptN
C(Br)(Cl)(C(Br)Cl)12668256.746C2H2Br2Cl21,2-dibromo-1,2-dichloroethaneN86C(Br)(Cl)(C(Br)Cl)InChI=1S/C2H2Br2Cl2/c3-1(5)2(4)6/h1-2HInChIKey=RJMDFMUPJANPGX-UHFFFAOYSA-N193.5Ex 196.64(BP est) -5.13(MP est) 195.00(BP exp) -26.00(MP exp) C(Br)(Cl)(C(Br)Cl) -26ExptN
O=PC(I)(Cl)Cl12669256.788CCl2IOP(dichloroiodomethyl)(oxo)phosphaneN66O=PC(I)(Cl)ClInChI=1S/CCl2IOP/c2-1(3,4)6-5InChIKey=QTYYOVDTHQOOBZ-UHFFFAOYSA-N213.5Ex 213.51(BP est) 12.78(MP est) ----(BP exp) ----(MP exp) O=PC(I)(Cl)Cl 12.8PredN
C(Br)(F)(F)(I)12670256.816CBrF2IbromodifluoroiodomethaneN55C(Br)(F)(F)(I)InChI=1S/CBrF2I/c2-1(3,4)5InChIKey=CKZUZARCDKMQIT-UHFFFAOYSA-N123.2Ex 123.16(BP est) -46.21(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(F)(I) -46.2PredN
PC(CI)(Cl)Cl12671256.832C2H4Cl2IP(1,1-dichloro-2-iodoethyl)phosphaneN106PC(CI)(Cl)ClInChI=1S/C2H4Cl2IP/c3-2(4,6)1-5/h1,6H2InChIKey=UWQGOHHLSKYXCA-UHFFFAOYSA-N194.0Ex 194.03(BP est) -4.77(MP est) ----(BP exp) ----(MP exp) PC(CI)(Cl)Cl -4.8PredN
PC(CCl)(Cl)I12672256.832C2H4Cl2IP(1,2-dichloro-1-iodoethyl)phosphaneN106PC(CCl)(Cl)IInChI=1S/C2H4Cl2IP/c3-1-2(4,5)6/h1,6H2InChIKey=RWXGMGHGHXXFEO-UHFFFAOYSA-N215.5Ex 215.49(BP est) 1.50(MP est) ----(BP exp) ----(MP exp) PC(CCl)(Cl)I 1.5PredN
PC(Cl)C(Cl)I12673256.832C2H4Cl2IP(1,2-dichloro-2-iodoethyl)phosphaneN106PC(Cl)C(Cl)IInChI=1S/C2H4Cl2IP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=RJVQDMMWEVYQBN-UHFFFAOYSA-N211.5Ex 211.48(BP est) -15.88(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(Cl)I -15.9PredN
PC(I)C(Cl)Cl12674256.832C2H4Cl2IP(2,2-dichloro-1-iodoethyl)phosphaneN106PC(I)C(Cl)ClInChI=1S/C2H4Cl2IP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=GMAQWRKBYSGEBA-UHFFFAOYSA-N211.5Ex 211.48(BP est) -15.88(MP est) ----(BP exp) ----(MP exp) PC(I)C(Cl)Cl -15.9PredN
PCC(I)(Cl)Cl12675256.832C2H4Cl2IP(2,2-dichloro-2-iodoethyl)phosphaneN106PCC(I)(Cl)ClInChI=1S/C2H4Cl2IP/c3-2(4,5)1-6/h1,6H2InChIKey=FSUNYEXODKESMK-UHFFFAOYSA-N194.0Ex 194.03(BP est) -4.77(MP est) ----(BP exp) ----(MP exp) PCC(I)(Cl)Cl -4.8PredN
ClCPC(Cl)I12676256.832C2H4Cl2IP(chloroiodomethyl)(chloromethyl)phosphaneN106ClCPC(Cl)IInChI=1S/C2H4Cl2IP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=NKRNASPHNWNSEJ-UHFFFAOYSA-N217.1Ex 217.05(BP est) -14.94(MP est) ----(BP exp) ----(MP exp) ClCPC(Cl)I -14.9PredN
CPC(I)(Cl)Cl12677256.832C2H4Cl2IP(dichloroiodomethyl)(methyl)phosphaneN106CPC(I)(Cl)ClInChI=1S/C2H4Cl2IP/c1-6-2(3,4)5/h6H,1H3InChIKey=SJSWCKOUMOCKCK-UHFFFAOYSA-N176.4Ex 176.36(BP est) -18.11(MP est) ----(BP exp) ----(MP exp) CPC(I)(Cl)Cl -18.1PredN
ICPC(Cl)Cl12678256.832C2H4Cl2IP(dichloromethyl)(iodomethyl)phosphaneN106ICPC(Cl)ClInChI=1S/C2H4Cl2IP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=DBTPKDDJGSHCAE-UHFFFAOYSA-N206.5Ex 206.48(BP est) -18.03(MP est) ----(BP exp) ----(MP exp) ICPC(Cl)Cl -18PredN
C(Br)(I)=C(C#C)12679256.868C4H2BrI1-bromo-1-iodobut-1-en-3-yneN86C(Br)(I)=C(C#C)InChI=1S/C4H2BrI/c1-2-3-4(5)6/h1,3HInChIKey=MNMXQULWLVLXNV-UHFFFAOYSA-N212.2Ex 212.17(BP est) 8.85(MP est) ----(BP exp) ----(MP exp) C(Br)(I)=C(C#C) 8.9PredN
C(Br)=C(I)(C#C)12680256.868C4H2BrI1-bromo-2-iodobut-1-en-3-yneN86C(Br)=C(I)(C#C)InChI=1S/C4H2BrI/c1-2-4(6)3-5/h1,3HInChIKey=LOSXEWUQQAALKC-UHFFFAOYSA-N212.2Ex 212.17(BP est) 8.85(MP est) ----(BP exp) ----(MP exp) C(Br)=C(I)(C#C) 8.9PredN
C(Br)=C(C#CI)12681256.868C4H2BrI1-bromo-4-iodobut-1-en-3-yneN86C(Br)=C(C#CI)InChI=1S/C4H2BrI/c5-3-1-2-4-6/h1,3HInChIKey=VHHDIUJDOGDZHF-UHFFFAOYSA-N224.5Ex 224.48(BP est) 38.46(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C#CI) 38.5PredN
C(I)=C(Br)(C#C)12682256.868C4H2BrI2-bromo-1-iodobut-1-en-3-yneN86C(I)=C(Br)(C#C)InChI=1S/C4H2BrI/c1-2-4(5)3-6/h1,3HInChIKey=HQWIWTPXRQFUFQ-UHFFFAOYSA-N212.2Ex 212.17(BP est) 8.85(MP est) ----(BP exp) ----(MP exp) C(I)=C(Br)(C#C) 8.9PredN
C=C(Br)(C#CI)12683256.868C4H2BrI2-bromo-4-iodobut-1-en-3-yneN86C=C(Br)(C#CI)InChI=1S/C4H2BrI/c1-4(5)2-3-6/h1H2InChIKey=SRESXSIALURZJG-UHFFFAOYSA-N212.0Ex 211.98(BP est) 30.05(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C#CI) 30.1PredN
C(I)=C(C#CBr)12684256.868C4H2BrI4-bromo-1-iodobut-1-en-3-yneN86C(I)=C(C#CBr)InChI=1S/C4H2BrI/c5-3-1-2-4-6/h2,4HInChIKey=HZLDWKIPTBCNMI-UHFFFAOYSA-N224.5Ex 224.48(BP est) 38.46(MP est) ----(BP exp) ----(MP exp) C(I)=C(C#CBr) 38.5PredN
C=C(I)(C#CBr)12685256.868C4H2BrI4-bromo-2-iodobut-1-en-3-yneN86C=C(I)(C#CBr)InChI=1S/C4H2BrI/c1-4(6)2-3-5/h1H2InChIKey=JRGWLNDMQWEWCG-UHFFFAOYSA-N212.0Ex 211.98(BP est) 30.05(MP est) ----(BP exp) ----(MP exp) C=C(I)(C#CBr) 30.1PredN
C(Cl)SC(Cl)(I)12686256.91C2H3Cl2IS(chloroiodomethyl)(chloromethyl)sulfaneN96C(Cl)SC(Cl)(I)InChI=1S/C2H3Cl2IS/c3-1-6-2(4)5/h2H,1H2InChIKey=NWJMBCPACYOWSB-UHFFFAOYSA-N239.2Ex 239.21(BP est) 1.23(MP est) ----(BP exp) ----(MP exp) C(Cl)SC(Cl)(I) 1.2PredN
CSC(Cl)(Cl)(I)12687256.91C2H3Cl2IS(dichloroiodomethyl)(methyl)sulfaneN96CSC(Cl)(Cl)(I)InChI=1S/C2H3Cl2IS/c1-6-2(3,4)5/h1H3InChIKey=DDZFPNHEDBNEDR-UHFFFAOYSA-N200.7Ex 200.71(BP est) -1.30(MP est) ----(BP exp) ----(MP exp) CSC(Cl)(Cl)(I) -1.3PredN
C(I)SC(Cl)(Cl)12688256.91C2H3Cl2IS(dichloromethyl)(iodomethyl)sulfaneN96C(I)SC(Cl)(Cl)InChI=1S/C2H3Cl2IS/c3-2(4)6-1-5/h2H,1H2InChIKey=YLAVXCPBTNEVSD-UHFFFAOYSA-N229.2Ex 229.22(BP est) -1.69(MP est) ----(BP exp) ----(MP exp) C(I)SC(Cl)(Cl) -1.7PredN
C(Cl)(Cl)=C(Cl)(I)12689257.276C2Cl3I1,1,2-trichloro-2-iodoetheneN66C(Cl)(Cl)=C(Cl)(I)InChI=1S/C2Cl3I/c3-1(4)2(5)6InChIKey=PYCRLYXFOINYFA-UHFFFAOYSA-N184.9Ex 184.87(BP est) -25.88(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)=C(Cl)(I) -25.9PredN
C(Br)(I)=C(C1)(C1)12702258.884C4H4BrI(bromoiodomethylene)cyclopropaneN106C(Br)(I)=C(C1)(C1)InChI=1S/C4H4BrI/c5-4(6)3-1-2-3/h1-2H2InChIKey=QEWBYKIPWMCYAR-UHFFFAOYSA-N210.9Ex 210.90(BP est) 3.80(MP est) ----(BP exp) ----(MP exp) C(Br)(I)=C(C1)(C1) 3.8PredN
BrC(I)C1=CC112703258.884C4H4BrI1-(bromoiodomethyl)cycloprop-1-eneN106BrC(I)C1=CC1InChI=1S/C4H4BrI/c5-4(6)3-1-2-3/h1,4H,2H2InChIKey=ZJMUUDRVCXSDLS-UHFFFAOYSA-N202.7Ex 202.70(BP est) 2.35(MP est) ----(BP exp) ----(MP exp) BrC(I)C1=CC1 2.4PredN
IC(C1)=C1CBr12704258.884C4H4BrI1-(bromomethyl)-2-iodocycloprop-1-eneN106IC(C1)=C1CBrInChI=1S/C4H4BrI/c5-2-3-1-4(3)6/h1-2H2InChIKey=CKMSZEMWVKYDNQ-UHFFFAOYSA-N212.8Ex 212.81(BP est) 19.06(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1CBr 19.1PredN
BrCC1=CC1I12705258.884C4H4BrI1-(bromomethyl)-3-iodocycloprop-1-eneN106BrCC1=CC1IInChI=1S/C4H4BrI/c5-2-3-1-4(3)6/h1,4H,2H2InChIKey=LXHFJEAMEKAUJA-UHFFFAOYSA-N208.9Ex 208.85(BP est) 9.52(MP est) ----(BP exp) ----(MP exp) BrCC1=CC1I 9.5PredN
C(Br)=C(C1)(C1I)12706258.884C4H4BrI1-(bromomethylene)-2-iodocyclopropaneN106C(Br)=C(C1)(C1I)InChI=1S/C4H4BrI/c5-2-3-1-4(3)6/h2,4H,1H2InChIKey=FCJASABRPWQDMP-UHFFFAOYSA-N210.6Ex 210.57(BP est) 8.57(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C1)(C1I) 8.6PredN
C=C(C1)(C1(Br)I)12707258.884C4H4BrI1-bromo-1-iodo-2-methylenecyclopropaneN106C=C(C1)(C1(Br)I)InChI=1S/C4H4BrI/c1-3-2-4(3,5)6/h1-2H2InChIKey=YIZZTRDPOSZYQS-UHFFFAOYSA-N192.5Ex 192.51(BP est) 16.90(MP est) ----(BP exp) ----(MP exp) C=C(C1)(C1(Br)I) 16.9PredN
C=C(C=C(Br)I)12709258.884C4H4BrI1-bromo-1-iodobuta-1,3-dieneN106C=C(C=C(Br)I)InChI=1S/C4H4BrI/c1-2-3-4(5)6/h2-3H,1H2InChIKey=ZHLXCWDLHFBEIE-UHFFFAOYSA-N203.9Ex 203.85(BP est) -17.95(MP est) ----(BP exp) ----(MP exp) C=C(C=C(Br)I) -18PredN
BrC(C1)=C1CI12710258.884C4H4BrI1-bromo-2-(iodomethyl)cycloprop-1-eneN106BrC(C1)=C1CIInChI=1S/C4H4BrI/c5-4-1-3(4)2-6/h1-2H2InChIKey=CAXVTUQWFOFLEU-UHFFFAOYSA-N212.8Ex 212.81(BP est) 19.06(MP est) ----(BP exp) ----(MP exp) BrC(C1)=C1CI 19.1PredN
C(I)=C(C1)(C1Br)12711258.884C4H4BrI1-bromo-2-(iodomethylene)cyclopropaneN106C(I)=C(C1)(C1Br)InChI=1S/C4H4BrI/c5-4-1-3(4)2-6/h2,4H,1H2InChIKey=BHSMBQQEHPNVTE-UHFFFAOYSA-N210.6Ex 210.57(BP est) 8.57(MP est) ----(BP exp) ----(MP exp) C(I)=C(C1)(C1Br) 8.6PredN
BrC(C1C)=C1I12712258.884C4H4BrI1-bromo-2-iodo-3-methylcycloprop-1-eneN106BrC(C1C)=C1IInChI=1S/C4H4BrI/c1-2-3(5)4(2)6/h2H,1H3InChIKey=GDHGILQGPVTALZ-UHFFFAOYSA-N207.2Ex 207.17(BP est) 15.29(MP est) ----(BP exp) ----(MP exp) BrC(C1C)=C1I 15.3PredN
C=C(C1Br)(C1I)12713258.884C4H4BrI1-bromo-2-iodo-3-methylenecyclopropaneN106C=C(C1Br)(C1I)InChI=1S/C4H4BrI/c1-2-3(5)4(2)6/h3-4H,1H2InChIKey=RDHKEIGEIWICRZ-UHFFFAOYSA-N197.3Ex 197.30(BP est) 4.23(MP est) ----(BP exp) ----(MP exp) C=C(C1Br)(C1I) 4.2PredN
C=C(C(I)=CBr)12714258.884C4H4BrI1-bromo-2-iodobuta-1,3-dieneN106C=C(C(I)=CBr)InChI=1S/C4H4BrI/c1-2-4(6)3-5/h2-3H,1H2InChIKey=KFTFHUJAHSDVFM-UHFFFAOYSA-N203.9Ex 203.85(BP est) -17.95(MP est) ----(BP exp) ----(MP exp) C=C(C(I)=CBr) -18PredN
C(C1)(C(Br)=C1I)12715258.884C4H4BrI1-bromo-2-iodocyclobut-1-eneN106C(C1)(C(Br)=C1I)InChI=1S/C4H4BrI/c5-3-1-2-4(3)6/h1-2H2InChIKey=NJNHWJRXNNJDEW-UHFFFAOYSA-N214.6Ex 214.58(BP est) 17.82(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Br)=C1I) 17.8PredN
BrC1=CC1CI12716258.884C4H4BrI1-bromo-3-(iodomethyl)cycloprop-1-eneN106BrC1=CC1CIInChI=1S/C4H4BrI/c5-4-1-3(4)2-6/h1,3H,2H2InChIKey=PEVALDFKZDCVHH-UHFFFAOYSA-N208.9Ex 208.85(BP est) 9.52(MP est) ----(BP exp) ----(MP exp) BrC1=CC1CI 9.5PredN
BrC(C1I)=C1C12717258.884C4H4BrI1-bromo-3-iodo-2-methylcycloprop-1-eneN106BrC(C1I)=C1CInChI=1S/C4H4BrI/c1-2-3(5)4(2)6/h4H,1H3InChIKey=URPLIIOLHPWZSS-UHFFFAOYSA-N207.2Ex 207.17(BP est) 15.29(MP est) ----(BP exp) ----(MP exp) BrC(C1I)=C1C 15.3PredN
BrC1=CC1(C)I12718258.884C4H4BrI1-bromo-3-iodo-3-methylcycloprop-1-eneN106BrC1=CC1(C)IInChI=1S/C4H4BrI/c1-4(6)2-3(4)5/h2H,1H3InChIKey=MOGLSERGNLYEDF-UHFFFAOYSA-N198.4Ex 198.43(BP est) 18.43(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(C)I 18.4PredN
C(C(I)C#CBr)12719258.884C4H4BrI1-bromo-3-iodobut-1-yneN106C(C(I)C#CBr)InChI=1S/C4H4BrI/c1-4(6)2-3-5/h4H,1H3InChIKey=QNBACVHMYHQSLI-UHFFFAOYSA-N207.0Ex 207.01(BP est) 28.36(MP est) ----(BP exp) ----(MP exp) C(C(I)C#CBr) 28.4PredN
C=C(I)(C=CBr)12720258.884C4H4BrI1-bromo-3-iodobuta-1,3-dieneN106C=C(I)(C=CBr)InChI=1S/C4H4BrI/c1-4(6)2-3-5/h2-3H,1H2InChIKey=GOOOOUYNYOZLLT-UHFFFAOYSA-N203.9Ex 203.85(BP est) -17.95(MP est) ----(BP exp) ----(MP exp) C=C(I)(C=CBr) -18PredN
C(C1I)(C(Br)=C1)12721258.884C4H4BrI1-bromo-3-iodocyclobut-1-eneN106C(C1I)(C(Br)=C1)InChI=1S/C4H4BrI/c5-3-1-4(6)2-3/h1,4H,2H2InChIKey=QFXKXSTUYPGUIU-UHFFFAOYSA-N210.6Ex 210.64(BP est) 8.28(MP est) ----(BP exp) ----(MP exp) C(C1I)(C(Br)=C1) 8.3PredN
C(I)(CC#CBr)12722258.884C4H4BrI1-bromo-4-iodobut-1-yneN106C(I)(CC#CBr)InChI=1S/C4H4BrI/c5-3-1-2-4-6/h2,4H2InChIKey=DBFAUCNZYIHODV-UHFFFAOYSA-N218.7Ex 218.66(BP est) 37.89(MP est) ----(BP exp) ----(MP exp) C(I)(CC#CBr) 37.9PredN
C(CBr)#C(CI)12723258.884C4H4BrI1-bromo-4-iodobut-2-yneN106C(CBr)#C(CI)InChI=1S/C4H4BrI/c5-3-1-2-4-6/h3-4H2InChIKey=WUVUYTXWDQOGAH-UHFFFAOYSA-N218.7Ex 218.66(BP est) 37.89(MP est) ----(BP exp) ----(MP exp) C(CBr)#C(CI) 37.9PredN
C(Br)=C(C=CI)12724258.884C4H4BrI1-bromo-4-iodobuta-1,3-dieneN106C(Br)=C(C=CI)InChI=1S/C4H4BrI/c5-3-1-2-4-6/h1-4HInChIKey=OJLMIJSFDYBFJQ-UHFFFAOYSA-N216.6Ex 216.59(BP est) -8.91(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C=CI) -8.9PredN
C(C1I)(C=C1Br)12725258.884C4H4BrI1-bromo-4-iodocyclobut-1-eneN106C(C1I)(C=C1Br)InChI=1S/C4H4BrI/c5-3-1-2-4(3)6/h1,4H,2H2InChIKey=UDPHGJOEPWBTLO-UHFFFAOYSA-N210.6Ex 210.64(BP est) 8.28(MP est) ----(BP exp) ----(MP exp) C(C1I)(C=C1Br) 8.3PredN
C=C(C(Br)=CI)12726258.884C4H4BrI2-bromo-1-iodobuta-1,3-dieneN106C=C(C(Br)=CI)InChI=1S/C4H4BrI/c1-2-4(5)3-6/h2-3H,1H2InChIKey=ZBUGRCWIVFKGJJ-UHFFFAOYSA-N203.9Ex 203.85(BP est) -17.95(MP est) ----(BP exp) ----(MP exp) C=C(C(Br)=CI) -18PredN
C=C(Br)(C(I)=C)12727258.884C4H4BrI2-bromo-3-iodobuta-1,3-dieneN106C=C(Br)(C(I)=C)InChI=1S/C4H4BrI/c1-3(5)4(2)6/h1-2H2InChIKey=LNHAXVXHBHUUDU-UHFFFAOYSA-N190.7Ex 190.71(BP est) -27.10(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C(I)=C) -27.1PredN
BrC(I)C1C=C112728258.884C4H4BrI3-(bromoiodomethyl)cycloprop-1-eneN106BrC(I)C1C=C1InChI=1S/C4H4BrI/c5-4(6)3-1-2-3/h1-4HInChIKey=HOMSLWVQOOBMMS-UHFFFAOYSA-N198.7Ex 198.65(BP est) -7.22(MP est) ----(BP exp) ----(MP exp) BrC(I)C1C=C1 -7.2PredN
IC1=CC1CBr12729258.884C4H4BrI3-(bromomethyl)-1-iodocycloprop-1-eneN106IC1=CC1CBrInChI=1S/C4H4BrI/c5-2-3-1-4(3)6/h1,3H,2H2InChIKey=RPFWVIIUFOFHBS-UHFFFAOYSA-N208.9Ex 208.85(BP est) 9.52(MP est) ----(BP exp) ----(MP exp) IC1=CC1CBr 9.5PredN
IC1(CBr)C=C112730258.884C4H4BrI3-(bromomethyl)-3-iodocycloprop-1-eneN106IC1(CBr)C=C1InChI=1S/C4H4BrI/c5-3-4(6)1-2-4/h1-2H,3H2InChIKey=HETVGZZXPRFQRP-UHFFFAOYSA-N200.2Ex 200.15(BP est) 12.67(MP est) ----(BP exp) ----(MP exp) IC1(CBr)C=C1 12.7PredN
ICC1=CC1Br12731258.884C4H4BrI3-bromo-1-(iodomethyl)cycloprop-1-eneN106ICC1=CC1BrInChI=1S/C4H4BrI/c5-4-1-3(4)2-6/h1,4H,2H2InChIKey=BZZGVKFTVKZNPE-UHFFFAOYSA-N208.9Ex 208.85(BP est) 9.52(MP est) ----(BP exp) ----(MP exp) ICC1=CC1Br 9.5PredN
IC(C1Br)=C1C12732258.884C4H4BrI3-bromo-1-iodo-2-methylcycloprop-1-eneN106IC(C1Br)=C1CInChI=1S/C4H4BrI/c1-2-3(5)4(2)6/h3H,1H3InChIKey=LNXVKMUBYZGXHJ-UHFFFAOYSA-N207.2Ex 207.17(BP est) 15.29(MP est) ----(BP exp) ----(MP exp) IC(C1Br)=C1C 15.3PredN
IC1=CC1(C)Br12733258.884C4H4BrI3-bromo-1-iodo-3-methylcycloprop-1-eneN106IC1=CC1(C)BrInChI=1S/C4H4BrI/c1-4(5)2-3(4)6/h2H,1H3InChIKey=YEGKCAZJVOCXDT-UHFFFAOYSA-N198.4Ex 198.43(BP est) 18.43(MP est) ----(BP exp) ----(MP exp) IC1=CC1(C)Br 18.4PredN
C(C(Br)C#CI)12734258.884C4H4BrI3-bromo-1-iodobut-1-yneN106C(C(Br)C#CI)InChI=1S/C4H4BrI/c1-4(5)2-3-6/h4H,1H3InChIKey=HXXVAMYXOIXCEJ-UHFFFAOYSA-N207.0Ex 207.01(BP est) 28.36(MP est) ----(BP exp) ----(MP exp) C(C(Br)C#CI) 28.4PredN
C=C(Br)(C=CI)12735258.884C4H4BrI3-bromo-1-iodobuta-1,3-dieneN106C=C(Br)(C=CI)InChI=1S/C4H4BrI/c1-4(5)2-3-6/h2-3H,1H2InChIKey=YUWQPCLGPKDYSG-UHFFFAOYSA-N203.9Ex 203.85(BP est) -17.95(MP est) ----(BP exp) ----(MP exp) C=C(Br)(C=CI) -18PredN
C(C1Br)(C(I)=C1)12736258.884C4H4BrI3-bromo-1-iodocyclobut-1-eneN106C(C1Br)(C(I)=C1)InChI=1S/C4H4BrI/c5-3-1-4(6)2-3/h1,3H,2H2InChIKey=RVLXMLOXYQOFNV-UHFFFAOYSA-N210.6Ex 210.64(BP est) 8.28(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C(I)=C1) 8.3PredN
BrC1(CI)C=C112737258.884C4H4BrI3-bromo-3-(iodomethyl)cycloprop-1-eneN106BrC1(CI)C=C1InChI=1S/C4H4BrI/c5-4(3-6)1-2-4/h1-2H,3H2InChIKey=KUBDFWWUFGBAIM-UHFFFAOYSA-N200.2Ex 200.15(BP est) 12.67(MP est) ----(BP exp) ----(MP exp) BrC1(CI)C=C1 12.7PredN
CC1=CC1(I)Br12738258.884C4H4BrI3-bromo-3-iodo-1-methylcycloprop-1-eneN106CC1=CC1(I)BrInChI=1S/C4H4BrI/c1-3-2-4(3,5)6/h2H,1H3InChIKey=MWUYCMWZGHKCSA-UHFFFAOYSA-N198.4Ex 198.43(BP est) 18.43(MP est) ----(BP exp) ----(MP exp) CC1=CC1(I)Br 18.4PredN
C(C(Br)(I)C#C)12739258.884C4H4BrI3-bromo-3-iodobut-1-yneN106C(C(Br)(I)C#C)InChI=1S/C4H4BrI/c1-3-4(2,5)6/h1H,2H3InChIKey=HXSMAHUTSFAWSO-UHFFFAOYSA-N191.7Ex 191.67(BP est) 13.59(MP est) ----(BP exp) ----(MP exp) C(C(Br)(I)C#C) 13.6PredN
C(C1(Br)I)(C=C1)12740258.884C4H4BrI3-bromo-3-iodocyclobut-1-eneN106C(C1(Br)I)(C=C1)InChI=1S/C4H4BrI/c5-4(6)2-1-3-4/h1-2H,3H2InChIKey=DALCVBCTIWAOGA-UHFFFAOYSA-N202.0Ex 201.97(BP est) 11.44(MP est) ----(BP exp) ----(MP exp) C(C1(Br)I)(C=C1) 11.4PredN
C(I)(C(Br)C#C)12741258.884C4H4BrI3-bromo-4-iodobut-1-yneN106C(I)(C(Br)C#C)InChI=1S/C4H4BrI/c1-2-4(5)3-6/h1,4H,3H2InChIKey=QPZVMKNEISDBFJ-UHFFFAOYSA-N199.6Ex 199.64(BP est) 7.21(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)C#C) 7.2PredN
C(Br)(C1I)(C=C1)12742258.884C4H4BrI3-bromo-4-iodocyclobut-1-eneN106C(Br)(C1I)(C=C1)InChI=1S/C4H4BrI/c5-3-1-2-4(3)6/h1-4HInChIKey=VTXBPTYZLVMSKP-UHFFFAOYSA-N206.7Ex 206.66(BP est) -1.26(MP est) ----(BP exp) ----(MP exp) C(Br)(C1I)(C=C1) -1.3PredN
C(Br)(CC#CI)12743258.884C4H4BrI4-bromo-1-iodobut-1-yneN106C(Br)(CC#CI)InChI=1S/C4H4BrI/c5-3-1-2-4-6/h1,3H2InChIKey=ALLXJWTVUJNKMW-UHFFFAOYSA-N218.7Ex 218.66(BP est) 37.89(MP est) ----(BP exp) ----(MP exp) C(Br)(CC#CI) 37.9PredN
C(C1Br)(C=C1I)12744258.884C4H4BrI4-bromo-1-iodocyclobut-1-eneN106C(C1Br)(C=C1I)InChI=1S/C4H4BrI/c5-3-1-2-4(3)6/h2-3H,1H2InChIKey=HMYPHPMKOCXZIV-UHFFFAOYSA-N210.6Ex 210.64(BP est) 8.28(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C=C1I) 8.3PredN
C(Br)(C(I)C#C)12745258.884C4H4BrI4-bromo-3-iodobut-1-yneN106C(Br)(C(I)C#C)InChI=1S/C4H4BrI/c1-2-4(6)3-5/h1,4H,3H2InChIKey=WASXQRVVHFWNJZ-UHFFFAOYSA-N199.6Ex 199.64(BP est) 7.21(MP est) ----(BP exp) ----(MP exp) C(Br)(C(I)C#C) 7.2PredN
C(Br)(I)(CC#C)12746258.884C4H4BrI4-bromo-4-iodobut-1-yneN106C(Br)(I)(CC#C)InChI=1S/C4H4BrI/c1-2-3-4(5)6/h1,4H,3H2InChIKey=PSTDFVDHRRICOV-UHFFFAOYSA-N199.6Ex 199.64(BP est) 7.21(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(CC#C) 7.2PredN
C(I)(C(Cl)(Cl)Cl)12747259.292C2H2Cl3I1,1,1-trichloro-2-iodoethaneN86C(I)(C(Cl)(Cl)Cl)InChI=1S/C2H2Cl3I/c3-2(4,5)1-6/h1H2InChIKey=KMPPLOIOXCQZAT-UHFFFAOYSA-N174.6Ex 174.56(BP est) -11.18(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)(Cl)Cl) -11.2PredN
C(Cl)(C(Cl)(Cl)I)12748259.292C2H2Cl3I1,1,2-trichloro-1-iodoethaneN86C(Cl)(C(Cl)(Cl)I)InChI=1S/C2H2Cl3I/c3-1-2(4,5)6/h1H2InChIKey=CFDYNWWNBIFYGT-UHFFFAOYSA-N197.0Ex 196.96(BP est) -4.64(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Cl)(Cl)I) -4.6PredN
C(Cl)(Cl)(C(Cl)I)12749259.292C2H2Cl3I1,1,2-trichloro-2-iodoethaneN86C(Cl)(Cl)(C(Cl)I)InChI=1S/C2H2Cl3I/c3-1(4)2(5)6/h1-2HInChIKey=XGYVMJXZKLWGTG-UHFFFAOYSA-N203.6Ex 203.64(BP est) -18.90(MP est) ----(BP exp) ----(MP exp) C(Cl)(Cl)(C(Cl)I) -18.9PredN
NC(Br)(I)(C#C)12750259.872C3H3BrIN1-bromo-1-iodoprop-2-yn-1-amineN96NC(Br)(I)(C#C)InChI=1S/C3H3BrIN/c1-2-3(4,5)6/h1H,6H2InChIKey=KJLCLIUUFXSEDI-UHFFFAOYSA-N223.9Ex 223.94(BP est) 38.05(MP est) ----(BP exp) ----(MP exp) NC(Br)(I)(C#C) 38.1PredN
NC(Br)(C#CI)12751259.872C3H3BrIN1-bromo-3-iodoprop-2-yn-1-amineN96NC(Br)(C#CI)InChI=1S/C3H3BrIN/c4-3(6)1-2-5/h3H,6H2InChIKey=RXHSBLYIQWCLAQ-UHFFFAOYSA-N238.1Ex 238.13(BP est) 54.70(MP est) ----(BP exp) ----(MP exp) NC(Br)(C#CI) 54.7PredN
BrC(I)C1=CN112752259.872C3H3BrIN2-(bromoiodomethyl)-1H-azirineN96BrC(I)C1=CN1InChI=1S/C3H3BrIN/c4-3(5)2-1-6-2/h1,3,6HInChIKey=STAAFOUUMIXPPW-UHFFFAOYSA-N233.4Ex 233.44(BP est) 46.35(MP est) ----(BP exp) ----(MP exp) BrC(I)C1=CN1 46.4PredN
IC(N1)=C1CBr12753259.872C3H3BrIN2-(bromomethyl)-3-iodo-1H-azirineN96IC(N1)=C1CBrInChI=1S/C3H3BrIN/c4-1-2-3(5)6-2/h6H,1H2InChIKey=WAJUPEVJACWCQN-UHFFFAOYSA-N242.8Ex 242.80(BP est) 51.40(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1CBr 51.4PredN
BrC(N1)=C1CI12754259.872C3H3BrIN2-bromo-3-(iodomethyl)-1H-azirineN96BrC(N1)=C1CIInChI=1S/C3H3BrIN/c4-3-2(1-5)6-3/h6H,1H2InChIKey=XPXPILKKESUAEO-UHFFFAOYSA-N242.8Ex 242.80(BP est) 51.40(MP est) ----(BP exp) ----(MP exp) BrC(N1)=C1CI 51.4PredN
BrC(I)C1=CO112767260.856C3H2BrIO2-(bromoiodomethyl)oxireneN86BrC(I)C1=CO1InChI=1S/C3H2BrIO/c4-3(5)2-1-6-2/h1,3HInChIKey=WVHUHVYETLNZQY-UHFFFAOYSA-N208.0Ex 208.01(BP est) 11.55(MP est) ----(BP exp) ----(MP exp) BrC(I)C1=CO1 11.6PredN
IC(O1)=C1CBr12768260.856C3H2BrIO2-(bromomethyl)-3-iodooxireneN86IC(O1)=C1CBrInChI=1S/C3H2BrIO/c4-1-2-3(5)6-2/h1H2InChIKey=YYVKAALAVRHIPY-UHFFFAOYSA-N218.0Ex 218.00(BP est) 28.22(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1CBr 28.2PredN
BrC(O1)=C1CI12769260.856C3H2BrIO2-bromo-3-(iodomethyl)oxireneN86BrC(O1)=C1CIInChI=1S/C3H2BrIO/c4-3-2(1-5)6-3/h1H2InChIKey=YQMUXBRELMSXEY-UHFFFAOYSA-N218.0Ex 218.00(BP est) 28.22(MP est) ----(BP exp) ----(MP exp) BrC(O1)=C1CI 28.2PredN
C(=O)C(Br)=C(I)12770260.856C3H2BrIO2-bromo-3-iodoacrylaldehydeN86C(=O)C(Br)=C(I)InChI=1S/C3H2BrIO/c4-3(1-5)2-6/h1-2HInChIKey=GZXRXFFVMCBBHC-UHFFFAOYSA-N234.5Ex 234.45(BP est) 7.23(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)=C(I) 7.2PredN
C(=O)C(I)=C(Br)12771260.856C3H2BrIO3-bromo-2-iodoacrylaldehydeN86C(=O)C(I)=C(Br)InChI=1S/C3H2BrIO/c4-1-3(5)2-6/h1-2HInChIKey=ZGPLLRGJXVHJAL-UHFFFAOYSA-N234.5Ex 234.45(BP est) 7.23(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)=C(Br) 7.2PredN
C(=O)C=C(Br)(I)12772260.856C3H2BrIO3-bromo-3-iodoacrylaldehydeN86C(=O)C=C(Br)(I)InChI=1S/C3H2BrIO/c4-3(5)1-2-6/h1-2HInChIKey=OTUGCSVXLMIGCX-UHFFFAOYSA-N234.5Ex 234.45(BP est) 7.23(MP est) ----(BP exp) ----(MP exp) C(=O)C=C(Br)(I) 7.2PredN
C(C(Br)I)(C1)(C1)12773260.9C4H6BrI(bromoiodomethyl)cyclopropaneN126C(C(Br)I)(C1)(C1)InChI=1S/C4H6BrI/c5-4(6)3-1-2-3/h3-4H,1-2H2InChIKey=LGPKIQQUWFIEBH-UHFFFAOYSA-N196.0Ex 196.02(BP est) -8.36(MP est) ----(BP exp) ----(MP exp) C(C(Br)I)(C1)(C1) -8.4PredN
C(I)(CBr)(C1)(C1)12774260.9C4H6BrI1-(bromomethyl)-1-iodocyclopropaneN126C(I)(CBr)(C1)(C1)InChI=1S/C4H6BrI/c5-3-4(6)1-2-4/h1-3H2InChIKey=URXILIGTXLTBRR-UHFFFAOYSA-N197.5Ex 197.53(BP est) 11.53(MP est) ----(BP exp) ----(MP exp) C(I)(CBr)(C1)(C1) 11.5PredN
C(CBr)(C1)(C1I)12775260.9C4H6BrI1-(bromomethyl)-2-iodocyclopropaneN126C(CBr)(C1)(C1I)InChI=1S/C4H6BrI/c5-2-3-1-4(3)6/h3-4H,1-2H2InChIKey=YKZBGUVPMGLAPL-UHFFFAOYSA-N202.3Ex 202.26(BP est) -1.16(MP est) ----(BP exp) ----(MP exp) C(CBr)(C1)(C1I) -1.2PredN
C(Br)(CI)(C1)(C1)12776260.9C4H6BrI1-bromo-1-(iodomethyl)cyclopropaneN126C(Br)(CI)(C1)(C1)InChI=1S/C4H6BrI/c5-4(3-6)1-2-4/h1-3H2InChIKey=HZSRXASRJKWQRZ-UHFFFAOYSA-N197.5Ex 197.53(BP est) 11.53(MP est) ----(BP exp) ----(MP exp) C(Br)(CI)(C1)(C1) 11.5PredN
C(C)(C1)(C1(Br)I)12777260.9C4H6BrI1-bromo-1-iodo-2-methylcyclopropaneN126C(C)(C1)(C1(Br)I)InChI=1S/C4H6BrI/c1-3-2-4(3,5)6/h3H,2H2,1H3InChIKey=WWBOTSAUMXJFSQ-UHFFFAOYSA-N191.7Ex 191.68(BP est) 7.70(MP est) ----(BP exp) ----(MP exp) C(C)(C1)(C1(Br)I) 7.7PredN
C(Br)(I)=C(C)(C)12778260.9C4H6BrI1-bromo-1-iodo-2-methylprop-1-eneN126C(Br)(I)=C(C)(C)InChI=1S/C4H6BrI/c1-3(2)4(5)6/h1-2H3InChIKey=KHRKEXYUYVPVLN-UHFFFAOYSA-N199.9Ex 199.92(BP est) -25.20(MP est) ----(BP exp) ----(MP exp) C(Br)(I)=C(C)(C) -25.2PredN
C(CC=C(Br)I)12779260.9C4H6BrI1-bromo-1-iodobut-1-eneN126C(CC=C(Br)I)InChI=1S/C4H6BrI/c1-2-3-4(5)6/h3H,2H2,1H3InChIKey=DDKZAQNPHZQPQI-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(CC=C(Br)I) -16.6PredN
C(C)=C(C(Br)I)12780260.9C4H6BrI1-bromo-1-iodobut-2-eneN126C(C)=C(C(Br)I)InChI=1S/C4H6BrI/c1-2-3-4(5)6/h2-4H,1H3InChIKey=PJOXIGIUZAGBLI-UHFFFAOYSA-N198.8Ex 198.78(BP est) -19.07(MP est) ----(BP exp) ----(MP exp) C(C)=C(C(Br)I) -19.1PredN
C(C1)(CC1(Br)I)12781260.9C4H6BrI1-bromo-1-iodocyclobutaneN126C(C1)(CC1(Br)I)InChI=1S/C4H6BrI/c5-4(6)2-1-3-4/h1-3H2InChIKey=RNCZYWUPXPLULL-UHFFFAOYSA-N199.4Ex 199.36(BP est) 10.30(MP est) ----(BP exp) ----(MP exp) C(C1)(CC1(Br)I) 10.3PredN
C(CI)(C1)(C1Br)12782260.9C4H6BrI1-bromo-2-(iodomethyl)cyclopropaneN126C(CI)(C1)(C1Br)InChI=1S/C4H6BrI/c5-4-1-3(4)2-6/h3-4H,1-2H2InChIKey=NJMDUEZCWBLDSV-UHFFFAOYSA-N202.3Ex 202.26(BP est) -1.16(MP est) ----(BP exp) ----(MP exp) C(CI)(C1)(C1Br) -1.2PredN
C(Br)(C)(C1)(C1I)12783260.9C4H6BrI1-bromo-2-iodo-1-methylcyclopropaneN126C(Br)(C)(C1)(C1I)InChI=1S/C4H6BrI/c1-4(5)2-3(4)6/h3H,2H2,1H3InChIKey=NFEQYIRWWNPRMS-UHFFFAOYSA-N191.7Ex 191.68(BP est) 7.70(MP est) ----(BP exp) ----(MP exp) C(Br)(C)(C1)(C1I) 7.7PredN
C(C)(C1Br)(C1I)12784260.9C4H6BrI1-bromo-2-iodo-3-methylcyclopropaneN126C(C)(C1Br)(C1I)InChI=1S/C4H6BrI/c1-2-3(5)4(2)6/h2-4H,1H3InChIKey=HCXLETGPYMGVTE-UHFFFAOYSA-N196.5Ex 196.48(BP est) -4.97(MP est) ----(BP exp) ----(MP exp) C(C)(C1Br)(C1I) -5PredN
C(CC(I)=CBr)12785260.9C4H6BrI1-bromo-2-iodobut-1-eneN126C(CC(I)=CBr)InChI=1S/C4H6BrI/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=KRKRKDQGVOYBNE-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(CC(I)=CBr) -16.6PredN
C(C)=C(I)(CBr)12786260.9C4H6BrI1-bromo-2-iodobut-2-eneN126C(C)=C(I)(CBr)InChI=1S/C4H6BrI/c1-2-4(6)3-5/h2H,3H2,1H3InChIKey=BWGFXGKYRIWCCL-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(C)=C(I)(CBr) -16.6PredN
C(C1)(C(Br)C1I)12787260.9C4H6BrI1-bromo-2-iodocyclobutaneN126C(C1)(C(Br)C1I)InChI=1S/C4H6BrI/c5-3-1-2-4(3)6/h3-4H,1-2H2InChIKey=DSKAOMFUVAXCJY-UHFFFAOYSA-N204.1Ex 204.07(BP est) -2.39(MP est) ----(BP exp) ----(MP exp) C(C1)(C(Br)C1I) -2.4PredN
C(Br)=C(C)(CI)12788260.9C4H6BrI1-bromo-3-iodo-2-methylprop-1-eneN126C(Br)=C(C)(CI)InChI=1S/C4H6BrI/c1-4(2-5)3-6/h2H,3H2,1H3InChIKey=YXOSYRXDWBNGJF-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(Br)=C(C)(CI) -16.6PredN
C(C(I)C=CBr)12789260.9C4H6BrI1-bromo-3-iodobut-1-eneN126C(C(I)C=CBr)InChI=1S/C4H6BrI/c1-4(6)2-3-5/h2-4H,1H3InChIKey=PNLXSZFDUHZWJD-UHFFFAOYSA-N198.8Ex 198.78(BP est) -19.07(MP est) ----(BP exp) ----(MP exp) C(C(I)C=CBr) -19.1PredN
C(CBr)=C(I)(C)12790260.9C4H6BrI1-bromo-3-iodobut-2-eneN126C(CBr)=C(I)(C)InChI=1S/C4H6BrI/c1-4(6)2-3-5/h2H,3H2,1H3InChIKey=SCLKMDCLTRILPY-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(CBr)=C(I)(C) -16.6PredN
C(C1Br)(C(I)C1)12791260.9C4H6BrI1-bromo-3-iodocyclobutaneN126C(C1Br)(C(I)C1)InChI=1S/C4H6BrI/c5-3-1-4(6)2-3/h3-4H,1-2H2InChIKey=DRTVYQSIBMEKJT-UHFFFAOYSA-N204.1Ex 204.07(BP est) -2.39(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C(I)C1) -2.4PredN
C(I)(CC=CBr)12792260.9C4H6BrI1-bromo-4-iodobut-1-eneN126C(I)(CC=CBr)InChI=1S/C4H6BrI/c5-3-1-2-4-6/h1,3H,2,4H2InChIKey=WRAJWILOMZBADD-UHFFFAOYSA-N210.7Ex 210.65(BP est) -8.10(MP est) ----(BP exp) ----(MP exp) C(I)(CC=CBr) -8.1PredN
C(CBr)=C(CI)12793260.9C4H6BrI1-bromo-4-iodobut-2-eneN126C(CBr)=C(CI)InChI=1S/C4H6BrI/c5-3-1-2-4-6/h1-2H,3-4H2InChIKey=FPGNZCSKWNXEFD-UHFFFAOYSA-N210.7Ex 210.65(BP est) -8.10(MP est) ----(BP exp) ----(MP exp) C(CBr)=C(CI) -8.1PredN
C(I)(C)(C1)(C1Br)12794260.9C4H6BrI2-bromo-1-iodo-1-methylcyclopropaneN126C(I)(C)(C1)(C1Br)InChI=1S/C4H6BrI/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=HBYJMHJQBQMVOZ-UHFFFAOYSA-N191.7Ex 191.68(BP est) 7.70(MP est) ----(BP exp) ----(MP exp) C(I)(C)(C1)(C1Br) 7.7PredN
C(CC(Br)=CI)12795260.9C4H6BrI2-bromo-1-iodobut-1-eneN126C(CC(Br)=CI)InChI=1S/C4H6BrI/c1-2-4(5)3-6/h3H,2H2,1H3InChIKey=ZLBYXWOTKZLRAE-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(CC(Br)=CI) -16.6PredN
C(C)=C(Br)(CI)12796260.9C4H6BrI2-bromo-1-iodobut-2-eneN126C(C)=C(Br)(CI)InChI=1S/C4H6BrI/c1-2-4(5)3-6/h2H,3H2,1H3InChIKey=DYCYKMKIUPCJDM-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(C)=C(Br)(CI) -16.6PredN
C(C(I)C(Br)=C)12798260.9C4H6BrI2-bromo-3-iodobut-1-eneN126C(C(I)C(Br)=C)InChI=1S/C4H6BrI/c1-3(5)4(2)6/h4H,1H2,2H3InChIKey=YSJKSQWQNXFGDP-UHFFFAOYSA-N185.5Ex 185.50(BP est) -28.27(MP est) ----(BP exp) ----(MP exp) C(C(I)C(Br)=C) -28.3PredN
C(Br)(C)=C(I)(C)12799260.9C4H6BrI2-bromo-3-iodobut-2-eneN126C(Br)(C)=C(I)(C)InChI=1S/C4H6BrI/c1-3(5)4(2)6/h1-2H3InChIKey=GRGJYCGSPYDQPE-UHFFFAOYSA-N199.9Ex 199.92(BP est) -25.20(MP est) ----(BP exp) ----(MP exp) C(Br)(C)=C(I)(C) -25.2PredN
C(I)(CC(Br)=C)12800260.9C4H6BrI2-bromo-4-iodobut-1-eneN126C(I)(CC(Br)=C)InChI=1S/C4H6BrI/c1-4(5)2-3-6/h1-3H2InChIKey=XTRHELNCOAVOBU-UHFFFAOYSA-N197.7Ex 197.72(BP est) -17.20(MP est) ----(BP exp) ----(MP exp) C(I)(CC(Br)=C) -17.2PredN
C(I)=C(C)(CBr)12801260.9C4H6BrI3-bromo-1-iodo-2-methylprop-1-eneN126C(I)=C(C)(CBr)InChI=1S/C4H6BrI/c1-4(2-5)3-6/h3H,2H2,1H3InChIKey=JCQNSORMADWBGF-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(I)=C(C)(CBr) -16.6PredN
C(C(Br)C=CI)12802260.9C4H6BrI3-bromo-1-iodobut-1-eneN126C(C(Br)C=CI)InChI=1S/C4H6BrI/c1-4(5)2-3-6/h2-4H,1H3InChIKey=OOJMXZCMRDQPTA-UHFFFAOYSA-N198.8Ex 198.78(BP est) -19.07(MP est) ----(BP exp) ----(MP exp) C(C(Br)C=CI) -19.1PredN
C(CI)=C(Br)(C)12803260.9C4H6BrI3-bromo-1-iodobut-2-eneN126C(CI)=C(Br)(C)InChI=1S/C4H6BrI/c1-4(5)2-3-6/h2H,3H2,1H3InChIKey=LQEXSHLRATWACU-UHFFFAOYSA-N205.3Ex 205.32(BP est) -16.64(MP est) ----(BP exp) ----(MP exp) C(CI)=C(Br)(C) -16.6PredN
C=C(CBr)(CI)12804260.9C4H6BrI3-bromo-2-(iodomethyl)prop-1-eneN126C=C(CBr)(CI)InChI=1S/C4H6BrI/c1-4(2-5)3-6/h1-3H2InChIKey=HGTUBUSUWVOSFD-UHFFFAOYSA-N197.7Ex 197.72(BP est) -17.20(MP est) ----(BP exp) ----(MP exp) C=C(CBr)(CI) -17.2PredN
C(C(Br)C(I)=C)12805260.9C4H6BrI3-bromo-2-iodobut-1-eneN126C(C(Br)C(I)=C)InChI=1S/C4H6BrI/c1-3(5)4(2)6/h3H,2H2,1H3InChIKey=MDRMQZSNCCCWCG-UHFFFAOYSA-N185.5Ex 185.50(BP est) -28.27(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(I)=C) -28.3PredN
C=C(C)(C(Br)I)12806260.9C4H6BrI3-bromo-3-iodo-2-methylprop-1-eneN126C=C(C)(C(Br)I)InChI=1S/C4H6BrI/c1-3(2)4(5)6/h4H,1H2,2H3InChIKey=YZQMWKBMZJHERX-UHFFFAOYSA-N185.5Ex 185.50(BP est) -28.27(MP est) ----(BP exp) ----(MP exp) C=C(C)(C(Br)I) -28.3PredN
C(C(Br)(I)C=C)12807260.9C4H6BrI3-bromo-3-iodobut-1-eneN126C(C(Br)(I)C=C)InChI=1S/C4H6BrI/c1-3-4(2,5)6/h3H,1H2,2H3InChIKey=ARDZGEJVUVNMKF-UHFFFAOYSA-N183.0Ex 182.95(BP est) -13.32(MP est) ----(BP exp) ----(MP exp) C(C(Br)(I)C=C) -13.3PredN
C(I)(C(Br)C=C)12808260.9C4H6BrI3-bromo-4-iodobut-1-eneN126C(I)(C(Br)C=C)InChI=1S/C4H6BrI/c1-2-4(5)3-6/h2,4H,1,3H2InChIKey=QXDJBTCOILIVJG-UHFFFAOYSA-N191.1Ex 191.07(BP est) -19.66(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)C=C) -19.7PredN
C(Br)(CC=CI)12809260.9C4H6BrI4-bromo-1-iodobut-1-eneN126C(Br)(CC=CI)InChI=1S/C4H6BrI/c5-3-1-2-4-6/h2,4H,1,3H2InChIKey=NVDIQZXVCLAXRD-UHFFFAOYSA-N210.7Ex 210.65(BP est) -8.10(MP est) ----(BP exp) ----(MP exp) C(Br)(CC=CI) -8.1PredN
C(Br)(CC(I)=C)12810260.9C4H6BrI4-bromo-2-iodobut-1-eneN126C(Br)(CC(I)=C)InChI=1S/C4H6BrI/c1-4(6)2-3-5/h1-3H2InChIKey=MLGBTJSBNNLQOV-UHFFFAOYSA-N197.7Ex 197.72(BP est) -17.20(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(I)=C) -17.2PredN
C(Br)(C(I)C=C)12811260.9C4H6BrI4-bromo-3-iodobut-1-eneN126C(Br)(C(I)C=C)InChI=1S/C4H6BrI/c1-2-4(6)3-5/h2,4H,1,3H2InChIKey=BSOLLIYTVZSSFV-UHFFFAOYSA-N191.1Ex 191.07(BP est) -19.66(MP est) ----(BP exp) ----(MP exp) C(Br)(C(I)C=C) -19.7PredN
C(Br)(I)(CC=C)12812260.9C4H6BrI4-bromo-4-iodobut-1-eneN126C(Br)(I)(CC=C)InChI=1S/C4H6BrI/c1-2-3-4(5)6/h2,4H,1,3H2InChIKey=IJTGUDIKFSUEKY-UHFFFAOYSA-N191.1Ex 191.07(BP est) -19.66(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(CC=C) -19.7PredN
NC(Br)(I)(C=C)12814261.888C3H5BrIN1-bromo-1-iodoprop-2-en-1-amineN116NC(Br)(I)(C=C)InChI=1S/C3H5BrIN/c1-2-3(4,5)6/h2H,1,6H2InChIKey=MLCDTARJUKDVLY-UHFFFAOYSA-N215.9Ex 215.86(BP est) 32.28(MP est) ----(BP exp) ----(MP exp) NC(Br)(I)(C=C) 32.3PredN
NC(Br)(C1)(C1I)12815261.888C3H5BrIN1-bromo-2-iodocyclopropan-1-amineN116NC(Br)(C1)(C1I)InChI=1S/C3H5BrIN/c4-3(6)1-2(3)5/h2H,1,6H2InChIKey=FACPONSIBOOBPI-UHFFFAOYSA-N224.0Ex 223.95(BP est) 41.11(MP est) ----(BP exp) ----(MP exp) NC(Br)(C1)(C1I) 41.1PredN
NC(Br)(C(I)=C)12816261.888C3H5BrIN1-bromo-2-iodoprop-2-en-1-amineN116NC(Br)(C(I)=C)InChI=1S/C3H5BrIN/c1-2(5)3(4)6/h3H,1,6H2InChIKey=PZYXPMKRRSSEID-UHFFFAOYSA-N218.2Ex 218.22(BP est) 17.28(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(I)=C) 17.3PredN
NC(Br)(C=CI)12817261.888C3H5BrIN1-bromo-3-iodoprop-2-en-1-amineN116NC(Br)(C=CI)InChI=1S/C3H5BrIN/c4-3(6)1-2-5/h1-3H,6H2InChIKey=NVKHNXNDZGQQSZ-UHFFFAOYSA-N230.5Ex 230.52(BP est) 26.20(MP est) ----(BP exp) ----(MP exp) NC(Br)(C=CI) 26.2PredN
BrC(I)C1CN112818261.888C3H5BrIN2-(bromoiodomethyl)aziridineN116BrC(I)C1CN1InChI=1S/C3H5BrIN/c4-3(5)2-1-6-2/h2-3,6H,1H2InChIKey=HTQVFTOZDJRKHY-UHFFFAOYSA-N227.3Ex 227.25(BP est) 38.10(MP est) ----(BP exp) ----(MP exp) BrC(I)C1CN1 38.1PredN
IC1(CBr)CN112819261.888C3H5BrIN2-(bromomethyl)-2-iodoaziridineN116IC1(CBr)CN1InChI=1S/C3H5BrIN/c4-1-3(5)2-6-3/h6H,1-2H2InChIKey=UGDNIVKVHMUGHB-UHFFFAOYSA-N228.6Ex 228.64(BP est) 43.67(MP est) ----(BP exp) ----(MP exp) IC1(CBr)CN1 43.7PredN
IC1C(CBr)N112820261.888C3H5BrIN2-(bromomethyl)-3-iodoaziridineN116IC1C(CBr)N1InChI=1S/C3H5BrIN/c4-1-2-3(5)6-2/h2-3,6H,1H2InChIKey=IWUABDORRMTJNG-UHFFFAOYSA-N233.0Ex 233.03(BP est) 43.94(MP est) ----(BP exp) ----(MP exp) IC1C(CBr)N1 43.9PredN
NC(I)(C1)(C1Br)12821261.888C3H5BrIN2-bromo-1-iodocyclopropan-1-amineN116NC(I)(C1)(C1Br)InChI=1S/C3H5BrIN/c4-2-1-3(2,5)6/h2H,1,6H2InChIKey=MAKLCVMXKMULCR-UHFFFAOYSA-N224.0Ex 223.95(BP est) 41.11(MP est) ----(BP exp) ----(MP exp) NC(I)(C1)(C1Br) 41.1PredN
NC(I)(C(Br)=C)12822261.888C3H5BrIN2-bromo-1-iodoprop-2-en-1-amineN116NC(I)(C(Br)=C)InChI=1S/C3H5BrIN/c1-2(4)3(5)6/h3H,1,6H2InChIKey=KORUVLAWDOPLOH-UHFFFAOYSA-N218.2Ex 218.22(BP est) 17.28(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Br)=C) 17.3PredN
BrC1(CI)CN112823261.888C3H5BrIN2-bromo-2-(iodomethyl)aziridineN116BrC1(CI)CN1InChI=1S/C3H5BrIN/c4-3(1-5)2-6-3/h6H,1-2H2InChIKey=MEEVEUIZGRTSDQ-UHFFFAOYSA-N228.6Ex 228.64(BP est) 43.67(MP est) ----(BP exp) ----(MP exp) BrC1(CI)CN1 43.7PredN
BrC1(I)C(C)N112824261.888C3H5BrIN2-bromo-2-iodo-3-methylaziridineN116BrC1(I)C(C)N1InChI=1S/C3H5BrIN/c1-2-3(4,5)6-2/h2,6H,1H3InChIKey=HDKDOURUWAEFIM-UHFFFAOYSA-N223.2Ex 223.22(BP est) 40.23(MP est) ----(BP exp) ----(MP exp) BrC1(I)C(C)N1 40.2PredN
BrC1(I)NCC112825261.888C3H5BrIN2-bromo-2-iodoazetidineN116BrC1(I)NCC1InChI=1S/C3H5BrIN/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=GFMKXNNRKJWUKL-UHFFFAOYSA-N230.3Ex 230.34(BP est) 43.53(MP est) ----(BP exp) ----(MP exp) BrC1(I)NCC1 43.5PredN
NC(C1)(C1(Br)I)12826261.888C3H5BrIN2-bromo-2-iodocyclopropan-1-amineN116NC(C1)(C1(Br)I)InChI=1S/C3H5BrIN/c4-3(5)1-2(3)6/h2H,1,6H2InChIKey=VUPLSPQZZQQDJC-UHFFFAOYSA-N224.0Ex 223.95(BP est) 41.11(MP est) ----(BP exp) ----(MP exp) NC(C1)(C1(Br)I) 41.1PredN
BrC1C(CI)N112827261.888C3H5BrIN2-bromo-3-(iodomethyl)aziridineN116BrC1C(CI)N1InChI=1S/C3H5BrIN/c4-3-2(1-5)6-3/h2-3,6H,1H2InChIKey=KNUJUCJNOHWTRY-UHFFFAOYSA-N233.0Ex 233.03(BP est) 43.94(MP est) ----(BP exp) ----(MP exp) BrC1C(CI)N1 43.9PredN
IC1C(Br)(C)N112828261.888C3H5BrIN2-bromo-3-iodo-2-methylaziridineN116IC1C(Br)(C)N1InChI=1S/C3H5BrIN/c1-3(4)2(5)6-3/h2,6H,1H3InChIKey=IOUVNQNAQIDKQL-UHFFFAOYSA-N223.2Ex 223.22(BP est) 40.23(MP est) ----(BP exp) ----(MP exp) IC1C(Br)(C)N1 40.2PredN
BrC1NCC1I12829261.888C3H5BrIN2-bromo-3-iodoazetidineN116BrC1NCC1IInChI=1S/C3H5BrIN/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=BEFMZTUZBFZGNX-UHFFFAOYSA-N234.7Ex 234.71(BP est) 43.42(MP est) ----(BP exp) ----(MP exp) BrC1NCC1I 43.4PredN
NC(C1Br)(C1I)12830261.888C3H5BrIN2-bromo-3-iodocyclopropan-1-amineN116NC(C1Br)(C1I)InChI=1S/C3H5BrIN/c4-1-2(5)3(1)6/h1-3H,6H2InChIKey=GSYZVQXWLRMNIW-UHFFFAOYSA-N228.4Ex 228.40(BP est) 33.46(MP est) ----(BP exp) ----(MP exp) NC(C1Br)(C1I) 33.5PredN
NC(C(Br)=CI)12831261.888C3H5BrIN2-bromo-3-iodoprop-2-en-1-amineN116NC(C(Br)=CI)InChI=1S/C3H5BrIN/c4-3(1-5)2-6/h1H,2,6H2InChIKey=HZWRCCIHJCHKQL-UHFFFAOYSA-N236.6Ex 236.57(BP est) 28.48(MP est) ----(BP exp) ----(MP exp) NC(C(Br)=CI) 28.5PredN
BrC1CC(I)N112832261.888C3H5BrIN2-bromo-4-iodoazetidineN116BrC1CC(I)N1InChI=1S/C3H5BrIN/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=CLQBMPZEBTYGFE-UHFFFAOYSA-N234.7Ex 234.71(BP est) 43.42(MP est) ----(BP exp) ----(MP exp) BrC1CC(I)N1 43.4PredN
NC(I)(C=CBr)12833261.888C3H5BrIN3-bromo-1-iodoprop-2-en-1-amineN116NC(I)(C=CBr)InChI=1S/C3H5BrIN/c4-2-1-3(5)6/h1-3H,6H2InChIKey=PMNKGGAXOJXFPZ-UHFFFAOYSA-N230.5Ex 230.52(BP est) 26.20(MP est) ----(BP exp) ----(MP exp) NC(I)(C=CBr) 26.2PredN
BrC1C(I)(C)N112834261.888C3H5BrIN3-bromo-2-iodo-2-methylaziridineN116BrC1C(I)(C)N1InChI=1S/C3H5BrIN/c1-3(5)2(4)6-3/h2,6H,1H3InChIKey=PFRIYBKORPIVRV-UHFFFAOYSA-N223.2Ex 223.22(BP est) 40.23(MP est) ----(BP exp) ----(MP exp) BrC1C(I)(C)N1 40.2PredN
IC1NCC1Br12835261.888C3H5BrIN3-bromo-2-iodoazetidineN116IC1NCC1BrInChI=1S/C3H5BrIN/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=NCPKNRUZXLFSFZ-UHFFFAOYSA-N234.7Ex 234.71(BP est) 43.42(MP est) ----(BP exp) ----(MP exp) IC1NCC1Br 43.4PredN
NC(C(I)=CBr)12836261.888C3H5BrIN3-bromo-2-iodoprop-2-en-1-amineN116NC(C(I)=CBr)InChI=1S/C3H5BrIN/c4-1-3(5)2-6/h1H,2,6H2InChIKey=SUBFNKWXVGGRNO-UHFFFAOYSA-N236.6Ex 236.57(BP est) 28.48(MP est) ----(BP exp) ----(MP exp) NC(C(I)=CBr) 28.5PredN
BrC1(I)CNC112837261.888C3H5BrIN3-bromo-3-iodoazetidineN116BrC1(I)CNC1InChI=1S/C3H5BrIN/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=WZACQVCUSBFYEW-UHFFFAOYSA-N230.3Ex 230.34(BP est) 43.53(MP est) ----(BP exp) ----(MP exp) BrC1(I)CNC1 43.5PredN
NC(C=C(Br)I)12838261.888C3H5BrIN3-bromo-3-iodoprop-2-en-1-amineN116NC(C=C(Br)I)InChI=1S/C3H5BrIN/c4-3(5)1-2-6/h1H,2,6H2InChIKey=ACRUIKZMJCDRQZ-UHFFFAOYSA-N236.6Ex 236.57(BP est) 28.48(MP est) ----(BP exp) ----(MP exp) NC(C=C(Br)I) 28.5PredN
BrC(C1I)=C1F12841262.848C3HBrFI1-bromo-2-fluoro-3-iodocycloprop-1-eneN76BrC(C1I)=C1FInChI=1S/C3HBrFI/c4-1-2(5)3(1)6/h3HInChIKey=JAEKGXHQZHSBOT-UHFFFAOYSA-N189.1Ex 189.14(BP est) 4.69(MP est) ----(BP exp) ----(MP exp) BrC(C1I)=C1F 4.7PredN
BrC(C1F)=C1I12842262.848C3HBrFI1-bromo-3-fluoro-2-iodocycloprop-1-eneN76BrC(C1F)=C1IInChI=1S/C3HBrFI/c4-1-2(5)3(1)6/h2HInChIKey=OOPVJOUNFGSVBI-UHFFFAOYSA-N189.1Ex 189.14(BP est) 4.69(MP est) ----(BP exp) ----(MP exp) BrC(C1F)=C1I 4.7PredN
BrC1=CC1(I)F12843262.848C3HBrFI1-bromo-3-fluoro-3-iodocycloprop-1-eneN76BrC1=CC1(I)FInChI=1S/C3HBrFI/c4-2-1-3(2,5)6/h1HInChIKey=OOCDOZYGOQHRBW-UHFFFAOYSA-N180.0Ex 180.04(BP est) 7.72(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(I)F 7.7PredN
C(F)(I)(C#CBr)12844262.848C3HBrFI1-bromo-3-fluoro-3-iodoprop-1-yneN76C(F)(I)(C#CBr)InChI=1S/C3HBrFI/c4-2-1-3(5)6/h3HInChIKey=SNCNYJOPGFLIOF-UHFFFAOYSA-N189.0Ex 188.97(BP est) 28.32(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C#CBr) 28.3PredN
IC(C1Br)=C1F12845262.848C3HBrFI3-bromo-1-fluoro-2-iodocycloprop-1-eneN76IC(C1Br)=C1FInChI=1S/C3HBrFI/c4-1-2(5)3(1)6/h1HInChIKey=WDSJXRRWNIAEQO-UHFFFAOYSA-N189.1Ex 189.14(BP est) 4.69(MP est) ----(BP exp) ----(MP exp) IC(C1Br)=C1F 4.7PredN
FC1=CC1(I)Br12846262.848C3HBrFI3-bromo-1-fluoro-3-iodocycloprop-1-eneN76FC1=CC1(I)BrInChI=1S/C3HBrFI/c4-3(6)1-2(3)5/h1HInChIKey=YTFJMVCDOZKHKS-UHFFFAOYSA-N180.0Ex 180.04(BP est) 7.72(MP est) ----(BP exp) ----(MP exp) FC1=CC1(I)Br 7.7PredN
C(Br)(I)(C#CF)12847262.848C3HBrFI3-bromo-1-fluoro-3-iodoprop-1-yneN76C(Br)(I)(C#CF)InChI=1S/C3HBrFI/c4-3(6)1-2-5/h3HInChIKey=QVCHJQAXJINMFP-UHFFFAOYSA-N189.0Ex 188.97(BP est) 28.32(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C#CF) 28.3PredN
IC1=CC1(F)Br12848262.848C3HBrFI3-bromo-3-fluoro-1-iodocycloprop-1-eneN76IC1=CC1(F)BrInChI=1S/C3HBrFI/c4-3(5)1-2(3)6/h1HInChIKey=HUEKGQLEXZHLAR-UHFFFAOYSA-N180.0Ex 180.04(BP est) 7.72(MP est) ----(BP exp) ----(MP exp) IC1=CC1(F)Br 7.7PredN
C(Br)(F)(C#CI)12849262.848C3HBrFI3-bromo-3-fluoro-1-iodoprop-1-yneN76C(Br)(F)(C#CI)InChI=1S/C3HBrFI/c4-3(5)1-2-6/h3HInChIKey=MHZGETRUAAEDMY-UHFFFAOYSA-N189.0Ex 188.97(BP est) 28.32(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C#CI) 28.3PredN
C(Br)(F)(I)(C#C)12850262.848C3HBrFI3-bromo-3-fluoro-3-iodoprop-1-yneN76C(Br)(F)(I)(C#C)InChI=1S/C3HBrFI/c1-2-3(4,5)6/h1HInChIKey=MKIMRRRACLFYKT-UHFFFAOYSA-N173.0Ex 173.00(BP est) 2.80(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(I)(C#C) 2.8PredN
C(Br)(I)OC=C12851262.872C3H4BrIO(bromoiodomethoxy)etheneN106C(Br)(I)OC=CInChI=1S/C3H4BrIO/c1-2-6-3(4)5/h2-3H,1H2InChIKey=WBJPCDJXUULBMN-UHFFFAOYSA-N191.9Ex 191.86(BP est) -13.95(MP est) ----(BP exp) ----(MP exp) C(Br)(I)OC=C -14PredN
C(Br)OC(I)=C12852262.872C3H4BrIO1-(bromomethoxy)-1-iodoetheneN106C(Br)OC(I)=CInChI=1S/C3H4BrIO/c1-3(5)6-2-4/h1-2H2InChIKey=SUAQKZDKCMLIAA-UHFFFAOYSA-N198.5Ex 198.50(BP est) -11.49(MP est) ----(BP exp) ----(MP exp) C(Br)OC(I)=C -11.5PredN
C(Br)OC=C(I)12853262.872C3H4BrIO1-(bromomethoxy)-2-iodoetheneN106C(Br)OC=C(I)InChI=1S/C3H4BrIO/c4-3-6-2-1-5/h1-2H,3H2InChIKey=LQSXPVALBPLRQZ-UHFFFAOYSA-N211.4Ex 211.41(BP est) -2.40(MP est) ----(BP exp) ----(MP exp) C(Br)OC=C(I) -2.4PredN
C(I)OC(Br)=C12854262.872C3H4BrIO1-bromo-1-(iodomethoxy)etheneN106C(I)OC(Br)=CInChI=1S/C3H4BrIO/c1-3(4)6-2-5/h1-2H2InChIKey=HYBGHTGKZFVJGQ-UHFFFAOYSA-N198.5Ex 198.50(BP est) -11.49(MP est) ----(BP exp) ----(MP exp) C(I)OC(Br)=C -11.5PredN
COC=C(Br)(I)12855262.872C3H4BrIO1-bromo-1-iodo-2-methoxyetheneN106COC=C(Br)(I)InChI=1S/C3H4BrIO/c1-6-2-3(4)5/h2H,1H3InChIKey=ARAVWIPFJQKPNQ-UHFFFAOYSA-N206.1Ex 206.08(BP est) -10.94(MP est) ----(BP exp) ----(MP exp) COC=C(Br)(I) -10.9PredN
CC(=O)C(Br)(I)12856262.872C3H4BrIO1-bromo-1-iodopropan-2-oneN106CC(=O)C(Br)(I)InChI=1S/C3H4BrIO/c1-2(6)3(4)5/h3H,1H3InChIKey=IJNNGMKCWUUJGY-UHFFFAOYSA-N211.5Ex 211.48(BP est) 6.51(MP est) ----(BP exp) ----(MP exp) CC(=O)C(Br)(I) 6.5PredN
C(I)OC=C(Br)12857262.872C3H4BrIO1-bromo-2-(iodomethoxy)etheneN106C(I)OC=C(Br)InChI=1S/C3H4BrIO/c4-1-2-6-3-5/h1-2H,3H2InChIKey=UCQGIAJESCIOIR-UHFFFAOYSA-N211.4Ex 211.41(BP est) -2.40(MP est) ----(BP exp) ----(MP exp) C(I)OC=C(Br) -2.4PredN
COC(Br)=C(I)12858262.872C3H4BrIO1-bromo-2-iodo-1-methoxyetheneN106COC(Br)=C(I)InChI=1S/C3H4BrIO/c1-6-3(4)2-5/h2H,1H3InChIKey=BKPDMUCKYACHER-UHFFFAOYSA-N206.1Ex 206.08(BP est) -10.94(MP est) ----(BP exp) ----(MP exp) COC(Br)=C(I) -10.9PredN
C(Br)C(=O)C(I)12859262.872C3H4BrIO1-bromo-3-iodopropan-2-oneN106C(Br)C(=O)C(I)InChI=1S/C3H4BrIO/c4-1-3(6)2-5/h1-2H2InChIKey=YMHCIXGATYNJNH-UHFFFAOYSA-N223.0Ex 223.00(BP est) 17.37(MP est) ----(BP exp) ----(MP exp) C(Br)C(=O)C(I) 17.4PredY(Gribble 2003)
BrC(I)C1CO112860262.872C3H4BrIO2-(bromoiodomethyl)oxiraneN106BrC(I)C1CO1InChI=1S/C3H4BrIO/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=FKCMMIAIBRUXBA-UHFFFAOYSA-N201.4Ex 201.41(BP est) 0.86(MP est) ----(BP exp) ----(MP exp) BrC(I)C1CO1 0.9PredN
IC1(CBr)CO112861262.872C3H4BrIO2-(bromomethyl)-2-iodooxiraneN106IC1(CBr)CO1InChI=1S/C3H4BrIO/c4-1-3(5)2-6-3/h1-2H2InChIKey=BEJCXOZRKMWQLY-UHFFFAOYSA-N202.9Ex 202.90(BP est) 20.75(MP est) ----(BP exp) ----(MP exp) IC1(CBr)CO1 20.8PredN
IC1C(CBr)O112862262.872C3H4BrIO2-(bromomethyl)-3-iodooxiraneN106IC1C(CBr)O1InChI=1S/C3H4BrIO/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=DTRRTAHWWOUXKG-UHFFFAOYSA-N207.6Ex 207.58(BP est) 8.04(MP est) ----(BP exp) ----(MP exp) IC1C(CBr)O1 8PredN
COC(I)=C(Br)12863262.872C3H4BrIO2-bromo-1-iodo-1-methoxyetheneN106COC(I)=C(Br)InChI=1S/C3H4BrIO/c1-6-3(5)2-4/h2H,1H3InChIKey=VMVRHMSBMMUYQD-UHFFFAOYSA-N206.1Ex 206.08(BP est) -10.94(MP est) ----(BP exp) ----(MP exp) COC(I)=C(Br) -10.9PredN
BrC1(CI)CO112864262.872C3H4BrIO2-bromo-2-(iodomethyl)oxiraneN106BrC1(CI)CO1InChI=1S/C3H4BrIO/c4-3(1-5)2-6-3/h1-2H2InChIKey=KWXWEHIXWUIWTG-UHFFFAOYSA-N202.9Ex 202.90(BP est) 20.75(MP est) ----(BP exp) ----(MP exp) BrC1(CI)CO1 20.8PredN
BrC1(I)C(C)O112865262.872C3H4BrIO2-bromo-2-iodo-3-methyloxiraneN106BrC1(I)C(C)O1InChI=1S/C3H4BrIO/c1-2-3(4,5)6-2/h2H,1H3InChIKey=IVEXTVMGNLARMR-UHFFFAOYSA-N197.1Ex 197.13(BP est) 16.94(MP est) ----(BP exp) ----(MP exp) BrC1(I)C(C)O1 16.9PredN
BrC1(I)OCC112866262.872C3H4BrIO2-bromo-2-iodooxetaneN106BrC1(I)OCC1InChI=1S/C3H4BrIO/c4-3(5)1-2-6-3/h1-2H2InChIKey=ZCZWKGRTLGIRRB-UHFFFAOYSA-N204.7Ex 204.71(BP est) 19.51(MP est) ----(BP exp) ----(MP exp) BrC1(I)OCC1 19.5PredN
C(=O)C(Br)(I)(C)12867262.872C3H4BrIO2-bromo-2-iodopropanalN106C(=O)C(Br)(I)(C)InChI=1S/C3H4BrIO/c1-3(4,5)2-6/h2H,1H3InChIKey=KAACFAXUAFCTJV-UHFFFAOYSA-N215.1Ex 215.06(BP est) 12.30(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(I)(C) 12.3PredN
BrC1C(CI)O112868262.872C3H4BrIO2-bromo-3-(iodomethyl)oxiraneN106BrC1C(CI)O1InChI=1S/C3H4BrIO/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=WTUUFYJIKCATOY-UHFFFAOYSA-N207.6Ex 207.58(BP est) 8.04(MP est) ----(BP exp) ----(MP exp) BrC1C(CI)O1 8PredN
IC1C(Br)(C)O112869262.872C3H4BrIO2-bromo-3-iodo-2-methyloxiraneN106IC1C(Br)(C)O1InChI=1S/C3H4BrIO/c1-3(4)2(5)6-3/h2H,1H3InChIKey=NRFBWJAPFVAOBF-UHFFFAOYSA-N197.1Ex 197.13(BP est) 16.94(MP est) ----(BP exp) ----(MP exp) IC1C(Br)(C)O1 16.9PredN
BrC1OCC1I12870262.872C3H4BrIO2-bromo-3-iodooxetaneN106BrC1OCC1IInChI=1S/C3H4BrIO/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=KBALCMQSAMMMMW-UHFFFAOYSA-N209.4Ex 209.37(BP est) 6.80(MP est) ----(BP exp) ----(MP exp) BrC1OCC1I 6.8PredN
C(=O)C(Br)(CI)12871262.872C3H4BrIO2-bromo-3-iodopropanalN106C(=O)C(Br)(CI)InChI=1S/C3H4BrIO/c4-3(1-5)2-6/h2-3H,1H2InChIKey=NUGJMLSCRBVNST-UHFFFAOYSA-N222.6Ex 222.60(BP est) 5.79(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(CI) 5.8PredN
BrC1CC(I)O112872262.872C3H4BrIO2-bromo-4-iodooxetaneN106BrC1CC(I)O1InChI=1S/C3H4BrIO/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=ZRKXXYJUDOKXBW-UHFFFAOYSA-N209.4Ex 209.37(BP est) 6.80(MP est) ----(BP exp) ----(MP exp) BrC1CC(I)O1 6.8PredN
BrC1C(I)(C)O112873262.872C3H4BrIO3-bromo-2-iodo-2-methyloxiraneN106BrC1C(I)(C)O1InChI=1S/C3H4BrIO/c1-3(5)2(4)6-3/h2H,1H3InChIKey=WXININSVHXVAJH-UHFFFAOYSA-N197.1Ex 197.13(BP est) 16.94(MP est) ----(BP exp) ----(MP exp) BrC1C(I)(C)O1 16.9PredN
IC1OCC1Br12874262.872C3H4BrIO3-bromo-2-iodooxetaneN106IC1OCC1BrInChI=1S/C3H4BrIO/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=ZIXWIGZJSMUHMH-UHFFFAOYSA-N209.4Ex 209.37(BP est) 6.80(MP est) ----(BP exp) ----(MP exp) IC1OCC1Br 6.8PredN
C(=O)C(I)(CBr)12875262.872C3H4BrIO3-bromo-2-iodopropanalN106C(=O)C(I)(CBr)InChI=1S/C3H4BrIO/c4-1-3(5)2-6/h2-3H,1H2InChIKey=JNJIVBLFMURFBI-UHFFFAOYSA-N222.6Ex 222.60(BP est) 5.79(MP est) ----(BP exp) ----(MP exp) C(=O)C(I)(CBr) 5.8PredN
BrC1(I)COC112876262.872C3H4BrIO3-bromo-3-iodooxetaneN106BrC1(I)COC1InChI=1S/C3H4BrIO/c4-3(5)1-6-2-3/h1-2H2InChIKey=KNYIAXZJORKCLQ-UHFFFAOYSA-N204.7Ex 204.71(BP est) 19.51(MP est) ----(BP exp) ----(MP exp) BrC1(I)COC1 19.5PredN
C(=O)C(C(Br)I)12877262.872C3H4BrIO3-bromo-3-iodopropanalN106C(=O)C(C(Br)I)InChI=1S/C3H4BrIO/c4-3(5)1-2-6/h2-3H,1H2InChIKey=OYJUGWCVHQQDCZ-UHFFFAOYSA-N222.6Ex 222.60(BP est) 5.79(MP est) ----(BP exp) ----(MP exp) C(=O)C(C(Br)I) 5.8PredN
BrC(S1)=C1I12878262.89C2BrIS2-bromo-3-iodothiireneN55BrC(S1)=C1IInChI=1S/C2BrIS/c3-1-2(4)5-1InChIKey=FVBFRMXUIMWSLQ-UHFFFAOYSA-N227.2Ex 227.18(BP est) 40.14(MP est) ----(BP exp) ----(MP exp) BrC(S1)=C1I 40.1PredN
C(C)(C)(C(Br)I)12879262.916C4H8BrI1-bromo-1-iodo-2-methylpropaneN146C(C)(C)(C(Br)I)InChI=1S/C4H8BrI/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=OSHKQSLHAHMOPB-UHFFFAOYSA-N180.2Ex 180.22(BP est) -29.45(MP est) ----(BP exp) ----(MP exp) C(C)(C)(C(Br)I) -29.5PredN
C(CCC(Br)I)12880262.916C4H8BrI1-bromo-1-iodobutaneN146C(CCC(Br)I)InChI=1S/C4H8BrI/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=SCFHQTNCYVPQIS-UHFFFAOYSA-N192.6Ex 192.59(BP est) -18.33(MP est) ----(BP exp) ----(MP exp) C(CCC(Br)I) -18.3PredN
C(I)(C)(C)(CBr)12881262.916C4H8BrI1-bromo-2-iodo-2-methylpropaneN146C(I)(C)(C)(CBr)InChI=1S/C4H8BrI/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=WBGDOKWPTORSSK-UHFFFAOYSA-N184.5Ex 184.49(BP est) -11.99(MP est) ----(BP exp) ----(MP exp) C(I)(C)(C)(CBr) -12PredN
C(CC(I)CBr)12882262.916C4H8BrI1-bromo-2-iodobutaneN146C(CC(I)CBr)InChI=1S/C4H8BrI/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=RVEJZBIPHJKAMS-UHFFFAOYSA-N192.6Ex 192.59(BP est) -18.33(MP est) ----(BP exp) ----(MP exp) C(CC(I)CBr) -18.3PredN
C(C)(CBr)(CI)12883262.916C4H8BrI1-bromo-3-iodo-2-methylpropaneN146C(C)(CBr)(CI)InChI=1S/C4H8BrI/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=IZSFJAOOKDDXPD-UHFFFAOYSA-N192.6Ex 192.59(BP est) -18.33(MP est) ----(BP exp) ----(MP exp) C(C)(CBr)(CI) -18.3PredN
C(C(I)CCBr)12884262.916C4H8BrI1-bromo-3-iodobutaneN146C(C(I)CCBr)InChI=1S/C4H8BrI/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=BSRKKDMDRAVELS-UHFFFAOYSA-N192.6Ex 192.59(BP est) -18.33(MP est) ----(BP exp) ----(MP exp) C(C(I)CCBr) -18.3PredN
C(Br)(CCCI)12885262.916C4H8BrI1-bromo-4-iodobutaneN146C(Br)(CCCI)InChI=1S/C4H8BrI/c5-3-1-2-4-6/h1-4H2InChIKey=GFKIYVSAPHPZEJ-UHFFFAOYSA-N204.6Ex 204.63(BP est) -7.32(MP est) ----(BP exp) ----(MP exp) C(Br)(CCCI) -7.3PredN
C(Br)(C)(C)(CI)12886262.916C4H8BrI2-bromo-1-iodo-2-methylpropaneN146C(Br)(C)(C)(CI)InChI=1S/C4H8BrI/c1-4(2,5)3-6/h3H2,1-2H3InChIKey=GRQPCHJPHICUBD-UHFFFAOYSA-N184.5Ex 184.49(BP est) -11.99(MP est) ----(BP exp) ----(MP exp) C(Br)(C)(C)(CI) -12PredN
C(CC(Br)CI)12887262.916C4H8BrI2-bromo-1-iodobutaneN146C(CC(Br)CI)InChI=1S/C4H8BrI/c1-2-4(5)3-6/h4H,2-3H2,1H3InChIKey=HYESVVKSUYUZKJ-UHFFFAOYSA-N192.6Ex 192.59(BP est) -18.33(MP est) ----(BP exp) ----(MP exp) C(CC(Br)CI) -18.3PredN
C(CC(Br)(I)C)12888262.916C4H8BrI2-bromo-2-iodobutaneN146C(CC(Br)(I)C)InChI=1S/C4H8BrI/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=TXALCGMDRUHIQR-UHFFFAOYSA-N184.5Ex 184.49(BP est) -11.99(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(I)C) -12PredN
C(C(Br)C(I)C)12889262.916C4H8BrI2-bromo-3-iodobutaneN146C(C(Br)C(I)C)InChI=1S/C4H8BrI/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=VWEWOMYDQHXLLI-UHFFFAOYSA-N180.2Ex 180.22(BP est) -29.45(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(I)C) -29.5PredN
C(C(Br)CCI)12890262.916C4H8BrI3-bromo-1-iodobutaneN146C(C(Br)CCI)InChI=1S/C4H8BrI/c1-4(5)2-3-6/h4H,2-3H2,1H3InChIKey=MYDTWEPVWDLOSH-UHFFFAOYSA-N192.6Ex 192.59(BP est) -18.33(MP est) ----(BP exp) ----(MP exp) C(C(Br)CCI) -18.3PredN
BrC(C(N)=O)I12892263.86C2H3BrINO2-bromo-2-iodoacetamideN96BrC(C(N)=O)IInChI=1S/C2H3BrINO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=XQMKVQDLGURGON-UHFFFAOYSA-N306.6Ex 306.59(BP est) 93.29(MP est) ----(BP exp) ----(MP exp) BrC(C(N)=O)I 93.3PredY(Kladi et al. 2004)
BrC1(I)N(O)C112893263.86C2H3BrINO2-bromo-2-iodoaziridin-1-olN96BrC1(I)N(O)C1InChI=1S/C2H3BrINO/c3-2(4)1-5(2)6/h6H,1H2InChIKey=SOAMLKDRHUZTTQ-UHFFFAOYSA-N310.4Ex 310.36(BP est) 92.31(MP est) ----(BP exp) ----(MP exp) BrC1(I)N(O)C1 92.3PredN
BrC1(I)NOC112894263.86C2H3BrINO3-bromo-3-iodo-1,2-oxazetidineN96BrC1(I)NOC1InChI=1S/C2H3BrINO/c3-2(4)1-6-5-2/h5H,1H2InChIKey=RVNGWAYTAHIWJK-UHFFFAOYSA-N235.3Ex 235.30(BP est) 49.53(MP est) ----(BP exp) ----(MP exp) BrC1(I)NOC1 49.5PredN
BrC1NOC1I12895263.86C2H3BrINO3-bromo-4-iodo-1,2-oxazetidineN96BrC1NOC1IInChI=1S/C2H3BrINO/c3-1-2(4)6-5-1/h1-2,5HInChIKey=PZNGNBCJXFJVLU-UHFFFAOYSA-N239.6Ex 239.61(BP est) 50.42(MP est) ----(BP exp) ----(MP exp) BrC1NOC1I 50.4PredN
IC1NOC1Br12896263.86C2H3BrINO4-bromo-3-iodo-1,2-oxazetidineN96IC1NOC1BrInChI=1S/C2H3BrINO/c3-1-2(4)5-6-1/h1-2,5HInChIKey=JDLRAKPBPZRNIO-UHFFFAOYSA-N239.6Ex 239.61(BP est) 50.42(MP est) ----(BP exp) ----(MP exp) IC1NOC1Br 50.4PredN
BrC1(I)CNO112897263.86C2H3BrINO4-bromo-4-iodo-1,2-oxazetidineN96BrC1(I)CNO1InChI=1S/C2H3BrINO/c3-2(4)1-5-6-2/h5H,1H2InChIKey=RCJIKQHIKWYCCR-UHFFFAOYSA-N235.3Ex 235.30(BP est) 49.53(MP est) ----(BP exp) ----(MP exp) BrC1(I)CNO1 49.5PredN
NOC(Br)=CI12898263.86C2H3BrINOO-(1-bromo-2-iodovinyl)hydroxylamineN96NOC(Br)=CIInChI=1S/C2H3BrINO/c3-2(1-4)6-5/h1H,5H2InChIKey=PYBSEMUKWQHATP-UHFFFAOYSA-N237.3Ex 237.27(BP est) 34.17(MP est) ----(BP exp) ----(MP exp) NOC(Br)=CI 34.2PredN
NOC(I)=CBr12899263.86C2H3BrINOO-(2-bromo-1-iodovinyl)hydroxylamineN96NOC(I)=CBrInChI=1S/C2H3BrINO/c3-1-2(4)6-5/h1H,5H2InChIKey=OAXWFQBFJNQLGV-UHFFFAOYSA-N237.3Ex 237.27(BP est) 34.17(MP est) ----(BP exp) ----(MP exp) NOC(I)=CBr 34.2PredN
NOC=C(I)Br12900263.86C2H3BrINOO-(2-bromo-2-iodovinyl)hydroxylamineN96NOC=C(I)BrInChI=1S/C2H3BrINO/c3-2(4)1-6-5/h1H,5H2InChIKey=YJGHFRYQFGQTIE-UHFFFAOYSA-N237.3Ex 237.27(BP est) 34.17(MP est) ----(BP exp) ----(MP exp) NOC=C(I)Br 34.2PredN
CN(C)C(Br)(I)12901263.904C3H7BrIN1-bromo-1-iodo-N,N-dimethylmethanamineN136CN(C)C(Br)(I)InChI=1S/C3H7BrIN/c1-6(2)3(4)5/h3H,1-2H3InChIKey=MFVZWLHBHRHFPL-UHFFFAOYSA-N192.0Ex 192.02(BP est) -7.90(MP est) ----(BP exp) ----(MP exp) CN(C)C(Br)(I) -7.9PredN
CNC(Br)(I)(C)12902263.904C3H7BrIN1-bromo-1-iodo-N-methylethan-1-amineN136CNC(Br)(I)(C)InChI=1S/C3H7BrIN/c1-3(4,5)6-2/h6H,1-2H3InChIKey=NVRRFRYEOZHTKZ-UHFFFAOYSA-N202.1Ex 202.07(BP est) 13.84(MP est) ----(BP exp) ----(MP exp) CNC(Br)(I)(C) 13.8PredN
NC(Br)(I)(CC)12903263.904C3H7BrIN1-bromo-1-iodopropan-1-amineN136NC(Br)(I)(CC)InChI=1S/C3H7BrIN/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=HOHKKVKFHCQXGS-UHFFFAOYSA-N217.3Ex 217.29(BP est) 26.79(MP est) ----(BP exp) ----(MP exp) NC(Br)(I)(CC) 26.8PredN
NC(C)(C(Br)I)12904263.904C3H7BrIN1-bromo-1-iodopropan-2-amineN136NC(C)(C(Br)I)InChI=1S/C3H7BrIN/c1-2(6)3(4)5/h2-3H,6H2,1H3InChIKey=CWWNGEINTHCOSE-UHFFFAOYSA-N213.3Ex 213.32(BP est) 16.21(MP est) ----(BP exp) ----(MP exp) NC(C)(C(Br)I) 16.2PredN
CNC(Br)(CI)12905263.904C3H7BrIN1-bromo-2-iodo-N-methylethan-1-amineN136CNC(Br)(CI)InChI=1S/C3H7BrIN/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=GPWZQOVWSGQXDV-UHFFFAOYSA-N209.9Ex 209.85(BP est) 7.40(MP est) ----(BP exp) ----(MP exp) CNC(Br)(CI) 7.4PredN
NC(Br)(C(I)C)12906263.904C3H7BrIN1-bromo-2-iodopropan-1-amineN136NC(Br)(C(I)C)InChI=1S/C3H7BrIN/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=UZIXVWBXZWGNIV-UHFFFAOYSA-N213.3Ex 213.32(BP est) 16.21(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(I)C) 16.2PredN
NC(I)(C)(CBr)12907263.904C3H7BrIN1-bromo-2-iodopropan-2-amineN136NC(I)(C)(CBr)InChI=1S/C3H7BrIN/c1-3(5,6)2-4/h2,6H2,1H3InChIKey=ZRBVANUPGCNRIT-UHFFFAOYSA-N217.3Ex 217.29(BP est) 26.79(MP est) ----(BP exp) ----(MP exp) NC(I)(C)(CBr) 26.8PredN
NC(Br)(CCI)12908263.904C3H7BrIN1-bromo-3-iodopropan-1-amineN136NC(Br)(CCI)InChI=1S/C3H7BrIN/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=OHLDYTKNEAINCN-UHFFFAOYSA-N224.8Ex 224.79(BP est) 27.06(MP est) ----(BP exp) ----(MP exp) NC(Br)(CCI) 27.1PredN
NC(CBr)(CI)12909263.904C3H7BrIN1-bromo-3-iodopropan-2-amineN136NC(CBr)(CI)InChI=1S/C3H7BrIN/c4-1-3(6)2-5/h3H,1-2,6H2InChIKey=VRINQABWWBAOPC-UHFFFAOYSA-N224.8Ex 224.79(BP est) 27.06(MP est) ----(BP exp) ----(MP exp) NC(CBr)(CI) 27.1PredN
C(I)NC(Br)(C)12910263.904C3H7BrIN1-bromo-N-(iodomethyl)ethan-1-amineN136C(I)NC(Br)(C)InChI=1S/C3H7BrIN/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=TUPBUWHJSBSNME-UHFFFAOYSA-N209.9Ex 209.85(BP est) 7.40(MP est) ----(BP exp) ----(MP exp) C(I)NC(Br)(C) 7.4PredN
CN(C(Br))C(I)12911263.904C3H7BrIN1-bromo-N-(iodomethyl)-N-methylmethanamineN136CN(C(Br))C(I)InChI=1S/C3H7BrIN/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=XDWFYKAAFULHJT-UHFFFAOYSA-N204.1Ex 204.07(BP est) 3.12(MP est) ----(BP exp) ----(MP exp) CN(C(Br))C(I) 3.1PredN
CNC(I)(CBr)12912263.904C3H7BrIN2-bromo-1-iodo-N-methylethan-1-amineN136CNC(I)(CBr)InChI=1S/C3H7BrIN/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=XGLDQCVMCQAVHH-UHFFFAOYSA-N209.9Ex 209.85(BP est) 7.40(MP est) ----(BP exp) ----(MP exp) CNC(I)(CBr) 7.4PredN
NC(I)(C(Br)C)12913263.904C3H7BrIN2-bromo-1-iodopropan-1-amineN136NC(I)(C(Br)C)InChI=1S/C3H7BrIN/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=GSUPAVDEDTYGES-UHFFFAOYSA-N213.3Ex 213.32(BP est) 16.21(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Br)C) 16.2PredN
NC(Br)(C)(CI)12914263.904C3H7BrIN2-bromo-1-iodopropan-2-amineN136NC(Br)(C)(CI)InChI=1S/C3H7BrIN/c1-3(4,6)2-5/h2,6H2,1H3InChIKey=RIGZYINVEAIRLT-UHFFFAOYSA-N217.3Ex 217.29(BP est) 26.79(MP est) ----(BP exp) ----(MP exp) NC(Br)(C)(CI) 26.8PredN
CNC(C(Br)I)12915263.904C3H7BrIN2-bromo-2-iodo-N-methylethan-1-amineN136CNC(C(Br)I)InChI=1S/C3H7BrIN/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=NMWDGUQAXWOMAN-UHFFFAOYSA-N209.9Ex 209.85(BP est) 7.40(MP est) ----(BP exp) ----(MP exp) CNC(C(Br)I) 7.4PredN
NC(C(Br)(I)C)12916263.904C3H7BrIN2-bromo-2-iodopropan-1-amineN136NC(C(Br)(I)C)InChI=1S/C3H7BrIN/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=RCYPZCWYEHLRGN-UHFFFAOYSA-N217.3Ex 217.29(BP est) 26.79(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(I)C) 26.8PredN
NC(C(Br)CI)12917263.904C3H7BrIN2-bromo-3-iodopropan-1-amineN136NC(C(Br)CI)InChI=1S/C3H7BrIN/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=ASIIQBNCNZTWRN-UHFFFAOYSA-N224.8Ex 224.79(BP est) 27.06(MP est) ----(BP exp) ----(MP exp) NC(C(Br)CI) 27.1PredN
C(I)NC(CBr)12918263.904C3H7BrIN2-bromo-N-(iodomethyl)ethan-1-amineN136C(I)NC(CBr)InChI=1S/C3H7BrIN/c4-1-2-6-3-5/h6H,1-3H2InChIKey=CDAHEDLECJJIPN-UHFFFAOYSA-N221.4Ex 221.42(BP est) 18.28(MP est) ----(BP exp) ----(MP exp) C(I)NC(CBr) 18.3PredN
NC(I)(CCBr)12919263.904C3H7BrIN3-bromo-1-iodopropan-1-amineN136NC(I)(CCBr)InChI=1S/C3H7BrIN/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=WJVHGILYTSQWEZ-UHFFFAOYSA-N224.8Ex 224.79(BP est) 27.06(MP est) ----(BP exp) ----(MP exp) NC(I)(CCBr) 27.1PredN
NC(C(I)CBr)12920263.904C3H7BrIN3-bromo-2-iodopropan-1-amineN136NC(C(I)CBr)InChI=1S/C3H7BrIN/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=HBWHHCDZYJUTOY-UHFFFAOYSA-N224.8Ex 224.79(BP est) 27.06(MP est) ----(BP exp) ----(MP exp) NC(C(I)CBr) 27.1PredN
NC(CC(Br)I)12921263.904C3H7BrIN3-bromo-3-iodopropan-1-amineN136NC(CC(Br)I)InChI=1S/C3H7BrIN/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=HUXOQVWBDKHNEN-UHFFFAOYSA-N224.8Ex 224.79(BP est) 27.06(MP est) ----(BP exp) ----(MP exp) NC(CC(Br)I) 27.1PredN
C(Br)(I)NC(C)12922263.904C3H7BrINN-(bromoiodomethyl)ethanamineN136C(Br)(I)NC(C)InChI=1S/C3H7BrIN/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=HVMSUMVUHDBYIL-UHFFFAOYSA-N209.9Ex 209.85(BP est) 7.40(MP est) ----(BP exp) ----(MP exp) C(Br)(I)NC(C) 7.4PredN
C(Br)NC(I)(C)12923263.904C3H7BrINN-(bromomethyl)-1-iodoethan-1-amineN136C(Br)NC(I)(C)InChI=1S/C3H7BrIN/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=NZXOBDNZGLYFFJ-UHFFFAOYSA-N209.9Ex 209.85(BP est) 7.40(MP est) ----(BP exp) ----(MP exp) C(Br)NC(I)(C) 7.4PredN
C(Br)NC(CI)12924263.904C3H7BrINN-(bromomethyl)-2-iodoethan-1-amineN136C(Br)NC(CI)InChI=1S/C3H7BrIN/c4-3-6-2-1-5/h6H,1-3H2InChIKey=CLUXMRPTLNLOQY-UHFFFAOYSA-N221.4Ex 221.42(BP est) 18.28(MP est) ----(BP exp) ----(MP exp) C(Br)NC(CI) 18.3PredN
C(Br)=C(Br)(Br)12926264.742C2HBr31,1,2-tribromoetheneN65C(Br)=C(Br)(Br)InChI=1S/C2HBr3/c3-1-2(4)5/h1HInChIKey=OZVJKTHTULCNHB-UHFFFAOYSA-N162.5Ex 200.99(BP est) 1.60(MP est) 164.00(BP exp) ----(MP exp) C(Br)=C(Br)(Br) 1.6PredY(Gribble 2009)
PC(Br)=CI12927264.828C2H3BrIP(1-bromo-2-iodovinyl)phosphaneN85PC(Br)=CIInChI=1S/C2H3BrIP/c3-2(5)1-4/h1H,5H2InChIKey=XDYXSTPPXWEVGB-UHFFFAOYSA-N215.7Ex 215.67(BP est) -9.20(MP est) ----(BP exp) ----(MP exp) PC(Br)=CI -9.2PredN
PC(I)=CBr12928264.828C2H3BrIP(2-bromo-1-iodovinyl)phosphaneN85PC(I)=CBrInChI=1S/C2H3BrIP/c3-1-2(4)5/h1H,5H2InChIKey=BOLPLDIWXBWDPW-UHFFFAOYSA-N215.7Ex 215.67(BP est) -9.20(MP est) ----(BP exp) ----(MP exp) PC(I)=CBr -9.2PredN
PC=C(Br)I12929264.828C2H3BrIP(2-bromo-2-iodovinyl)phosphaneN85PC=C(Br)IInChI=1S/C2H3BrIP/c3-2(4)1-5/h1H,5H2InChIKey=NXVQWXJLFBIJGX-UHFFFAOYSA-N215.7Ex 215.67(BP est) -9.20(MP est) ----(BP exp) ----(MP exp) PC=C(Br)I -9.2PredN
BrC1(I)CP112930264.828C2H3BrIP2-bromo-2-iodophosphiraneN85BrC1(I)CP1InChI=1S/C2H3BrIP/c3-2(4)1-5-2/h5H,1H2InChIKey=HPKXSAJNLFZLAU-UHFFFAOYSA-N189.1Ex 189.08(BP est) 7.05(MP est) ----(BP exp) ----(MP exp) BrC1(I)CP1 7.1PredN
BrC1C(I)P112931264.828C2H3BrIP2-bromo-3-iodophosphiraneN85BrC1C(I)P1InChI=1S/C2H3BrIP/c3-1-2(4)5-1/h1-2,5HInChIKey=VULIFDKZPKHXCJ-UHFFFAOYSA-N193.9Ex 193.91(BP est) -5.61(MP est) ----(BP exp) ----(MP exp) BrC1C(I)P1 -5.6PredN
O=C(O)C(I)Br12932264.844C2H2BrIO22-bromo-2-iodoacetic acidN86O=C(O)C(I)BrInChI=1S/C2H2BrIO2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=PMJXOVYMFHLFDD-UHFFFAOYSA-N268.1Ex 268.07(BP est) 62.78(MP est) ----(BP exp) ----(MP exp) O=C(O)C(I)Br 62.8PredY(Kladi et al. 2004)
C(C1I)(C1(Br)F)12933264.864C3H3BrFI1-bromo-1-fluoro-2-iodocyclopropaneN96C(C1I)(C1(Br)F)InChI=1S/C3H3BrFI/c4-3(5)1-2(3)6/h2H,1H2InChIKey=GJNJVYMVUXNVKH-UHFFFAOYSA-N173.0Ex 173.02(BP est) -3.09(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1(Br)F) -3.1PredN
C(C(I)=C(Br)F)12934264.864C3H3BrFI1-bromo-1-fluoro-2-iodoprop-1-eneN96C(C(I)=C(Br)F)InChI=1S/C3H3BrFI/c1-2(6)3(4)5/h1H3InChIKey=XHGMQEDVOPCZLO-UHFFFAOYSA-N181.6Ex 181.58(BP est) -35.89(MP est) ----(BP exp) ----(MP exp) C(C(I)=C(Br)F) -35.9PredN
C(I)(C=C(Br)F)12935264.864C3H3BrFI1-bromo-1-fluoro-3-iodoprop-1-eneN96C(I)(C=C(Br)F)InChI=1S/C3H3BrFI/c4-3(5)1-2-6/h1H,2H2InChIKey=GVFDUPNNRFTERD-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(I)(C=C(Br)F) -27.3PredN
C(C1F)(C1(Br)I)12936264.864C3H3BrFI1-bromo-2-fluoro-1-iodocyclopropaneN96C(C1F)(C1(Br)I)InChI=1S/C3H3BrFI/c4-3(6)1-2(3)5/h2H,1H2InChIKey=VQMHGRNCFUOBAY-UHFFFAOYSA-N173.0Ex 173.02(BP est) -3.09(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(Br)I) -3.1PredN
C(C(F)=C(Br)I)12937264.864C3H3BrFI1-bromo-2-fluoro-1-iodoprop-1-eneN96C(C(F)=C(Br)I)InChI=1S/C3H3BrFI/c1-2(5)3(4)6/h1H3InChIKey=GWFNXALUWUPCIR-UHFFFAOYSA-N181.6Ex 181.58(BP est) -35.89(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(Br)I) -35.9PredN
C(Br)(C1I)(C1F)12938264.864C3H3BrFI1-bromo-2-fluoro-3-iodocyclopropaneN96C(Br)(C1I)(C1F)InChI=1S/C3H3BrFI/c4-1-2(5)3(1)6/h1-3HInChIKey=UATMLKNGOVMNOB-UHFFFAOYSA-N178.0Ex 178.01(BP est) -15.70(MP est) ----(BP exp) ----(MP exp) C(Br)(C1I)(C1F) -15.7PredN
C(I)(C(F)=CBr)12939264.864C3H3BrFI1-bromo-2-fluoro-3-iodoprop-1-eneN96C(I)(C(F)=CBr)InChI=1S/C3H3BrFI/c4-1-3(5)2-6/h1H,2H2InChIKey=KVADAGQTCULDNI-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)=CBr) -27.3PredN
C(F)(C=C(Br)I)12940264.864C3H3BrFI1-bromo-3-fluoro-1-iodoprop-1-eneN96C(F)(C=C(Br)I)InChI=1S/C3H3BrFI/c4-3(6)1-2-5/h1H,2H2InChIKey=PBEZLQXCSJJNAV-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(Br)I) -27.3PredN
C(F)(C(I)=CBr)12941264.864C3H3BrFI1-bromo-3-fluoro-2-iodoprop-1-eneN96C(F)(C(I)=CBr)InChI=1S/C3H3BrFI/c4-1-3(6)2-5/h1H,2H2InChIKey=NEFBDNZRBROKDM-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)=CBr) -27.3PredN
C(F)(I)(C=CBr)12942264.864C3H3BrFI1-bromo-3-fluoro-3-iodoprop-1-eneN96C(F)(I)(C=CBr)InChI=1S/C3H3BrFI/c4-2-1-3(5)6/h1-3HInChIKey=FZWSECIZRVETEL-UHFFFAOYSA-N180.4Ex 180.40(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C=CBr) -29.8PredN
C(C1Br)(C1(F)I)12943264.864C3H3BrFI2-bromo-1-fluoro-1-iodocyclopropaneN96C(C1Br)(C1(F)I)InChI=1S/C3H3BrFI/c4-2-1-3(2,5)6/h2H,1H2InChIKey=NSXXFZIWFXVFOL-UHFFFAOYSA-N173.0Ex 173.02(BP est) -3.09(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1(F)I) -3.1PredN
C(C(Br)=C(F)I)12944264.864C3H3BrFI2-bromo-1-fluoro-1-iodoprop-1-eneN96C(C(Br)=C(F)I)InChI=1S/C3H3BrFI/c1-2(4)3(5)6/h1H3InChIKey=SZILKPDREFRJPI-UHFFFAOYSA-N181.6Ex 181.58(BP est) -35.89(MP est) ----(BP exp) ----(MP exp) C(C(Br)=C(F)I) -35.9PredN
C(I)(C(Br)=CF)12945264.864C3H3BrFI2-bromo-1-fluoro-3-iodoprop-1-eneN96C(I)(C(Br)=CF)InChI=1S/C3H3BrFI/c4-3(1-5)2-6/h1H,2H2InChIKey=KUOJJLKRCQWWTA-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)=CF) -27.3PredN
C(F)(C(Br)=CI)12946264.864C3H3BrFI2-bromo-3-fluoro-1-iodoprop-1-eneN96C(F)(C(Br)=CI)InChI=1S/C3H3BrFI/c4-3(1-5)2-6/h2H,1H2InChIKey=GOMCNGGPHUFGIM-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)=CI) -27.3PredN
C(F)(I)(C(Br)=C)12947264.864C3H3BrFI2-bromo-3-fluoro-3-iodoprop-1-eneN96C(F)(I)(C(Br)=C)InChI=1S/C3H3BrFI/c1-2(4)3(5)6/h3H,1H2InChIKey=OOWIQAHJNUYKSA-UHFFFAOYSA-N166.6Ex 166.58(BP est) -39.13(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C(Br)=C) -39.1PredN
C(Br)(C=C(F)I)12948264.864C3H3BrFI3-bromo-1-fluoro-1-iodoprop-1-eneN96C(Br)(C=C(F)I)InChI=1S/C3H3BrFI/c4-2-1-3(5)6/h1H,2H2InChIKey=NHUMBMLMDPRNFE-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(Br)(C=C(F)I) -27.3PredN
C(Br)(C(I)=CF)12949264.864C3H3BrFI3-bromo-1-fluoro-2-iodoprop-1-eneN96C(Br)(C(I)=CF)InChI=1S/C3H3BrFI/c4-1-3(6)2-5/h2H,1H2InChIKey=BCEUPVDSHHXBHI-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(Br)(C(I)=CF) -27.3PredN
C(Br)(I)(C=CF)12950264.864C3H3BrFI3-bromo-1-fluoro-3-iodoprop-1-eneN96C(Br)(I)(C=CF)InChI=1S/C3H3BrFI/c4-3(6)1-2-5/h1-3HInChIKey=PWUNTPXKVQKBFM-UHFFFAOYSA-N180.4Ex 180.40(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C=CF) -29.8PredN
C(Br)(C(F)=CI)12951264.864C3H3BrFI3-bromo-2-fluoro-1-iodoprop-1-eneN96C(Br)(C(F)=CI)InChI=1S/C3H3BrFI/c4-1-3(5)2-6/h2H,1H2InChIKey=IAVQMLNHTMOCJC-UHFFFAOYSA-N187.2Ex 187.21(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)=CI) -27.3PredN
C(Br)(I)(C(F)=C)12952264.864C3H3BrFI3-bromo-2-fluoro-3-iodoprop-1-eneN96C(Br)(I)(C(F)=C)InChI=1S/C3H3BrFI/c1-2(5)3(4)6/h3H,1H2InChIKey=WCTZSKQLBGPSLW-UHFFFAOYSA-N166.6Ex 166.58(BP est) -39.13(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C(F)=C) -39.1PredN
C(Br)(F)(C=CI)12953264.864C3H3BrFI3-bromo-3-fluoro-1-iodoprop-1-eneN96C(Br)(F)(C=CI)InChI=1S/C3H3BrFI/c4-3(5)1-2-6/h1-3HInChIKey=DOJROTCJKKTICJ-UHFFFAOYSA-N180.4Ex 180.40(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C=CI) -29.8PredN
C(Br)(F)(C(I)=C)12954264.864C3H3BrFI3-bromo-3-fluoro-2-iodoprop-1-eneN96C(Br)(F)(C(I)=C)InChI=1S/C3H3BrFI/c1-2(6)3(4)5/h3H,1H2InChIKey=LJDNDSRCCNKRLH-UHFFFAOYSA-N166.6Ex 166.58(BP est) -39.13(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C(I)=C) -39.1PredN
C(Br)(F)(I)(C=C)12955264.864C3H3BrFI3-bromo-3-fluoro-3-iodoprop-1-eneN96C(Br)(F)(I)(C=C)InChI=1S/C3H3BrFI/c1-2-3(4,5)6/h2H,1H2InChIKey=RSUCNSBXOXAFFJ-UHFFFAOYSA-N163.9Ex 163.93(BP est) -24.21(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(I)(C=C) -24.2PredN
C(Br)(I)OC(C)12956264.888C3H6BrIO(bromoiodomethoxy)ethaneN126C(Br)(I)OC(C)InChI=1S/C3H6BrIO/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=WWFHFHDUBTUESC-UHFFFAOYSA-N193.4Ex 193.37(BP est) -12.63(MP est) ----(BP exp) ----(MP exp) C(Br)(I)OC(C) -12.6PredN
C(Br)OC(I)(C)12957264.888C3H6BrIO1-(bromomethoxy)-1-iodoethaneN126C(Br)OC(I)(C)InChI=1S/C3H6BrIO/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=KQKZRSKPKZHFLX-UHFFFAOYSA-N193.4Ex 193.37(BP est) -12.63(MP est) ----(BP exp) ----(MP exp) C(Br)OC(I)(C) -12.6PredN
C(Br)OC(CI)12958264.888C3H6BrIO1-(bromomethoxy)-2-iodoethaneN126C(Br)OC(CI)InChI=1S/C3H6BrIO/c4-3-6-2-1-5/h1-3H2InChIKey=PAXRKNVOZGXNJG-UHFFFAOYSA-N205.4Ex 205.39(BP est) -1.62(MP est) ----(BP exp) ----(MP exp) C(Br)OC(CI) -1.6PredN
C(I)OC(Br)(C)12959264.888C3H6BrIO1-bromo-1-(iodomethoxy)ethaneN126C(I)OC(Br)(C)InChI=1S/C3H6BrIO/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=UOJJRSWONNJQIQ-UHFFFAOYSA-N193.4Ex 193.37(BP est) -12.63(MP est) ----(BP exp) ----(MP exp) C(I)OC(Br)(C) -12.6PredN
COC(Br)(I)(C)12960264.888C3H6BrIO1-bromo-1-iodo-1-methoxyethaneN126COC(Br)(I)(C)InChI=1S/C3H6BrIO/c1-3(4,5)6-2/h1-2H3InChIKey=ZMJYTXANBOPTKL-UHFFFAOYSA-N185.3Ex 185.29(BP est) -6.27(MP est) ----(BP exp) ----(MP exp) COC(Br)(I)(C) -6.3PredN
COC(C(Br)I)12961264.888C3H6BrIO1-bromo-1-iodo-2-methoxyethaneN126COC(C(Br)I)InChI=1S/C3H6BrIO/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=QENIJLLNOLVIBI-UHFFFAOYSA-N193.4Ex 193.37(BP est) -12.63(MP est) ----(BP exp) ----(MP exp) COC(C(Br)I) -12.6PredN
C(I)OC(CBr)12962264.888C3H6BrIO1-bromo-2-(iodomethoxy)ethaneN126C(I)OC(CBr)InChI=1S/C3H6BrIO/c4-1-2-6-3-5/h1-3H2InChIKey=BLUVGHNFROUPCO-UHFFFAOYSA-N205.4Ex 205.39(BP est) -1.62(MP est) ----(BP exp) ----(MP exp) C(I)OC(CBr) -1.6PredN
COC(Br)(CI)12963264.888C3H6BrIO1-bromo-2-iodo-1-methoxyethaneN126COC(Br)(CI)InChI=1S/C3H6BrIO/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=IVROVYMIILMMAP-UHFFFAOYSA-N193.4Ex 193.37(BP est) -12.63(MP est) ----(BP exp) ----(MP exp) COC(Br)(CI) -12.6PredN
OC(CBr)CI12964264.888C3H6BrIO1-bromo-3-iodopropan-2-olN126OC(CBr)CIInChI=1S/C3H6BrIO/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=PWBLCVDUXOOXGQ-UHFFFAOYSA-N239.0Ex 238.96(BP est) 19.98(MP est) ----(BP exp) ----(MP exp) OC(CBr)CI 20PredY(Kladi et al. 2004)
COC(I)(CBr)12965264.888C3H6BrIO2-bromo-1-iodo-1-methoxyethaneN126COC(I)(CBr)InChI=1S/C3H6BrIO/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=VCGKSTZAIBFPAD-UHFFFAOYSA-N193.4Ex 193.37(BP est) -12.63(MP est) ----(BP exp) ----(MP exp) COC(I)(CBr) -12.6PredN
NNC(Br)(I)(C)12966264.892C2H6BrIN2(1-bromo-1-iodoethyl)hydrazineN126NNC(Br)(I)(C)InChI=1S/C2H6BrIN2/c1-2(3,4)6-5/h6H,5H2,1H3InChIKey=HBWOPPBZGCFKBW-UHFFFAOYSA-N233.6Ex 233.56(BP est) 46.92(MP est) ----(BP exp) ----(MP exp) NNC(Br)(I)(C) 46.9PredN
NNC(Br)(CI)12967264.892C2H6BrIN2(1-bromo-2-iodoethyl)hydrazineN126NNC(Br)(CI)InChI=1S/C2H6BrIN2/c3-2(1-4)6-5/h2,6H,1,5H2InChIKey=GTXCUNNCCPYDBN-UHFFFAOYSA-N240.8Ex 240.75(BP est) 43.92(MP est) ----(BP exp) ----(MP exp) NNC(Br)(CI) 43.9PredN
NNC(I)(CBr)12968264.892C2H6BrIN2(2-bromo-1-iodoethyl)hydrazineN126NNC(I)(CBr)InChI=1S/C2H6BrIN2/c3-1-2(4)6-5/h2,6H,1,5H2InChIKey=WTOIMKCTQPAREQ-UHFFFAOYSA-N240.8Ex 240.75(BP est) 43.92(MP est) ----(BP exp) ----(MP exp) NNC(I)(CBr) 43.9PredN
NNC(C(Br)I)12969264.892C2H6BrIN2(2-bromo-2-iodoethyl)hydrazineN126NNC(C(Br)I)InChI=1S/C2H6BrIN2/c3-2(4)1-6-5/h2,6H,1,5H2InChIKey=JBZYRPHKGLACOE-UHFFFAOYSA-N240.8Ex 240.75(BP est) 43.92(MP est) ----(BP exp) ----(MP exp) NNC(C(Br)I) 43.9PredN
CN(C(Br)(I))N12970264.892C2H6BrIN21-(bromoiodomethyl)-1-methylhydrazineN126CN(C(Br)(I))NInChI=1S/C2H6BrIN2/c1-6(5)2(3)4/h2H,5H2,1H3InChIKey=JAMCCEXQEJBKEQ-UHFFFAOYSA-N224.3Ex 224.26(BP est) 30.77(MP est) ----(BP exp) ----(MP exp) CN(C(Br)(I))N 30.8PredN
CNNC(Br)(I)12971264.892C2H6BrIN21-(bromoiodomethyl)-2-methylhydrazineN126CNNC(Br)(I)InChI=1S/C2H6BrIN2/c1-5-6-2(3)4/h2,5-6H,1H3InChIKey=NCOYZHAPHAZKTK-UHFFFAOYSA-N226.4Ex 226.43(BP est) 32.93(MP est) ----(BP exp) ----(MP exp) CNNC(Br)(I) 32.9PredN
C(Br)N(C(I))N12972264.892C2H6BrIN21-(bromomethyl)-1-(iodomethyl)hydrazineN126C(Br)N(C(I))NInChI=1S/C2H6BrIN2/c3-1-6(5)2-4/h1-2,5H2InChIKey=XBLFKJYAIIVASH-UHFFFAOYSA-N235.4Ex 235.42(BP est) 40.11(MP est) ----(BP exp) ----(MP exp) C(Br)N(C(I))N 40.1PredN
C(Br)NNC(I)12973264.892C2H6BrIN21-(bromomethyl)-2-(iodomethyl)hydrazineN126C(Br)NNC(I)InChI=1S/C2H6BrIN2/c3-1-5-6-2-4/h5-6H,1-2H2InChIKey=KJZMCYAKFQMSDF-UHFFFAOYSA-N237.5Ex 237.52(BP est) 43.67(MP est) ----(BP exp) ----(MP exp) C(Br)NNC(I) 43.7PredN
BrC1(I)CS112974264.906C2H2BrIS2-bromo-2-iodothiiraneN75BrC1(I)CS1InChI=1S/C2H2BrIS/c3-2(4)1-5-2/h1H2InChIKey=RBOJGGQFLQZJPM-UHFFFAOYSA-N212.4Ex 212.43(BP est) 32.35(MP est) ----(BP exp) ----(MP exp) BrC1(I)CS1 32.4PredN
BrC1C(I)S112975264.906C2H2BrIS2-bromo-3-iodothiiraneN75BrC1C(I)S1InChI=1S/C2H2BrIS/c3-1-2(4)5-1/h1-2HInChIKey=DFTBRVVOIQAHIE-UHFFFAOYSA-N217.0Ex 217.00(BP est) 30.60(MP est) ----(BP exp) ----(MP exp) BrC1C(I)S1 30.6PredN
IC1C(Br)(F)N112977265.852C2H2BrFIN2-bromo-2-fluoro-3-iodoaziridineN86IC1C(Br)(F)N1InChI=1S/C2H2BrFIN/c3-2(4)1(5)6-2/h1,6HInChIKey=XUUXNAHJWUAABK-UHFFFAOYSA-N205.9Ex 205.87(BP est) 29.96(MP est) ----(BP exp) ----(MP exp) IC1C(Br)(F)N1 30PredN
FC1C(Br)(I)N112978265.852C2H2BrFIN2-bromo-3-fluoro-2-iodoaziridineN86FC1C(Br)(I)N1InChI=1S/C2H2BrFIN/c3-2(5)1(4)6-2/h1,6HInChIKey=ZYFAESYSFHFDPW-UHFFFAOYSA-N205.9Ex 205.87(BP est) 29.96(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(I)N1 30PredN
BrC1C(F)(I)N112979265.852C2H2BrFIN3-bromo-2-fluoro-2-iodoaziridineN86BrC1C(F)(I)N1InChI=1S/C2H2BrFIN/c3-1-2(4,5)6-1/h1,6HInChIKey=FEVIXTCHTUOQHR-UHFFFAOYSA-N205.9Ex 205.87(BP est) 29.96(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(I)N1 30PredN
BrC(I)(C)NO12980265.876C2H5BrINON-(1-bromo-1-iodoethyl)hydroxylamineN116BrC(I)(C)NOInChI=1S/C2H5BrINO/c1-2(3,4)5-6/h5-6H,1H3InChIKey=BHCVKAVAZTTZMO-UHFFFAOYSA-N265.6Ex 265.56(BP est) 57.15(MP est) ----(BP exp) ----(MP exp) BrC(I)(C)NO 57.2PredN
BrC(I)N(O)C12981265.876C2H5BrINON-(bromoiodomethyl)-N-methylhydroxylamineN116BrC(I)N(O)CInChI=1S/C2H5BrINO/c1-5(6)2(3)4/h2,6H,1H3InChIKey=JLVFNMNQWSTGGC-UHFFFAOYSA-N308.2Ex 308.19(BP est) 73.87(MP est) ----(BP exp) ----(MP exp) BrC(I)N(O)C 73.9PredN
BrC(I)NOC12982265.876C2H5BrINON-(bromoiodomethyl)-O-methylhydroxylamineN116BrC(I)NOCInChI=1S/C2H5BrINO/c1-6-5-2(3)4/h2,5H,1H3InChIKey=VRXVCZPKRPEEBL-UHFFFAOYSA-N210.6Ex 210.60(BP est) 13.10(MP est) ----(BP exp) ----(MP exp) BrC(I)NOC 13.1PredN
BrCNOCI12983265.876C2H5BrINON-(bromomethyl)-O-(iodomethyl)hydroxylamineN116BrCNOCIInChI=1S/C2H5BrINO/c3-1-5-6-2-4/h5H,1-2H2InChIKey=SKJYNLQYWCNRHP-UHFFFAOYSA-N222.2Ex 222.15(BP est) 23.97(MP est) ----(BP exp) ----(MP exp) BrCNOCI 24PredN
NOC(I)(C)Br12984265.876C2H5BrINOO-(1-bromo-1-iodoethyl)hydroxylamineN116NOC(I)(C)BrInChI=1S/C2H5BrINO/c1-2(3,4)6-5/h5H2,1H3InChIKey=NISHKVRTDPRJJQ-UHFFFAOYSA-N218.0Ex 218.03(BP est) 30.73(MP est) ----(BP exp) ----(MP exp) NOC(I)(C)Br 30.7PredN
NOC(CI)Br12985265.876C2H5BrINOO-(1-bromo-2-iodoethyl)hydroxylamineN116NOC(CI)BrInChI=1S/C2H5BrINO/c3-2(1-4)6-5/h2H,1,5H2InChIKey=NYUNFIBIHFIFCQ-UHFFFAOYSA-N225.5Ex 225.52(BP est) 32.75(MP est) ----(BP exp) ----(MP exp) NOC(CI)Br 32.8PredN
NOC(CBr)I12986265.876C2H5BrINOO-(2-bromo-1-iodoethyl)hydroxylamineN116NOC(CBr)IInChI=1S/C2H5BrINO/c3-1-2(4)6-5/h2H,1,5H2InChIKey=JSUWCYZGCVNVDP-UHFFFAOYSA-N225.5Ex 225.52(BP est) 32.75(MP est) ----(BP exp) ----(MP exp) NOC(CBr)I 32.8PredN
NOCC(I)Br12987265.876C2H5BrINOO-(2-bromo-2-iodoethyl)hydroxylamineN116NOCC(I)BrInChI=1S/C2H5BrINO/c3-2(4)1-6-5/h2H,1,5H2InChIKey=KYXGDPGXCSIUEQ-UHFFFAOYSA-N225.5Ex 225.52(BP est) 32.75(MP est) ----(BP exp) ----(MP exp) NOCC(I)Br 32.8PredN
CNOC(I)Br12988265.876C2H5BrINOO-(bromoiodomethyl)-N-methylhydroxylamineN116CNOC(I)BrInChI=1S/C2H5BrINO/c1-5-6-2(3)4/h2,5H,1H3InChIKey=GSCDHQXCBULMTN-UHFFFAOYSA-N210.6Ex 210.60(BP est) 13.10(MP est) ----(BP exp) ----(MP exp) CNOC(I)Br 13.1PredN
ICNOCBr12989265.876C2H5BrINOO-(bromomethyl)-N-(iodomethyl)hydroxylamineN116ICNOCBrInChI=1S/C2H5BrINO/c3-1-6-5-2-4/h5H,1-2H2InChIKey=FUYQXLMEJKUEPD-UHFFFAOYSA-N222.2Ex 222.15(BP est) 23.97(MP est) ----(BP exp) ----(MP exp) ICNOCBr 24PredN
C(C(Br)(Br)Br)12990266.758C2H3Br31,1,1-tribromoethaneN85C(C(Br)(Br)Br)InChI=1S/C2H3Br3/c1-2(3,4)5/h1H3InChIKey=ZDUOUNIIAGIPSD-UHFFFAOYSA-N173.0Ex 179.95(BP est) 6.19(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Br)Br) 6.2PredN
C(Br)(C(Br)Br)12991266.758C2H3Br31,1,2-tribromoethaneN85C(Br)(C(Br)Br)InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2InChIKey=QUMDOMSJJIFTCA-UHFFFAOYSA-N188.9Ex 188.13(BP est) -0.14(MP est) 188.93(BP exp) -29.30(MP exp) C(Br)(C(Br)Br) -29.3ExptN
O=PC(Br)I12992266.8CHBrIOP(bromoiodomethyl)(oxo)phosphaneN65O=PC(Br)IInChI=1S/CHBrIOP/c2-1(3)5-4/h1HInChIKey=WFALXFZHEGDFHB-UHFFFAOYSA-N222.3Ex 222.31(BP est) 6.62(MP est) ----(BP exp) ----(MP exp) O=PC(Br)I 6.6PredN
C(=O)C(Br)(F)(I)12993266.836C2HBrFIO2-bromo-2-fluoro-2-iodoacetaldehydeN76C(=O)C(Br)(F)(I)InChI=1S/C2HBrFIO/c3-2(4,5)1-6/h1HInChIKey=HJDCDTGBHPZCKM-UHFFFAOYSA-N197.4Ex 197.35(BP est) 1.79(MP est) ----(BP exp) ----(MP exp) C(=O)C(Br)(F)(I) 1.8PredN
IC1C(Br)(F)O112994266.836C2HBrFIO2-bromo-2-fluoro-3-iodooxiraneN76IC1C(Br)(F)O1InChI=1S/C2HBrFIO/c3-2(4)1(5)6-2/h1HInChIKey=ILJYOGRAWIUVNU-UHFFFAOYSA-N178.7Ex 178.68(BP est) 6.22(MP est) ----(BP exp) ----(MP exp) IC1C(Br)(F)O1 6.2PredN
FC1C(Br)(I)O112995266.836C2HBrFIO2-bromo-3-fluoro-2-iodooxiraneN76FC1C(Br)(I)O1InChI=1S/C2HBrFIO/c3-2(5)1(4)6-2/h1HInChIKey=APKOAWWNUWJXBK-UHFFFAOYSA-N178.7Ex 178.68(BP est) 6.22(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(I)O1 6.2PredN
BrC1C(F)(I)O112996266.836C2HBrFIO3-bromo-2-fluoro-2-iodooxiraneN76BrC1C(F)(I)O1InChI=1S/C2HBrFIO/c3-1-2(4,5)6-1/h1HInChIKey=RESAVSSJIHAPNX-UHFFFAOYSA-N178.7Ex 178.68(BP est) 6.22(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(I)O1 6.2PredN
PC(C)(Br)I12997266.844C2H5BrIP(1-bromo-1-iodoethyl)phosphaneN105PC(C)(Br)IInChI=1S/C2H5BrIP/c1-2(3,4)5/h5H2,1H3InChIKey=VDKXZYGPVSUNSV-UHFFFAOYSA-N195.4Ex 195.35(BP est) -4.40(MP est) ----(BP exp) ----(MP exp) PC(C)(Br)I -4.4PredN
PC(Br)CI12998266.844C2H5BrIP(1-bromo-2-iodoethyl)phosphaneN105PC(Br)CIInChI=1S/C2H5BrIP/c3-2(5)1-4/h2H,1,5H2InChIKey=JTNBASMOCVZAQK-UHFFFAOYSA-N203.3Ex 203.25(BP est) -10.81(MP est) ----(BP exp) ----(MP exp) PC(Br)CI -10.8PredN
PC(I)CBr12999266.844C2H5BrIP(2-bromo-1-iodoethyl)phosphaneN105PC(I)CBrInChI=1S/C2H5BrIP/c3-1-2(4)5/h2H,1,5H2InChIKey=PXAKDEUNTOKBSV-UHFFFAOYSA-N203.3Ex 203.25(BP est) -10.81(MP est) ----(BP exp) ----(MP exp) PC(I)CBr -10.8PredN
PCC(Br)I13000266.844C2H5BrIP(2-bromo-2-iodoethyl)phosphaneN105PCC(Br)IInChI=1S/C2H5BrIP/c3-2(4)1-5/h2H,1,5H2InChIKey=UTRRZLLQFPPOES-UHFFFAOYSA-N203.3Ex 203.25(BP est) -10.81(MP est) ----(BP exp) ----(MP exp) PCC(Br)I -10.8PredN
CPC(Br)I13001266.844C2H5BrIP(bromoiodomethyl)(methyl)phosphaneN105CPC(Br)IInChI=1S/C2H5BrIP/c1-5-2(3)4/h2,5H,1H3InChIKey=XIBPVHYPBBDZMR-UHFFFAOYSA-N185.9Ex 185.94(BP est) -24.05(MP est) ----(BP exp) ----(MP exp) CPC(Br)I -24.1PredN
BrCPCI13002266.844C2H5BrIP(bromomethyl)(iodomethyl)phosphaneN105BrCPCIInChI=1S/C2H5BrIP/c3-1-5-2-4/h5H,1-2H2InChIKey=WBTUJNJVLQYMFB-UHFFFAOYSA-N198.2Ex 198.15(BP est) -12.98(MP est) ----(BP exp) ----(MP exp) BrCPCI -13PredN
C(CC(Br)(F)I)13003266.88C3H5BrFI1-bromo-1-fluoro-1-iodopropaneN116C(CC(Br)(F)I)InChI=1S/C3H5BrFI/c1-2-3(4,5)6/h2H2,1H3InChIKey=BFYNIUVTLFYNET-UHFFFAOYSA-N165.5Ex 165.54(BP est) -22.86(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(F)I) -22.9PredN
C(C(I)C(Br)F)13004266.88C3H5BrFI1-bromo-1-fluoro-2-iodopropaneN116C(C(I)C(Br)F)InChI=1S/C3H5BrFI/c1-2(6)3(4)5/h2-3H,1H3InChIKey=GHBWHXRDAUWSQJ-UHFFFAOYSA-N161.1Ex 161.10(BP est) -40.37(MP est) ----(BP exp) ----(MP exp) C(C(I)C(Br)F) -40.4PredN
C(I)(CC(Br)F)13005266.88C3H5BrFI1-bromo-1-fluoro-3-iodopropaneN116C(I)(CC(Br)F)InChI=1S/C3H5BrFI/c4-3(5)1-2-6/h3H,1-2H2InChIKey=OCJASTZBXAUHLH-UHFFFAOYSA-N174.0Ex 173.96(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) C(I)(CC(Br)F) -29.1PredN
C(C(F)C(Br)I)13006266.88C3H5BrFI1-bromo-2-fluoro-1-iodopropaneN116C(C(F)C(Br)I)InChI=1S/C3H5BrFI/c1-2(5)3(4)6/h2-3H,1H3InChIKey=YAGBWTRYOOLREH-UHFFFAOYSA-N161.1Ex 161.10(BP est) -40.37(MP est) ----(BP exp) ----(MP exp) C(C(F)C(Br)I) -40.4PredN
C(C(F)(I)CBr)13007266.88C3H5BrFI1-bromo-2-fluoro-2-iodopropaneN116C(C(F)(I)CBr)InChI=1S/C3H5BrFI/c1-3(5,6)2-4/h2H2,1H3InChIKey=HDAAEPLUUFYRPQ-UHFFFAOYSA-N165.5Ex 165.54(BP est) -22.86(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)CBr) -22.9PredN
C(Br)(C(F)CI)13008266.88C3H5BrFI1-bromo-2-fluoro-3-iodopropaneN116C(Br)(C(F)CI)InChI=1S/C3H5BrFI/c4-1-3(5)2-6/h3H,1-2H2InChIKey=MRPORXVAJAWRMA-UHFFFAOYSA-N174.0Ex 173.96(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)CI) -29.1PredN
C(F)(CC(Br)I)13009266.88C3H5BrFI1-bromo-3-fluoro-1-iodopropaneN116C(F)(CC(Br)I)InChI=1S/C3H5BrFI/c4-3(6)1-2-5/h3H,1-2H2InChIKey=CTFNLXFNLVHUDP-UHFFFAOYSA-N174.0Ex 173.96(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) C(F)(CC(Br)I) -29.1PredN
C(Br)(C(I)CF)13010266.88C3H5BrFI1-bromo-3-fluoro-2-iodopropaneN116C(Br)(C(I)CF)InChI=1S/C3H5BrFI/c4-1-3(6)2-5/h3H,1-2H2InChIKey=JMODJMFOAJVZMR-UHFFFAOYSA-N174.0Ex 173.96(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) C(Br)(C(I)CF) -29.1PredN
C(C(Br)C(F)I)13011266.88C3H5BrFI2-bromo-1-fluoro-1-iodopropaneN116C(C(Br)C(F)I)InChI=1S/C3H5BrFI/c1-2(4)3(5)6/h2-3H,1H3InChIKey=IJQOXLFTXDQMGH-UHFFFAOYSA-N161.1Ex 161.10(BP est) -40.37(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(F)I) -40.4PredN
C(C(Br)(I)CF)13012266.88C3H5BrFI2-bromo-1-fluoro-2-iodopropaneN116C(C(Br)(I)CF)InChI=1S/C3H5BrFI/c1-3(4,6)2-5/h2H2,1H3InChIKey=JVESUXREMBMBBW-UHFFFAOYSA-N165.5Ex 165.54(BP est) -22.86(MP est) ----(BP exp) ----(MP exp) C(C(Br)(I)CF) -22.9PredN
C(I)(C(Br)CF)13013266.88C3H5BrFI2-bromo-1-fluoro-3-iodopropaneN116C(I)(C(Br)CF)InChI=1S/C3H5BrFI/c4-3(1-5)2-6/h3H,1-2H2InChIKey=XIOUBYGOOPHISA-UHFFFAOYSA-N174.0Ex 173.96(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)CF) -29.1PredN
C(C(Br)(F)CI)13014266.88C3H5BrFI2-bromo-2-fluoro-1-iodopropaneN116C(C(Br)(F)CI)InChI=1S/C3H5BrFI/c1-3(4,5)2-6/h2H2,1H3InChIKey=HVSIQGQOLWKUAW-UHFFFAOYSA-N165.5Ex 165.54(BP est) -22.86(MP est) ----(BP exp) ----(MP exp) C(C(Br)(F)CI) -22.9PredN
C(Br)(CC(F)I)13015266.88C3H5BrFI3-bromo-1-fluoro-1-iodopropaneN116C(Br)(CC(F)I)InChI=1S/C3H5BrFI/c4-2-1-3(5)6/h3H,1-2H2InChIKey=SFKJJRNCAMTLFJ-UHFFFAOYSA-N174.0Ex 173.96(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(F)I) -29.1PredN
CSC(Br)(I)13016266.922C2H4BrIS(bromoiodomethyl)(methyl)sulfaneN95CSC(Br)(I)InChI=1S/C2H4BrIS/c1-5-2(3)4/h2H,1H3InChIKey=YOZBHRIZVMMPRW-UHFFFAOYSA-N209.8Ex 209.79(BP est) -7.38(MP est) ----(BP exp) ----(MP exp) CSC(Br)(I) -7.4PredN
C(Br)SC(I)13017266.922C2H4BrIS(bromomethyl)(iodomethyl)sulfaneN95C(Br)SC(I)InChI=1S/C2H4BrIS/c3-1-5-2-4/h1-2H2InChIKey=RHXBJLKWHLYCEG-UHFFFAOYSA-N221.4Ex 221.35(BP est) 3.49(MP est) ----(BP exp) ----(MP exp) C(Br)SC(I) 3.5PredN
C(I)=C(Br)(Cl)13019267.288C2HBrClI1-bromo-1-chloro-2-iodoetheneN65C(I)=C(Br)(Cl)InChI=1S/C2HBrClI/c3-2(4)1-5/h1HInChIKey=PHLZVBMJPDHKGX-UHFFFAOYSA-N195.4Ex 195.36(BP est) -15.85(MP est) ----(BP exp) ----(MP exp) C(I)=C(Br)(Cl) -15.9PredN
C(Cl)=C(Br)(I)13020267.288C2HBrClI1-bromo-2-chloro-1-iodoetheneN65C(Cl)=C(Br)(I)InChI=1S/C2HBrClI/c3-2(5)1-4/h1HInChIKey=BVVKHNWQHDRGCR-UHFFFAOYSA-N195.4Ex 195.36(BP est) -15.85(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(Br)(I) -15.9PredN
C(Br)=C(Cl)(I)13021267.288C2HBrClI2-bromo-1-chloro-1-iodoetheneN65C(Br)=C(Cl)(I)InChI=1S/C2HBrClI/c3-1-2(4)5/h1HInChIKey=BDYYLDCFPOHMQK-UHFFFAOYSA-N195.4Ex 195.36(BP est) -15.85(MP est) ----(BP exp) ----(MP exp) C(Br)=C(Cl)(I) -15.9PredN
NC(Br)(Br)(Br)13024267.746CH2Br3NtribromomethanamineN75NC(Br)(Br)(Br)InChI=1S/CH2Br3N/c2-1(3,4)5/h5H2InChIKey=LYSXDDZOAMNJJX-UHFFFAOYSA-N213.1Ex 213.08(BP est) 31.30(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(Br) 31.3PredN
C(I)(I)13025267.836CH2I2diiodomethaneN53C(I)(I)InChI=1S/CH2I2/c2-1-3/h1H2InChIKey=NZZFYRREKKOMAT-UHFFFAOYSA-N181.5Ex 173.24(BP est) -34.26(MP est) 182.00(BP exp) 6.10(MP exp) C(I)(I) 6.1ExptY(Kladi et al. 2004)
CNC(Br)(F)(I)13026267.868C2H4BrFIN1-bromo-1-fluoro-1-iodo-N-methylmethanamineN106CNC(Br)(F)(I)InChI=1S/C2H4BrFIN/c1-6-2(3,4)5/h6H,1H3InChIKey=HTQYPVPKVUZFAL-UHFFFAOYSA-N183.8Ex 183.82(BP est) 3.17(MP est) ----(BP exp) ----(MP exp) CNC(Br)(F)(I) 3.2PredN
NC(Br)(F)(CI)13027267.868C2H4BrFIN1-bromo-1-fluoro-2-iodoethan-1-amineN106NC(Br)(F)(CI)InChI=1S/C2H4BrFIN/c3-2(4,6)1-5/h1,6H2InChIKey=RCKPOQFRILGLMF-UHFFFAOYSA-N199.7Ex 199.68(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) NC(Br)(F)(CI) 23.1PredN
C(I)NC(Br)(F)13028267.868C2H4BrFIN1-bromo-1-fluoro-N-(iodomethyl)methanamineN106C(I)NC(Br)(F)InChI=1S/C2H4BrFIN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=XDPNEVJKGIGLLO-UHFFFAOYSA-N191.9Ex 191.93(BP est) -3.17(MP est) ----(BP exp) ----(MP exp) C(I)NC(Br)(F) -3.2PredN
NC(Br)(I)(CF)13029267.868C2H4BrFIN1-bromo-2-fluoro-1-iodoethan-1-amineN106NC(Br)(I)(CF)InChI=1S/C2H4BrFIN/c3-2(5,6)1-4/h1,6H2InChIKey=AKOUUTYODHBAAO-UHFFFAOYSA-N199.7Ex 199.68(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) NC(Br)(I)(CF) 23.1PredN
NC(Br)(C(F)I)13030267.868C2H4BrFIN1-bromo-2-fluoro-2-iodoethan-1-amineN106NC(Br)(C(F)I)InChI=1S/C2H4BrFIN/c3-1(6)2(4)5/h1-2H,6H2InChIKey=ZUQDKZKNHQFFBN-UHFFFAOYSA-N195.6Ex 195.55(BP est) 5.68(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(F)I) 5.7PredN
C(F)NC(Br)(I)13031267.868C2H4BrFIN1-bromo-N-(fluoromethyl)-1-iodomethanamineN106C(F)NC(Br)(I)InChI=1S/C2H4BrFIN/c3-2(5)6-1-4/h2,6H,1H2InChIKey=VOQCKLJGHNHTKJ-UHFFFAOYSA-N191.9Ex 191.93(BP est) -3.17(MP est) ----(BP exp) ----(MP exp) C(F)NC(Br)(I) -3.2PredN
NC(F)(I)(CBr)13032267.868C2H4BrFIN2-bromo-1-fluoro-1-iodoethan-1-amineN106NC(F)(I)(CBr)InChI=1S/C2H4BrFIN/c3-1-2(4,5)6/h1,6H2InChIKey=QPSKZFWMFVVBKF-UHFFFAOYSA-N199.7Ex 199.68(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(CBr) 23.1PredN
NC(F)(C(Br)I)13033267.868C2H4BrFIN2-bromo-1-fluoro-2-iodoethan-1-amineN106NC(F)(C(Br)I)InChI=1S/C2H4BrFIN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=CPERMGZIPQLVCL-UHFFFAOYSA-N195.6Ex 195.55(BP est) 5.68(MP est) ----(BP exp) ----(MP exp) NC(F)(C(Br)I) 5.7PredN
NC(I)(C(Br)F)13034267.868C2H4BrFIN2-bromo-2-fluoro-1-iodoethan-1-amineN106NC(I)(C(Br)F)InChI=1S/C2H4BrFIN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=NPJSKYAMOHMJEH-UHFFFAOYSA-N195.6Ex 195.55(BP est) 5.68(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Br)F) 5.7PredN
NC(C(Br)(F)I)13035267.868C2H4BrFIN2-bromo-2-fluoro-2-iodoethan-1-amineN106NC(C(Br)(F)I)InChI=1S/C2H4BrFIN/c3-2(4,5)1-6/h1,6H2InChIKey=CBALXXNRHVGUGN-UHFFFAOYSA-N199.7Ex 199.68(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(F)I) 23.1PredN
C(Br)NC(F)(I)13036267.868C2H4BrFINN-(bromomethyl)-1-fluoro-1-iodomethanamineN106C(Br)NC(F)(I)InChI=1S/C2H4BrFIN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=GTDQGWSFWWFKIY-UHFFFAOYSA-N191.9Ex 191.93(BP est) -3.17(MP est) ----(BP exp) ----(MP exp) C(Br)NC(F)(I) -3.2PredN
C(Br)(F)=C(F)(I)13038268.827C2BrF2I1-bromo-1,2-difluoro-2-iodoetheneN66C(Br)(F)=C(F)(I)InChI=1S/C2BrF2I/c3-1(4)2(5)6InChIKey=SQHHFQKHIUHUOQ-UHFFFAOYSA-N162.5Ex 162.51(BP est) -46.80(MP est) ----(BP exp) ----(MP exp) C(Br)(F)=C(F)(I) -46.8PredN
C(Br)(I)=C(F)(F)13039268.827C2BrF2I1-bromo-2,2-difluoro-1-iodoetheneN66C(Br)(I)=C(F)(F)InChI=1S/C2BrF2I/c3-1(6)2(4)5InChIKey=OFQKNKPKZKYFJS-UHFFFAOYSA-N162.5Ex 162.51(BP est) -46.80(MP est) ----(BP exp) ----(MP exp) C(Br)(I)=C(F)(F) -46.8PredN
C(Br)OC(F)(I)13040268.852C2H3BrFIO(bromomethoxy)fluoroiodomethaneN96C(Br)OC(F)(I)InChI=1S/C2H3BrFIO/c3-1-6-2(4)5/h2H,1H2InChIKey=TZRQUSZEFBRPGY-UHFFFAOYSA-N174.8Ex 174.77(BP est) -23.40(MP est) ----(BP exp) ----(MP exp) C(Br)OC(F)(I) -23.4PredN
OC(CBr)(F)(I)13041268.852C2H3BrFIO2-bromo-1-fluoro-1-iodoethan-1-olN96OC(CBr)(F)(I)InChI=1S/C2H3BrFIO/c3-1-2(4,5)6/h6H,1H2InChIKey=JAOKLLINZSYXNA-UHFFFAOYSA-N205.7Ex 205.68(BP est) 13.63(MP est) ----(BP exp) ----(MP exp) OC(CBr)(F)(I) 13.6PredN
C(F)OC(Br)(I)13042268.852C2H3BrFIObromo(fluoromethoxy)iodomethaneN96C(F)OC(Br)(I)InChI=1S/C2H3BrFIO/c3-2(5)6-1-4/h2H,1H2InChIKey=VFRLGZKVTOHIBF-UHFFFAOYSA-N174.8Ex 174.77(BP est) -23.40(MP est) ----(BP exp) ----(MP exp) C(F)OC(Br)(I) -23.4PredN
C(I)OC(Br)(F)13043268.852C2H3BrFIObromofluoro(iodomethoxy)methaneN96C(I)OC(Br)(F)InChI=1S/C2H3BrFIO/c3-2(4)6-1-5/h2H,1H2InChIKey=RWKXMPZWXHYXDV-UHFFFAOYSA-N174.8Ex 174.77(BP est) -23.40(MP est) ----(BP exp) ----(MP exp) C(I)OC(Br)(F) -23.4PredN
COC(Br)(F)(I)13044268.852C2H3BrFIObromofluoroiodo(methoxy)methaneN96COC(Br)(F)(I)InChI=1S/C2H3BrFIO/c1-6-2(3,4)5/h1H3InChIKey=PKXBLBLPTMBADQ-UHFFFAOYSA-N166.4Ex 166.37(BP est) -17.14(MP est) ----(BP exp) ----(MP exp) COC(Br)(F)(I) -17.1PredN
NNC(Br)(F)(I)13045268.856CH3BrFIN2(bromofluoroiodomethyl)hydrazineN96NNC(Br)(F)(I)InChI=1S/CH3BrFIN2/c2-1(3,4)6-5/h6H,5H2InChIKey=IVWZREXHQVGQQA-UHFFFAOYSA-N216.7Ex 216.66(BP est) 36.79(MP est) ----(BP exp) ----(MP exp) NNC(Br)(F)(I) 36.8PredN
C(C(Br)(Cl)I)13046269.304C2H3BrClI1-bromo-1-chloro-1-iodoethaneN85C(C(Br)(Cl)I)InChI=1S/C2H3BrClI/c1-2(3,4)5/h1H3InChIKey=OXTNZUMREJQNJD-UHFFFAOYSA-N175.9Ex 175.94(BP est) -10.80(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Cl)I) -10.8PredN
C(I)(C(Br)Cl)13047269.304C2H3BrClI1-bromo-1-chloro-2-iodoethaneN85C(I)(C(Br)Cl)InChI=1S/C2H3BrClI/c3-2(4)1-5/h2H,1H2InChIKey=XNJBEFHLFOJVIM-UHFFFAOYSA-N195.3Ex 195.26(BP est) -13.86(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)Cl) -13.9PredN
C(Cl)(C(Br)I)13048269.304C2H3BrClI1-bromo-2-chloro-1-iodoethaneN85C(Cl)(C(Br)I)InChI=1S/C2H3BrClI/c3-2(5)1-4/h2H,1H2InChIKey=QUMBMXSBTOTSPG-UHFFFAOYSA-N206.1Ex 206.11(BP est) -10.70(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)I) -10.7PredN
C(Br)(C(Cl)I)13049269.304C2H3BrClI2-bromo-1-chloro-1-iodoethaneN85C(Br)(C(Cl)I)InChI=1S/C2H3BrClI/c3-1-2(4)5/h2H,1H2InChIKey=IVIVPNPSOKZKJQ-UHFFFAOYSA-N195.3Ex 195.26(BP est) -13.86(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)I) -13.9PredN
NOC(F)(I)Br13053269.84CH2BrFINOO-(bromofluoroiodomethyl)hydroxylamineN86NOC(F)(I)BrInChI=1S/CH2BrFINO/c2-1(3,4)6-5/h5H2InChIKey=JLLJMXCNQMUYLG-UHFFFAOYSA-N200.5Ex 200.45(BP est) 28.81(MP est) ----(BP exp) ----(MP exp) NOC(F)(I)Br 28.8PredN
NC(Br)(Cl)(I)13054270.292CH2BrClINbromochloroiodomethanamineN75NC(Br)(Cl)(I)InChI=1S/CH2BrClIN/c2-1(3,4)5/h5H2InChIKey=VBPWEEMFXZVWAW-UHFFFAOYSA-N209.3Ex 209.34(BP est) 26.16(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)(I) 26.2PredN
C(Br)(Br)(Br)(F)13055270.721CBr3FtribromofluoromethaneN55C(Br)(Br)(Br)(F)InChI=1S/CBr3F/c2-1(3,4)5InChIKey=IHZAEIHJPNTART-UHFFFAOYSA-N107.0Ex 160.82(BP est) -4.74(MP est) 108.00(BP exp) -73.60(MP exp) C(Br)(Br)(Br)(F) -73.6ExptN
PC(I)(Br)F13056270.808CH2BrFIP(bromofluoroiodomethyl)phosphaneN75PC(I)(Br)FInChI=1S/CH2BrFIP/c2-1(3,4)5/h5H2InChIKey=LAVYPGKJXFWDLA-UHFFFAOYSA-N176.8Ex 176.83(BP est) -15.15(MP est) ----(BP exp) ----(MP exp) PC(I)(Br)F -15.2PredN
C(I)(C(Br)(F)F)13057270.843C2H2BrF2I1-bromo-1,1-difluoro-2-iodoethaneN86C(I)(C(Br)(F)F)InChI=1S/C2H2BrF2I/c3-2(4,5)1-6/h1H2InChIKey=YHXBPTMWEVZYKI-UHFFFAOYSA-N145.9Ex 145.85(BP est) -33.95(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)(F)F) -34PredN
C(F)(C(Br)(F)I)13058270.843C2H2BrF2I1-bromo-1,2-difluoro-1-iodoethaneN86C(F)(C(Br)(F)I)InChI=1S/C2H2BrF2I/c3-2(5,6)1-4/h1H2InChIKey=KCAQBXRVFACJOP-UHFFFAOYSA-N145.9Ex 145.85(BP est) -33.95(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(F)I) -34PredN
C(Br)(F)(C(F)I)13059270.843C2H2BrF2I1-bromo-1,2-difluoro-2-iodoethaneN86C(Br)(F)(C(F)I)InChI=1S/C2H2BrF2I/c3-1(4)2(5)6/h1-2HInChIKey=QPVXUDNDNZAFCV-UHFFFAOYSA-N141.2Ex 141.24(BP est) -51.51(MP est) ----(BP exp) ----(MP exp) C(Br)(F)(C(F)I) -51.5PredN
C(Br)(I)(C(F)F)13060270.843C2H2BrF2I1-bromo-2,2-difluoro-1-iodoethaneN86C(Br)(I)(C(F)F)InChI=1S/C2H2BrF2I/c3-1(6)2(4)5/h1-2HInChIKey=XHGOZTZKBDNFPW-UHFFFAOYSA-N141.2Ex 141.24(BP est) -51.51(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C(F)F) -51.5PredN
C(Br)(C(F)(F)I)13061270.843C2H2BrF2I2-bromo-1,1-difluoro-1-iodoethaneN86C(Br)(C(F)(F)I)InChI=1S/C2H2BrF2I/c3-1-2(4,5)6/h1H2InChIKey=LFNCSMYARNDZQT-UHFFFAOYSA-N145.9Ex 145.85(BP est) -33.95(MP est) ----(BP exp) ----(MP exp) C(Br)(C(F)(F)I) -34PredN
SC(Br)(F)(I)13062270.886CHBrFISbromofluoroiodomethanethiolN65SC(Br)(F)(I)InChI=1S/CHBrFIS/c2-1(3,4)5/h5HInChIKey=FXKCNRFUYAGROU-UHFFFAOYSA-N196.0Ex 195.97(BP est) -7.02(MP est) ----(BP exp) ----(MP exp) SC(Br)(F)(I) -7PredN
C(Br)(Cl)(F)(I)13063273.268CBrClFIbromochlorofluoroiodomethaneN55C(Br)(Cl)(F)(I)InChI=1S/CBrClFI/c2-1(3,4)5InChIKey=XEGUVFFZWHRVAV-UHFFFAOYSA-N156.6Ex 156.64(BP est) -21.77(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(F)(I) -21.8PredN
BrC(C1Br)=C1Br13065276.753C3HBr31,2,3-tribromocycloprop-1-eneN76BrC(C1Br)=C1BrInChI=1S/C3HBr3/c4-1-2(5)3(1)6/h1HInChIKey=UZRKKYMQTCXXDA-UHFFFAOYSA-N222.2Ex 222.19(BP est) 35.23(MP est) ----(BP exp) ----(MP exp) BrC(C1Br)=C1Br 35.2PredN
BrC1=CC1(Br)Br13066276.753C3HBr31,3,3-tribromocycloprop-1-eneN76BrC1=CC1(Br)BrInChI=1S/C3HBr3/c4-2-1-3(2,5)6/h1HInChIKey=ZJORVBIZGSHONP-UHFFFAOYSA-N213.8Ex 213.76(BP est) 35.75(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(Br)Br 35.8PredN
C(Br)(Br)(C#CBr)13067276.753C3HBr31,3,3-tribromoprop-1-yneN76C(Br)(Br)(C#CBr)InChI=1S/C3HBr3/c4-2-1-3(5)6/h3HInChIKey=NLGYVVYRYDAMQR-UHFFFAOYSA-N222.0Ex 222.03(BP est) 42.21(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C#CBr) 42.2PredN
C(Br)(Br)(Br)(C#C)13068276.753C3HBr33,3,3-tribromoprop-1-yneN76C(Br)(Br)(Br)(C#C)InChI=1S/C3HBr3/c1-2-3(4,5)6/h1HInChIKey=CNYAHXYULMSCNI-UHFFFAOYSA-N207.2Ex 207.23(BP est) 31.29(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(Br)(C#C) 31.3PredN
PC(C#C)(Br)I13069276.839C3H3BrIP(1-bromo-1-iodoprop-2-yn-1-yl)phosphaneN96PC(C#C)(Br)IInChI=1S/C3H3BrIP/c1-2-3(4,5)6/h1H,6H2InChIKey=NMHXUDXUKCYHTQ-UHFFFAOYSA-N221.7Ex 221.70(BP est) 32.41(MP est) ----(BP exp) ----(MP exp) PC(C#C)(Br)I 32.4PredN
PC(Br)C#CI13070276.839C3H3BrIP(1-bromo-3-iodoprop-2-yn-1-yl)phosphaneN96PC(Br)C#CIInChI=1S/C3H3BrIP/c4-3(6)1-2-5/h3H,6H2InChIKey=WAJYMRBZVLZUTH-UHFFFAOYSA-N236.0Ex 235.98(BP est) 46.33(MP est) ----(BP exp) ----(MP exp) PC(Br)C#CI 46.3PredN
PC(I)C#CBr13071276.839C3H3BrIP(3-bromo-1-iodoprop-2-yn-1-yl)phosphaneN96PC(I)C#CBrInChI=1S/C3H3BrIP/c4-2-1-3(5)6/h3H,6H2InChIKey=XOAAQEJCTGZKRY-UHFFFAOYSA-N236.0Ex 235.98(BP est) 46.33(MP est) ----(BP exp) ----(MP exp) PC(I)C#CBr 46.3PredN
ICPC#CBr13072276.839C3H3BrIP(bromoethynyl)(iodomethyl)phosphaneN96ICPC#CBrInChI=1S/C3H3BrIP/c4-1-2-6-3-5/h6H,3H2InChIKey=ARKWKUOUTNRUJD-UHFFFAOYSA-N231.3Ex 231.29(BP est) 44.05(MP est) ----(BP exp) ----(MP exp) ICPC#CBr 44.1PredN
BrC(PC#C)I13073276.839C3H3BrIP(bromoiodomethyl)(ethynyl)phosphaneN96BrC(PC#C)IInChI=1S/C3H3BrIP/c1-2-6-3(4)5/h1,3,6HInChIKey=ZWQRFMNAWLAJIV-UHFFFAOYSA-N212.9Ex 212.86(BP est) 12.93(MP est) ----(BP exp) ----(MP exp) BrC(PC#C)I 12.9PredN
BrCPC#CI13074276.839C3H3BrIP(bromomethyl)(iodoethynyl)phosphaneN96BrCPC#CIInChI=1S/C3H3BrIP/c4-3-6-2-1-5/h6H,3H2InChIKey=UVHYMAFDIIDDFX-UHFFFAOYSA-N231.3Ex 231.29(BP est) 44.05(MP est) ----(BP exp) ----(MP exp) BrCPC#CI 44.1PredN
BrC1(I)C=CP113075276.839C3H3BrIP2-bromo-2-iodo-1,2-dihydrophospheteN96BrC1(I)C=CP1InChI=1S/C3H3BrIP/c4-3(5)1-2-6-3/h1-2,6HInChIKey=VVGXVCRHFYQTCV-UHFFFAOYSA-N213.4Ex 213.35(BP est) 18.39(MP est) ----(BP exp) ----(MP exp) BrC1(I)C=CP1 18.4PredN
BrC1C(I)=CP113076276.839C3H3BrIP2-bromo-3-iodo-1,2-dihydrophospheteN96BrC1C(I)=CP1InChI=1S/C3H3BrIP/c4-3-2(5)1-6-3/h1,3,6HInChIKey=BOIHWRYSCDHPAT-UHFFFAOYSA-N221.8Ex 221.79(BP est) 15.17(MP est) ----(BP exp) ----(MP exp) BrC1C(I)=CP1 15.2PredN
BrC1C=C(I)P113077276.839C3H3BrIP2-bromo-4-iodo-1,2-dihydrophospheteN96BrC1C=C(I)P1InChI=1S/C3H3BrIP/c4-2-1-3(5)6-2/h1-2,6HInChIKey=OJSCSKXOCRXUSM-UHFFFAOYSA-N221.8Ex 221.79(BP est) 15.17(MP est) ----(BP exp) ----(MP exp) BrC1C=C(I)P1 15.2PredN
IC1C(Br)=CP113078276.839C3H3BrIP3-bromo-2-iodo-1,2-dihydrophospheteN96IC1C(Br)=CP1InChI=1S/C3H3BrIP/c4-2-1-6-3(2)5/h1,3,6HInChIKey=BDZNPHKLRWHALH-UHFFFAOYSA-N221.8Ex 221.79(BP est) 15.17(MP est) ----(BP exp) ----(MP exp) IC1C(Br)=CP1 15.2PredN
IC1=C(CP1)Br13079276.839C3H3BrIP3-bromo-4-iodo-1,2-dihydrophospheteN96IC1=C(CP1)BrInChI=1S/C3H3BrIP/c4-2-1-6-3(2)5/h6H,1H2InChIKey=VEWYBHFBXFYBRE-UHFFFAOYSA-N225.6Ex 225.63(BP est) 24.67(MP est) ----(BP exp) ----(MP exp) IC1=C(CP1)Br 24.7PredN
IC1C=C(Br)P113080276.839C3H3BrIP4-bromo-2-iodo-1,2-dihydrophospheteN96IC1C=C(Br)P1InChI=1S/C3H3BrIP/c4-2-1-3(5)6-2/h1,3,6HInChIKey=UIDXQGMJUQSNAN-UHFFFAOYSA-N221.8Ex 221.79(BP est) 15.17(MP est) ----(BP exp) ----(MP exp) IC1C=C(Br)P1 15.2PredN
BrC1=C(CP1)I13081276.839C3H3BrIP4-bromo-3-iodo-1,2-dihydrophospheteN96BrC1=C(CP1)IInChI=1S/C3H3BrIP/c4-3-2(5)1-6-3/h6H,1H2InChIKey=OIOAWPQHIWILRY-UHFFFAOYSA-N225.6Ex 225.63(BP est) 24.67(MP est) ----(BP exp) ----(MP exp) BrC1=C(CP1)I 24.7PredN
C(I)#C(I)13083277.831C2I21,2-diiodoethyneN44C(I)#C(I)InChI=1S/C2I2/c3-1-2-4InChIKey=XANKMCMFEJCODV-UHFFFAOYSA-N208.3Ex 208.26(BP est) 25.75(MP est) ----(BP exp) ----(MP exp) C(I)#C(I) 25.8PredN
C(C1Br)(C1(Br)Br)13084278.769C3H3Br31,1,2-tribromocyclopropaneN96C(C1Br)(C1(Br)Br)InChI=1S/C3H3Br3/c4-2-1-3(2,5)6/h2H,1H2InChIKey=VTKNAATZEMZZPA-UHFFFAOYSA-N207.3Ex 207.25(BP est) 27.37(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1(Br)Br) 27.4PredN
C(C(Br)=C(Br)Br)13085278.769C3H3Br31,1,2-tribromoprop-1-eneN96C(C(Br)=C(Br)Br)InChI=1S/C3H3Br3/c1-2(4)3(5)6/h1H3InChIKey=YNNGVHJUVVGVEP-UHFFFAOYSA-N215.2Ex 215.19(BP est) 4.40(MP est) ----(BP exp) ----(MP exp) C(C(Br)=C(Br)Br) 4.4PredN
C(Br)(C=C(Br)Br)13086278.769C3H3Br31,1,3-tribromoprop-1-eneN96C(Br)(C=C(Br)Br)InChI=1S/C3H3Br3/c4-2-1-3(5)6/h1H,2H2InChIKey=WIQIRUONTRQXRN-UHFFFAOYSA-N220.4Ex 220.40(BP est) 12.90(MP est) ----(BP exp) ----(MP exp) C(Br)(C=C(Br)Br) 12.9PredN
C(Br)(C1Br)(C1Br)13087278.769C3H3Br31,2,3-tribromocyclopropaneN96C(Br)(C1Br)(C1Br)InChI=1S/C3H3Br3/c4-1-2(5)3(1)6/h1-3HInChIKey=OFDHZRSIASMSRS-UHFFFAOYSA-N211.9Ex 211.88(BP est) 24.66(MP est) ----(BP exp) ----(MP exp) C(Br)(C1Br)(C1Br) 24.7PredN
C(Br)(C(Br)=CBr)13088278.769C3H3Br31,2,3-tribromoprop-1-eneN96C(Br)(C(Br)=CBr)InChI=1S/C3H3Br3/c4-1-3(6)2-5/h1H,2H2InChIKey=GCYDHXOUHNLRDZ-UHFFFAOYSA-N220.4Ex 220.40(BP est) 12.90(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)=CBr) 12.9PredN
C(Br)(Br)(C=CBr)13089278.769C3H3Br31,3,3-tribromoprop-1-eneN96C(Br)(Br)(C=CBr)InChI=1S/C3H3Br3/c4-2-1-3(5)6/h1-3HInChIKey=XFMWSIKFBDBINB-UHFFFAOYSA-N214.1Ex 214.09(BP est) 10.54(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C=CBr) 10.5PredN
C(Br)(Br)(C(Br)=C)13090278.769C3H3Br32,3,3-tribromoprop-1-eneN96C(Br)(Br)(C(Br)=C)InChI=1S/C3H3Br3/c1-2(4)3(5)6/h3H,1H2InChIKey=JLPQSPSQXAFTFU-UHFFFAOYSA-N201.3Ex 201.27(BP est) 1.48(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C(Br)=C) 1.5PredN
C(Br)(Br)(Br)(C=C)13091278.769C3H3Br33,3,3-tribromoprop-1-eneN96C(Br)(Br)(Br)(C=C)InChI=1S/C3H3Br3/c1-2-3(4,5)6/h2H,1H2InChIKey=XXOSFUYRYSLQEN-UHFFFAOYSA-N198.8Ex 198.81(BP est) 16.45(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(Br)(C=C) 16.5PredN
O=PC(Br)=CI13092278.811C2HBrIOP(1-bromo-2-iodovinyl)(oxo)phosphaneN76O=PC(Br)=CIInChI=1S/C2HBrIOP/c3-2(1-4)6-5/h1HInChIKey=QVHARDKDJSKARD-UHFFFAOYSA-N252.0Ex 252.01(BP est) 18.91(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=CI 18.9PredN
O=PC(I)=CBr13093278.811C2HBrIOP(2-bromo-1-iodovinyl)(oxo)phosphaneN76O=PC(I)=CBrInChI=1S/C2HBrIOP/c3-1-2(4)6-5/h1HInChIKey=OHBZORLHMVDAKB-UHFFFAOYSA-N252.0Ex 252.01(BP est) 18.91(MP est) ----(BP exp) ----(MP exp) O=PC(I)=CBr 18.9PredN
O=PC=C(Br)I13094278.811C2HBrIOP(2-bromo-2-iodovinyl)(oxo)phosphaneN76O=PC=C(Br)IInChI=1S/C2HBrIOP/c3-2(4)1-6-5/h1HInChIKey=WHWLFEORFHCZOB-UHFFFAOYSA-N252.0Ex 252.01(BP est) 18.91(MP est) ----(BP exp) ----(MP exp) O=PC=C(Br)I 18.9PredN
PC(C=C)(Br)I13095278.855C3H5BrIP(1-bromo-1-iodoallyl)phosphaneN116PC(C=C)(Br)IInChI=1S/C3H5BrIP/c1-2-3(4,5)6/h2H,1,6H2InChIKey=UVJJBJFIGGRKRN-UHFFFAOYSA-N213.6Ex 213.58(BP est) 5.67(MP est) ----(BP exp) ----(MP exp) PC(C=C)(Br)I 5.7PredN
PC(Br)C(I)=C13096278.855C3H5BrIP(1-bromo-2-iodoallyl)phosphaneN116PC(Br)C(I)=CInChI=1S/C3H5BrIP/c1-2(5)3(4)6/h3H,1,6H2InChIKey=XKSVRGSBECFQRK-UHFFFAOYSA-N216.0Ex 215.95(BP est) -9.32(MP est) ----(BP exp) ----(MP exp) PC(Br)C(I)=C -9.3PredN
CPC(Br)=CI13097278.855C3H5BrIP(1-bromo-2-iodovinyl)(methyl)phosphaneN116CPC(Br)=CIInChI=1S/C3H5BrIP/c1-6-3(4)2-5/h2,6H,1H3InChIKey=QSOAXBVMEUNRDZ-UHFFFAOYSA-N218.4Ex 218.37(BP est) -10.96(MP est) ----(BP exp) ----(MP exp) CPC(Br)=CI -11PredN
PC(Br)C=CI13098278.855C3H5BrIP(1-bromo-3-iodoallyl)phosphaneN116PC(Br)C=CIInChI=1S/C3H5BrIP/c4-3(6)1-2-5/h1-3H,6H2InChIKey=YDVGSOCIKCXWDT-UHFFFAOYSA-N228.3Ex 228.33(BP est) -0.39(MP est) ----(BP exp) ----(MP exp) PC(Br)C=CI -0.4PredN
ICPC(Br)=C13099278.855C3H5BrIP(1-bromovinyl)(iodomethyl)phosphaneN116ICPC(Br)=CInChI=1S/C3H5BrIP/c1-3(4)6-2-5/h6H,1-2H2InChIKey=DBPSLGNKHJLGAJ-UHFFFAOYSA-N211.0Ex 211.01(BP est) -11.45(MP est) ----(BP exp) ----(MP exp) ICPC(Br)=C -11.5PredN
PC(I)C(Br)=C13100278.855C3H5BrIP(2-bromo-1-iodoallyl)phosphaneN116PC(I)C(Br)=CInChI=1S/C3H5BrIP/c1-2(4)3(5)6/h3H,1,6H2InChIKey=YCGBMLFZPVNWSI-UHFFFAOYSA-N216.0Ex 215.95(BP est) -9.32(MP est) ----(BP exp) ----(MP exp) PC(I)C(Br)=C -9.3PredN
CPC(I)=CBr13101278.855C3H5BrIP(2-bromo-1-iodovinyl)(methyl)phosphaneN116CPC(I)=CBrInChI=1S/C3H5BrIP/c1-6-3(5)2-4/h2,6H,1H3InChIKey=CODJJVRRXADHDH-UHFFFAOYSA-N218.4Ex 218.37(BP est) -10.96(MP est) ----(BP exp) ----(MP exp) CPC(I)=CBr -11PredN
CPC=C(Br)I13102278.855C3H5BrIP(2-bromo-2-iodovinyl)(methyl)phosphaneN116CPC=C(Br)IInChI=1S/C3H5BrIP/c1-6-2-3(4)5/h2,6H,1H3InChIKey=XUKNUYUINBHAMT-UHFFFAOYSA-N218.4Ex 218.37(BP est) -10.96(MP est) ----(BP exp) ----(MP exp) CPC=C(Br)I -11PredN
PCC(Br)=CI13103278.855C3H5BrIP(2-bromo-3-iodoallyl)phosphaneN116PCC(Br)=CIInChI=1S/C3H5BrIP/c4-3(1-5)2-6/h1H,2,6H2InChIKey=DNNNVSNJDSTHSV-UHFFFAOYSA-N234.4Ex 234.41(BP est) 1.90(MP est) ----(BP exp) ----(MP exp) PCC(Br)=CI 1.9PredN
ICPC=CBr13104278.855C3H5BrIP(2-bromovinyl)(iodomethyl)phosphaneN116ICPC=CBrInChI=1S/C3H5BrIP/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=YJXDPCHIGQFDGG-UHFFFAOYSA-N223.5Ex 223.53(BP est) -2.48(MP est) ----(BP exp) ----(MP exp) ICPC=CBr -2.5PredN
PC(I)C=CBr13105278.855C3H5BrIP(3-bromo-1-iodoallyl)phosphaneN116PC(I)C=CBrInChI=1S/C3H5BrIP/c4-2-1-3(5)6/h1-3H,6H2InChIKey=OPTBJJXVOWVUEO-UHFFFAOYSA-N228.3Ex 228.33(BP est) -0.39(MP est) ----(BP exp) ----(MP exp) PC(I)C=CBr -0.4PredN
PCC(I)=CBr13106278.855C3H5BrIP(3-bromo-2-iodoallyl)phosphaneN116PCC(I)=CBrInChI=1S/C3H5BrIP/c4-1-3(5)2-6/h1H,2,6H2InChIKey=SWTWAJHVJVEPNZ-UHFFFAOYSA-N234.4Ex 234.41(BP est) 1.90(MP est) ----(BP exp) ----(MP exp) PCC(I)=CBr 1.9PredN
PCC=C(Br)I13107278.855C3H5BrIP(3-bromo-3-iodoallyl)phosphaneN116PCC=C(Br)IInChI=1S/C3H5BrIP/c4-3(5)1-2-6/h1H,2,6H2InChIKey=VUXSKPYVEQBWSJ-UHFFFAOYSA-N234.4Ex 234.41(BP est) 1.90(MP est) ----(BP exp) ----(MP exp) PCC=C(Br)I 1.9PredN
BrC(PC=C)I13108278.855C3H5BrIP(bromoiodomethyl)(vinyl)phosphaneN116BrC(PC=C)IInChI=1S/C3H5BrIP/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=PGTDMHQSWCSCAQ-UHFFFAOYSA-N204.6Ex 204.55(BP est) -13.86(MP est) ----(BP exp) ----(MP exp) BrC(PC=C)I -13.9PredN
BrCPC(I)=C13109278.855C3H5BrIP(bromomethyl)(1-iodovinyl)phosphaneN116BrCPC(I)=CInChI=1S/C3H5BrIP/c1-3(5)6-2-4/h6H,1-2H2InChIKey=JODCLLRCONAAMQ-UHFFFAOYSA-N211.0Ex 211.01(BP est) -11.45(MP est) ----(BP exp) ----(MP exp) BrCPC(I)=C -11.5PredN
BrCPC=CI13110278.855C3H5BrIP(bromomethyl)(2-iodovinyl)phosphaneN116BrCPC=CIInChI=1S/C3H5BrIP/c4-3-6-2-1-5/h1-2,6H,3H2InChIKey=ORGBROQMFVWHEW-UHFFFAOYSA-N223.5Ex 223.53(BP est) -2.48(MP est) ----(BP exp) ----(MP exp) BrCPC=CI -2.5PredN
BrC(P1CC1)I13111278.855C3H5BrIP1-(bromoiodomethyl)phosphiraneN116BrC(P1CC1)IInChI=1S/C3H5BrIP/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=UJDJJMHKXACVFR-UHFFFAOYSA-N214.0Ex 213.97(BP est) 1.94(MP est) ----(BP exp) ----(MP exp) BrC(P1CC1)I 1.9PredN
BrCP1C(I)C113112278.855C3H5BrIP1-(bromomethyl)-2-iodophosphiraneN116BrCP1C(I)C1InChI=1S/C3H5BrIP/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=ZSJOLGFVKXYEPD-UHFFFAOYSA-N220.0Ex 219.95(BP est) 9.06(MP est) ----(BP exp) ----(MP exp) BrCP1C(I)C1 9.1PredN
ICP1C(Br)C113113278.855C3H5BrIP2-bromo-1-(iodomethyl)phosphiraneN116ICP1C(Br)C1InChI=1S/C3H5BrIP/c4-3-1-6(3)2-5/h3H,1-2H2InChIKey=CTSCOUKJAUVHLU-UHFFFAOYSA-N220.0Ex 219.95(BP est) 9.06(MP est) ----(BP exp) ----(MP exp) ICP1C(Br)C1 9.1PredN
CP1C(I)(Br)C113114278.855C3H5BrIP2-bromo-2-iodo-1-methylphosphiraneN116CP1C(I)(Br)C1InChI=1S/C3H5BrIP/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=IHBPIBYKBQJALM-UHFFFAOYSA-N209.8Ex 209.81(BP est) 18.05(MP est) ----(BP exp) ----(MP exp) CP1C(I)(Br)C1 18.1PredN
BrC1(I)CCP113115278.855C3H5BrIP2-bromo-2-iodophosphetaneN116BrC1(I)CCP1InChI=1S/C3H5BrIP/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=FLDVMKUCTZGXBH-UHFFFAOYSA-N210.8Ex 210.81(BP est) 17.27(MP est) ----(BP exp) ----(MP exp) BrC1(I)CCP1 17.3PredN
CP1C(I)C1Br13116278.855C3H5BrIP2-bromo-3-iodo-1-methylphosphiraneN116CP1C(I)C1BrInChI=1S/C3H5BrIP/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=PEVVZTRFFUYSMJ-UHFFFAOYSA-N214.4Ex 214.41(BP est) 5.33(MP est) ----(BP exp) ----(MP exp) CP1C(I)C1Br 5.3PredN
BrC1C(I)CP113117278.855C3H5BrIP2-bromo-3-iodophosphetaneN116BrC1C(I)CP1InChI=1S/C3H5BrIP/c4-3-2(5)1-6-3/h2-3,6H,1H2InChIKey=AOMVHLGYLUPSBJ-UHFFFAOYSA-N215.4Ex 215.40(BP est) 4.54(MP est) ----(BP exp) ----(MP exp) BrC1C(I)CP1 4.5PredN
BrC1CC(I)P113118278.855C3H5BrIP2-bromo-4-iodophosphetaneN116BrC1CC(I)P1InChI=1S/C3H5BrIP/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=OHZMMVPGPJYYPY-UHFFFAOYSA-N215.4Ex 215.40(BP est) 4.54(MP est) ----(BP exp) ----(MP exp) BrC1CC(I)P1 4.5PredN
IC1C(Br)CP113119278.855C3H5BrIP3-bromo-2-iodophosphetaneN116IC1C(Br)CP1InChI=1S/C3H5BrIP/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=NFGTWXCXGPGXJQ-UHFFFAOYSA-N215.4Ex 215.40(BP est) 4.54(MP est) ----(BP exp) ----(MP exp) IC1C(Br)CP1 4.5PredN
BrC1(I)CPC113120278.855C3H5BrIP3-bromo-3-iodophosphetaneN116BrC1(I)CPC1InChI=1S/C3H5BrIP/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=NFIHSGZMYQXXMI-UHFFFAOYSA-N210.8Ex 210.81(BP est) 17.27(MP est) ----(BP exp) ----(MP exp) BrC1(I)CPC1 17.3PredN
ClC(C1I)=C1Br13121279.299C3HBrClI1-bromo-2-chloro-3-iodocycloprop-1-eneN76ClC(C1I)=C1BrInChI=1S/C3HBrClI/c4-1-2(5)3(1)6/h3HInChIKey=XXTGCMVDIQVTJZ-UHFFFAOYSA-N216.9Ex 216.85(BP est) 27.44(MP est) ----(BP exp) ----(MP exp) ClC(C1I)=C1Br 27.4PredN
BrC(C1Cl)=C1I13122279.299C3HBrClI1-bromo-3-chloro-2-iodocycloprop-1-eneN76BrC(C1Cl)=C1IInChI=1S/C3HBrClI/c4-1-2(5)3(1)6/h2HInChIKey=ICYWXQOJVCSUFV-UHFFFAOYSA-N228.8Ex 228.77(BP est) 30.92(MP est) ----(BP exp) ----(MP exp) BrC(C1Cl)=C1I 30.9PredN
BrC1=CC1(I)Cl13123279.299C3HBrClI1-bromo-3-chloro-3-iodocycloprop-1-eneN76BrC1=CC1(I)ClInChI=1S/C3HBrClI/c4-2-1-3(2,5)6/h1HInChIKey=YWHRNPNBHAQTGW-UHFFFAOYSA-N210.0Ex 210.04(BP est) 23.76(MP est) ----(BP exp) ----(MP exp) BrC1=CC1(I)Cl 23.8PredN
C(Cl)(I)(C#CBr)13124279.299C3HBrClI1-bromo-3-chloro-3-iodoprop-1-yneN76C(Cl)(I)(C#CBr)InChI=1S/C3HBrClI/c4-2-1-3(5)6/h3HInChIKey=ZLLSFKXFSBMURL-UHFFFAOYSA-N228.6Ex 228.62(BP est) 42.98(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C#CBr) 43PredN
ClC(C1Br)=C1I13125279.299C3HBrClI3-bromo-1-chloro-2-iodocycloprop-1-eneN76ClC(C1Br)=C1IInChI=1S/C3HBrClI/c4-1-2(5)3(1)6/h1HInChIKey=YUVHUJKYXAATQH-UHFFFAOYSA-N216.9Ex 216.85(BP est) 27.44(MP est) ----(BP exp) ----(MP exp) ClC(C1Br)=C1I 27.4PredN
ClC1=CC1(I)Br13126279.299C3HBrClI3-bromo-1-chloro-3-iodocycloprop-1-eneN76ClC1=CC1(I)BrInChI=1S/C3HBrClI/c4-3(6)1-2(3)5/h1HInChIKey=AAORCFZRSPSNAB-UHFFFAOYSA-N208.3Ex 208.30(BP est) 23.08(MP est) ----(BP exp) ----(MP exp) ClC1=CC1(I)Br 23.1PredN
C(Br)(I)(C#CCl)13127279.299C3HBrClI3-bromo-1-chloro-3-iodoprop-1-yneN76C(Br)(I)(C#CCl)InChI=1S/C3HBrClI/c4-3(6)1-2-5/h3HInChIKey=IQXISZFBHMINFW-UHFFFAOYSA-N216.7Ex 216.69(BP est) 38.34(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C#CCl) 38.3PredN
IC1=CC1(Cl)Br13128279.299C3HBrClI3-bromo-3-chloro-1-iodocycloprop-1-eneN76IC1=CC1(Cl)BrInChI=1S/C3HBrClI/c4-3(5)1-2(3)6/h1HInChIKey=FZJLXILOPWNNBV-UHFFFAOYSA-N210.0Ex 210.04(BP est) 23.76(MP est) ----(BP exp) ----(MP exp) IC1=CC1(Cl)Br 23.8PredN
C(Br)(Cl)(C#CI)13129279.299C3HBrClI3-bromo-3-chloro-1-iodoprop-1-yneN76C(Br)(Cl)(C#CI)InChI=1S/C3HBrClI/c4-3(5)1-2-6/h3HInChIKey=JMJZZQPUNHCAGV-UHFFFAOYSA-N228.6Ex 228.62(BP est) 42.98(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C#CI) 43PredN
C(Br)(Cl)(I)(C#C)13130279.299C3HBrClI3-bromo-3-chloro-3-iodoprop-1-yneN76C(Br)(Cl)(I)(C#C)InChI=1S/C3HBrClI/c1-2-3(4,5)6/h1HInChIKey=NTFJSTNVIJMYKL-UHFFFAOYSA-N203.5Ex 203.45(BP est) 26.36(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(I)(C#C) 26.4PredN
C=C(I)(I)13131279.847C2H2I21,1-diiodoetheneN64C=C(I)(I)InChI=1S/C2H2I2/c1-2(3)4/h1H2InChIKey=VFRMAHVDXYSEON-UHFFFAOYSA-N186.8Ex 186.81(BP est) -32.52(MP est) ----(BP exp) ----(MP exp) C=C(I)(I) -32.5PredN
C(I)=C(I)13132279.847C2H2I21,2-diiodoetheneN64C(I)=C(I)InChI=1S/C2H2I2/c3-1-2-4/h1-2HInChIKey=CVOGMKGEVNGRSK-UHFFFAOYSA-N188.3Ex 200.06(BP est) -23.33(MP est) ----(BP exp) -14.00(MP exp) C(I)=C(I) -14ExptN
C(CC(Br)(Br)Br)13133280.785C3H5Br31,1,1-tribromopropaneN116C(CC(Br)(Br)Br)InChI=1S/C3H5Br3/c1-2-3(4,5)6/h2H2,1H3InChIKey=AONKGGMHQHWMSM-UHFFFAOYSA-N192.0Ex 200.30(BP est) 17.76(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(Br)Br) 17.8PredN
C(C(Br)C(Br)Br)13134280.785C3H5Br31,1,2-tribromopropaneN116C(C(Br)C(Br)Br)InChI=1S/C3H5Br3/c1-2(4)3(5)6/h2-3H,1H3InChIKey=ZLOLQHBVMYXNHX-UHFFFAOYSA-N201.0Ex 196.18(BP est) 0.35(MP est) 200.50(BP exp) ----(MP exp) C(C(Br)C(Br)Br) 0.4PredN
C(Br)(CC(Br)Br)13135280.785C3H5Br31,1,3-tribromopropaneN116C(Br)(CC(Br)Br)InChI=1S/C3H5Br3/c4-2-1-3(5)6/h3H,1-2H2InChIKey=PYTGCWNMUAUPPL-UHFFFAOYSA-N205.0Ex 208.12(BP est) 11.33(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(Br)Br) 11.3PredN
C(C(Br)(Br)CBr)13136280.785C3H5Br31,2,2-tribromopropaneN116C(C(Br)(Br)CBr)InChI=1S/C3H5Br3/c1-3(5,6)2-4/h2H2,1H3InChIKey=IELJYJRPJJILHQ-UHFFFAOYSA-N191.0Ex 200.30(BP est) 17.76(MP est) 190.50(BP exp) ----(MP exp) C(C(Br)(Br)CBr) 17.8PredN
C(Br)(C(Br)CBr)13137280.785C3H5Br31,2,3-tribromopropaneN116C(Br)(C(Br)CBr)InChI=1S/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H2InChIKey=FHCLGDLYRUPKAM-UHFFFAOYSA-N220.4Ex 208.12(BP est) 11.33(MP est) 222.10(BP exp) 16.90(MP exp) C(Br)(C(Br)CBr) 16.9ExptN
O=PC(C)(Br)I13138280.827C2H3BrIOP(1-bromo-1-iodoethyl)(oxo)phosphaneN96O=PC(C)(Br)IInChI=1S/C2H3BrIOP/c1-2(3,4)6-5/h1H3InChIKey=PCWTZWVVJRERNJ-UHFFFAOYSA-N233.5Ex 233.54(BP est) 24.25(MP est) ----(BP exp) ----(MP exp) O=PC(C)(Br)I 24.3PredN
O=PC(Br)CI13139280.827C2H3BrIOP(1-bromo-2-iodoethyl)(oxo)phosphaneN96O=PC(Br)CIInChI=1S/C2H3BrIOP/c3-2(1-4)6-5/h2H,1H2InChIKey=IWWVOGZACUERRZ-UHFFFAOYSA-N240.7Ex 240.73(BP est) 17.64(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CI 17.6PredN
O=PC(I)CBr13140280.827C2H3BrIOP(2-bromo-1-iodoethyl)(oxo)phosphaneN96O=PC(I)CBrInChI=1S/C2H3BrIOP/c3-1-2(4)6-5/h2H,1H2InChIKey=KYZTVMDDYATARP-UHFFFAOYSA-N240.7Ex 240.73(BP est) 17.64(MP est) ----(BP exp) ----(MP exp) O=PC(I)CBr 17.6PredN
O=PCC(Br)I13141280.827C2H3BrIOP(2-bromo-2-iodoethyl)(oxo)phosphaneN96O=PCC(Br)IInChI=1S/C2H3BrIOP/c3-2(4)1-6-5/h2H,1H2InChIKey=XSDUQSGMYDXZKX-UHFFFAOYSA-N240.7Ex 240.73(BP est) 17.64(MP est) ----(BP exp) ----(MP exp) O=PCC(Br)I 17.6PredN
O=P1C(I)(Br)C113142280.827C2H3BrIOP2-bromo-2-iodophosphirane 1-oxideN96O=P1C(I)(Br)C1InChI=1S/C2H3BrIOP/c3-2(4)1-6(2)5/h6H,1H2InChIKey=BSBRLUFWNVSEHF-UHFFFAOYSA-N241.8Ex 241.83(BP est) 39.95(MP est) ----(BP exp) ----(MP exp) O=P1C(I)(Br)C1 40PredN
O=P1C(I)C1Br13143280.827C2H3BrIOP2-bromo-3-iodophosphirane 1-oxideN96O=P1C(I)C1BrInChI=1S/C2H3BrIOP/c3-1-2(4)6(1)5/h1-2,6HInChIKey=NCUYRGWRBXNRCK-UHFFFAOYSA-N246.1Ex 246.06(BP est) 27.12(MP est) ----(BP exp) ----(MP exp) O=P1C(I)C1Br 27.1PredN
CPC(C)(Br)I13144280.871C3H7BrIP(1-bromo-1-iodoethyl)(methyl)phosphaneN136CPC(C)(Br)IInChI=1S/C3H7BrIP/c1-3(4,5)6-2/h6H,1-2H3InChIKey=CFDITQMKQIMAHA-UHFFFAOYSA-N198.2Ex 198.17(BP est) -6.13(MP est) ----(BP exp) ----(MP exp) CPC(C)(Br)I -6.1PredN
PC(CC)(Br)I13145280.871C3H7BrIP(1-bromo-1-iodopropyl)phosphaneN136PC(CC)(Br)IInChI=1S/C3H7BrIP/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=PLZOEMYDULEQIJ-UHFFFAOYSA-N215.0Ex 215.02(BP est) 6.97(MP est) ----(BP exp) ----(MP exp) PC(CC)(Br)I 7PredN
CPC(Br)CI13146280.871C3H7BrIP(1-bromo-2-iodoethyl)(methyl)phosphaneN136CPC(Br)CIInChI=1S/C3H7BrIP/c1-6-3(4)2-5/h3,6H,2H2,1H3InChIKey=GKVITBCYLOHHML-UHFFFAOYSA-N206.0Ex 206.02(BP est) -12.55(MP est) ----(BP exp) ----(MP exp) CPC(Br)CI -12.6PredN
PC(Br)C(I)C13147280.871C3H7BrIP(1-bromo-2-iodopropyl)phosphaneN136PC(Br)C(I)CInChI=1S/C3H7BrIP/c1-2(5)3(4)6/h2-3H,6H2,1H3InChIKey=DDEXXQBJGOXOFB-UHFFFAOYSA-N211.0Ex 211.03(BP est) -10.40(MP est) ----(BP exp) ----(MP exp) PC(Br)C(I)C -10.4PredN
PC(Br)CCI13148280.871C3H7BrIP(1-bromo-3-iodopropyl)phosphaneN136PC(Br)CCIInChI=1S/C3H7BrIP/c4-3(6)1-2-5/h3H,1-2,6H2InChIKey=CIKVPZZPJZTTCH-UHFFFAOYSA-N222.6Ex 222.56(BP est) 0.47(MP est) ----(BP exp) ----(MP exp) PC(Br)CCI 0.5PredN
ICPC(Br)C13149280.871C3H7BrIP(1-bromoethyl)(iodomethyl)phosphaneN136ICPC(Br)CInChI=1S/C3H7BrIP/c1-3(4)6-2-5/h3,6H,2H2,1H3InChIKey=PDHKDGFPAMLWFG-UHFFFAOYSA-N206.0Ex 206.02(BP est) -12.55(MP est) ----(BP exp) ----(MP exp) ICPC(Br)C -12.6PredN
CPC(I)CBr13150280.871C3H7BrIP(2-bromo-1-iodoethyl)(methyl)phosphaneN136CPC(I)CBrInChI=1S/C3H7BrIP/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=PDUWPHUXYCZMIN-UHFFFAOYSA-N206.0Ex 206.02(BP est) -12.55(MP est) ----(BP exp) ----(MP exp) CPC(I)CBr -12.6PredN
PC(I)C(Br)C13151280.871C3H7BrIP(2-bromo-1-iodopropyl)phosphaneN136PC(I)C(Br)CInChI=1S/C3H7BrIP/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=RAPPVAJMUHJJMH-UHFFFAOYSA-N211.0Ex 211.03(BP est) -10.40(MP est) ----(BP exp) ----(MP exp) PC(I)C(Br)C -10.4PredN
CPCC(Br)I13152280.871C3H7BrIP(2-bromo-2-iodoethyl)(methyl)phosphaneN136CPCC(Br)IInChI=1S/C3H7BrIP/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=ZXUPQBSKSIHQBE-UHFFFAOYSA-N206.0Ex 206.02(BP est) -12.55(MP est) ----(BP exp) ----(MP exp) CPCC(Br)I -12.6PredN
PCC(C)(Br)I13153280.871C3H7BrIP(2-bromo-2-iodopropyl)phosphaneN136PCC(C)(Br)IInChI=1S/C3H7BrIP/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=KBTITRWWEPVRCS-UHFFFAOYSA-N215.0Ex 215.02(BP est) 6.97(MP est) ----(BP exp) ----(MP exp) PCC(C)(Br)I 7PredN
PCC(Br)CI13154280.871C3H7BrIP(2-bromo-3-iodopropyl)phosphaneN136PCC(Br)CIInChI=1S/C3H7BrIP/c4-3(1-5)2-6/h3H,1-2,6H2InChIKey=CMZKXGXHJKXACW-UHFFFAOYSA-N222.6Ex 222.56(BP est) 0.47(MP est) ----(BP exp) ----(MP exp) PCC(Br)CI 0.5PredN
ICPCCBr13155280.871C3H7BrIP(2-bromoethyl)(iodomethyl)phosphaneN136ICPCCBrInChI=1S/C3H7BrIP/c4-1-2-6-3-5/h6H,1-3H2InChIKey=SILLARRMJQSYFT-UHFFFAOYSA-N217.7Ex 217.70(BP est) -1.64(MP est) ----(BP exp) ----(MP exp) ICPCCBr -1.6PredN
PC(I)CCBr13156280.871C3H7BrIP(3-bromo-1-iodopropyl)phosphaneN136PC(I)CCBrInChI=1S/C3H7BrIP/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=COJPJKGMJFGGOE-UHFFFAOYSA-N222.6Ex 222.56(BP est) 0.47(MP est) ----(BP exp) ----(MP exp) PC(I)CCBr 0.5PredN
PCC(I)CBr13157280.871C3H7BrIP(3-bromo-2-iodopropyl)phosphaneN136PCC(I)CBrInChI=1S/C3H7BrIP/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=CSPJSKYRKJKLJL-UHFFFAOYSA-N222.6Ex 222.56(BP est) 0.47(MP est) ----(BP exp) ----(MP exp) PCC(I)CBr 0.5PredN
PCCC(Br)I13158280.871C3H7BrIP(3-bromo-3-iodopropyl)phosphaneN136PCCC(Br)IInChI=1S/C3H7BrIP/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=KPNHTHLCZULOST-UHFFFAOYSA-N222.6Ex 222.56(BP est) 0.47(MP est) ----(BP exp) ----(MP exp) PCCC(Br)I 0.5PredN
BrC(PCC)I13159280.871C3H7BrIP(bromoiodomethyl)(ethyl)phosphaneN136BrC(PCC)IInChI=1S/C3H7BrIP/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=VZRMERXOBIEJAJ-UHFFFAOYSA-N206.0Ex 206.02(BP est) -12.55(MP est) ----(BP exp) ----(MP exp) BrC(PCC)I -12.6PredN
CP(C)C(Br)I13160280.871C3H7BrIP(bromoiodomethyl)dimethylphosphaneN136CP(C)C(Br)IInChI=1S/C3H7BrIP/c1-6(2)3(4)5/h3H,1-2H3InChIKey=HWLGFYRNJFZQOH-UHFFFAOYSA-N206.8Ex 206.81(BP est) -13.00(MP est) ----(BP exp) ----(MP exp) CP(C)C(Br)I -13PredN
BrCPC(I)C13161280.871C3H7BrIP(bromomethyl)(1-iodoethyl)phosphaneN136BrCPC(I)CInChI=1S/C3H7BrIP/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=RZWZVQMMTWVLEA-UHFFFAOYSA-N206.0Ex 206.02(BP est) -12.55(MP est) ----(BP exp) ----(MP exp) BrCPC(I)C -12.6PredN
BrCPCCI13162280.871C3H7BrIP(bromomethyl)(2-iodoethyl)phosphaneN136BrCPCCIInChI=1S/C3H7BrIP/c4-3-6-2-1-5/h6H,1-3H2InChIKey=VMXWLZLPWNJGTG-UHFFFAOYSA-N217.7Ex 217.70(BP est) -1.64(MP est) ----(BP exp) ----(MP exp) BrCPCCI -1.6PredN
CP(CBr)CI13163280.871C3H7BrIP(bromomethyl)(iodomethyl)(methyl)phosphaneN136CP(CBr)CIInChI=1S/C3H7BrIP/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=XGPMEQJBBFMAAC-UHFFFAOYSA-N218.5Ex 218.46(BP est) -2.10(MP est) ----(BP exp) ----(MP exp) CP(CBr)CI -2.1PredN
C(C1I)(C1(Br)Cl)13165281.315C3H3BrClI1-bromo-1-chloro-2-iodocyclopropaneN96C(C1I)(C1(Br)Cl)InChI=1S/C3H3BrClI/c4-3(5)1-2(3)6/h2H,1H2InChIKey=RJJMCSLEGIFUSV-UHFFFAOYSA-N203.5Ex 203.46(BP est) 20.47(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1(Br)Cl) 20.5PredN
C(C(I)=C(Br)Cl)13166281.315C3H3BrClI1-bromo-1-chloro-2-iodoprop-1-eneN96C(C(I)=C(Br)Cl)InChI=1S/C3H3BrClI/c1-2(6)3(4)5/h1H3InChIKey=BXWSNYPUDVDFPL-UHFFFAOYSA-N209.8Ex 209.75(BP est) -13.00(MP est) ----(BP exp) ----(MP exp) C(C(I)=C(Br)Cl) -13PredN
C(I)(C=C(Br)Cl)13167281.315C3H3BrClI1-bromo-1-chloro-3-iodoprop-1-eneN96C(I)(C=C(Br)Cl)InChI=1S/C3H3BrClI/c4-3(5)1-2-6/h1H,2H2InChIKey=AQXCYWFFSOIMPL-UHFFFAOYSA-N215.0Ex 215.03(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) C(I)(C=C(Br)Cl) -4.5PredN
C(C1Cl)(C1(Br)I)13168281.315C3H3BrClI1-bromo-2-chloro-1-iodocyclopropaneN96C(C1Cl)(C1(Br)I)InChI=1S/C3H3BrClI/c4-3(6)1-2(3)5/h2H,1H2InChIKey=LWNHIRMLPNGFGX-UHFFFAOYSA-N214.1Ex 214.08(BP est) 23.56(MP est) ----(BP exp) ----(MP exp) C(C1Cl)(C1(Br)I) 23.6PredN
C(C(Cl)=C(Br)I)13169281.315C3H3BrClI1-bromo-2-chloro-1-iodoprop-1-eneN96C(C(Cl)=C(Br)I)InChI=1S/C3H3BrClI/c1-2(5)3(4)6/h1H3InChIKey=XEGFUBXCICUDLG-UHFFFAOYSA-N209.8Ex 209.75(BP est) -13.00(MP est) ----(BP exp) ----(MP exp) C(C(Cl)=C(Br)I) -13PredN
C(Cl)(C1Br)(C1I)13170281.315C3H3BrClI1-bromo-2-chloro-3-iodocyclopropaneN96C(Cl)(C1Br)(C1I)InChI=1S/C3H3BrClI/c4-1-2(5)3(1)6/h1-3HInChIKey=YPYMOWBJRSFAQS-UHFFFAOYSA-N218.6Ex 218.63(BP est) 10.82(MP est) ----(BP exp) ----(MP exp) C(Cl)(C1Br)(C1I) 10.8PredN
C(I)(C(Cl)=CBr)13171281.315C3H3BrClI1-bromo-2-chloro-3-iodoprop-1-eneN96C(I)(C(Cl)=CBr)InChI=1S/C3H3BrClI/c4-1-3(5)2-6/h1H,2H2InChIKey=VLJJRYZJHDEYEE-UHFFFAOYSA-N215.0Ex 215.03(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)=CBr) -4.5PredN
C(Cl)(C=C(Br)I)13172281.315C3H3BrClI1-bromo-3-chloro-1-iodoprop-1-eneN96C(Cl)(C=C(Br)I)InChI=1S/C3H3BrClI/c4-3(6)1-2-5/h1H,2H2InChIKey=WGDVFTDGIPMDNO-UHFFFAOYSA-N237.1Ex 237.06(BP est) 1.95(MP est) ----(BP exp) ----(MP exp) C(Cl)(C=C(Br)I) 2PredN
C(Cl)(C(I)=CBr)13173281.315C3H3BrClI1-bromo-3-chloro-2-iodoprop-1-eneN96C(Cl)(C(I)=CBr)InChI=1S/C3H3BrClI/c4-1-3(6)2-5/h1H,2H2InChIKey=RWAALTZOIAOBBG-UHFFFAOYSA-N237.1Ex 237.06(BP est) 1.95(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)=CBr) 2PredN
C(Cl)(I)(C=CBr)13174281.315C3H3BrClI1-bromo-3-chloro-3-iodoprop-1-eneN96C(Cl)(I)(C=CBr)InChI=1S/C3H3BrClI/c4-2-1-3(5)6/h1-3HInChIKey=NLKDZDILEQWSSU-UHFFFAOYSA-N220.8Ex 220.81(BP est) -3.31(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C=CBr) -3.3PredN
C(C1Br)(C1(Cl)I)13175281.315C3H3BrClI2-bromo-1-chloro-1-iodocyclopropaneN96C(C1Br)(C1(Cl)I)InChI=1S/C3H3BrClI/c4-2-1-3(2,5)6/h2H,1H2InChIKey=OTKLEYWMJKYZDL-UHFFFAOYSA-N203.5Ex 203.46(BP est) 20.47(MP est) ----(BP exp) ----(MP exp) C(C1Br)(C1(Cl)I) 20.5PredN
C(C(Br)=C(Cl)I)13176281.315C3H3BrClI2-bromo-1-chloro-1-iodoprop-1-eneN96C(C(Br)=C(Cl)I)InChI=1S/C3H3BrClI/c1-2(4)3(5)6/h1H3InChIKey=GAVKILDEXLKQIH-UHFFFAOYSA-N209.8Ex 209.75(BP est) -13.00(MP est) ----(BP exp) ----(MP exp) C(C(Br)=C(Cl)I) -13PredN
C(I)(C(Br)=CCl)13177281.315C3H3BrClI2-bromo-1-chloro-3-iodoprop-1-eneN96C(I)(C(Br)=CCl)InChI=1S/C3H3BrClI/c4-3(1-5)2-6/h1H,2H2InChIKey=UXMUZSOIQLAEFK-UHFFFAOYSA-N215.0Ex 215.03(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)=CCl) -4.5PredN
C(Cl)(C(Br)=CI)13178281.315C3H3BrClI2-bromo-3-chloro-1-iodoprop-1-eneN96C(Cl)(C(Br)=CI)InChI=1S/C3H3BrClI/c4-3(1-5)2-6/h2H,1H2InChIKey=OJVOWGBPDUEKEV-UHFFFAOYSA-N237.1Ex 237.06(BP est) 1.95(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)=CI) 2PredN
C(Cl)(I)(C(Br)=C)13179281.315C3H3BrClI2-bromo-3-chloro-3-iodoprop-1-eneN96C(Cl)(I)(C(Br)=C)InChI=1S/C3H3BrClI/c1-2(4)3(5)6/h3H,1H2InChIKey=BLCGQPCSEYRBFK-UHFFFAOYSA-N208.2Ex 208.20(BP est) -12.31(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C(Br)=C) -12.3PredN
C(Br)(C=C(Cl)I)13180281.315C3H3BrClI3-bromo-1-chloro-1-iodoprop-1-eneN96C(Br)(C=C(Cl)I)InChI=1S/C3H3BrClI/c4-2-1-3(5)6/h1H,2H2InChIKey=NHTJDEBRDQLHGS-UHFFFAOYSA-N215.0Ex 215.03(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) C(Br)(C=C(Cl)I) -4.5PredN
C(Br)(C(I)=CCl)13181281.315C3H3BrClI3-bromo-1-chloro-2-iodoprop-1-eneN96C(Br)(C(I)=CCl)InChI=1S/C3H3BrClI/c4-1-3(6)2-5/h2H,1H2InChIKey=CQWZXWILDBYWPD-UHFFFAOYSA-N215.0Ex 215.03(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) C(Br)(C(I)=CCl) -4.5PredN
C(Br)(I)(C=CCl)13182281.315C3H3BrClI3-bromo-1-chloro-3-iodoprop-1-eneN96C(Br)(I)(C=CCl)InChI=1S/C3H3BrClI/c4-3(6)1-2-5/h1-3HInChIKey=ANOGNAIDSAAQLR-UHFFFAOYSA-N208.6Ex 208.64(BP est) -6.86(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C=CCl) -6.9PredN
C(Br)(C(Cl)=CI)13183281.315C3H3BrClI3-bromo-2-chloro-1-iodoprop-1-eneN96C(Br)(C(Cl)=CI)InChI=1S/C3H3BrClI/c4-1-3(5)2-6/h2H,1H2InChIKey=AXKSCZQEXNDVJX-UHFFFAOYSA-N215.0Ex 215.03(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)=CI) -4.5PredN
C(Br)(I)(C(Cl)=C)13184281.315C3H3BrClI3-bromo-2-chloro-3-iodoprop-1-eneN96C(Br)(I)(C(Cl)=C)InChI=1S/C3H3BrClI/c1-2(5)3(4)6/h3H,1H2InChIKey=OXQIMQMLZXGIMJ-UHFFFAOYSA-N195.7Ex 195.65(BP est) -15.97(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C(Cl)=C) -16PredN
C(Br)(Cl)(C=CI)13185281.315C3H3BrClI3-bromo-3-chloro-1-iodoprop-1-eneN96C(Br)(Cl)(C=CI)InChI=1S/C3H3BrClI/c4-3(5)1-2-6/h1-3HInChIKey=MEETZXLAZXMKDG-UHFFFAOYSA-N220.8Ex 220.81(BP est) -3.31(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C=CI) -3.3PredN
C(Br)(Cl)(C(I)=C)13186281.315C3H3BrClI3-bromo-3-chloro-2-iodoprop-1-eneN96C(Br)(Cl)(C(I)=C)InChI=1S/C3H3BrClI/c1-2(6)3(4)5/h3H,1H2InChIKey=AMAOGKQAJCVLNN-UHFFFAOYSA-N208.2Ex 208.20(BP est) -12.31(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C(I)=C) -12.3PredN
C(Br)(Cl)(I)(C=C)13187281.315C3H3BrClI3-bromo-3-chloro-3-iodoprop-1-eneN96C(Br)(Cl)(I)(C=C)InChI=1S/C3H3BrClI/c1-2-3(4,5)6/h2H,1H2InChIKey=IIHKZJVNYXWRMA-UHFFFAOYSA-N195.0Ex 194.96(BP est) -0.49(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(I)(C=C) -0.5PredN
CNC(Br)(Br)(Br)13189281.773C2H4Br3N1,1,1-tribromo-N-methylmethanamineN106CNC(Br)(Br)(Br)InChI=1S/C2H4Br3N/c1-6-2(3,4)5/h6H,1H3InChIKey=BTMQVCHDBMXXQZ-UHFFFAOYSA-N217.3Ex 217.26(BP est) 33.34(MP est) ----(BP exp) ----(MP exp) CNC(Br)(Br)(Br) 33.3PredN
NC(Br)(Br)(CBr)13190281.773C2H4Br3N1,1,2-tribromoethan-1-amineN106NC(Br)(Br)(CBr)InChI=1S/C2H4Br3N/c3-1-2(4,5)6/h1,6H2InChIKey=ZVBQHAOGOHQAOK-UHFFFAOYSA-N231.9Ex 231.93(BP est) 42.38(MP est) ----(BP exp) ----(MP exp) NC(Br)(Br)(CBr) 42.4PredN
C(Br)NC(Br)(Br)13191281.773C2H4Br3N1,1-dibromo-N-(bromomethyl)methanamineN106C(Br)NC(Br)(Br)InChI=1S/C2H4Br3N/c3-1-6-2(4)5/h2,6H,1H2InChIKey=YZZWCXCBZUUOAP-UHFFFAOYSA-N224.8Ex 224.77(BP est) 36.89(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Br)(Br) 36.9PredN
NC(Br)(C(Br)Br)13192281.773C2H4Br3N1,2,2-tribromoethan-1-amineN106NC(Br)(C(Br)Br)InChI=1S/C2H4Br3N/c3-1(4)2(5)6/h1-2H,6H2InChIKey=YXNHFFVOODPGDG-UHFFFAOYSA-N228.1Ex 228.11(BP est) 36.96(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Br)Br) 37PredN
NC(C(Br)(Br)Br)13193281.773C2H4Br3N2,2,2-tribromoethan-1-amineN106NC(C(Br)(Br)Br)InChI=1S/C2H4Br3N/c3-2(4,5)1-6/h1,6H2InChIKey=XMWJVAGGHXKRKL-UHFFFAOYSA-N231.9Ex 231.93(BP est) 42.38(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(Br)Br) 42.4PredN
IC(I)=O13194281.819CI2Ocarbonic diiodideN44IC(I)=OInChI=1S/CI2O/c2-1(3)4InChIKey=RVIQSSNDHKQZHH-UHFFFAOYSA-N212.7Ex 212.72(BP est) 2.23(MP est) ----(BP exp) ----(MP exp) IC(I)=O 2.2PredY(Gribble 2003)
C(C(I)I)13195281.863C2H4I21,1-diiodoethaneN84C(C(I)I)InChI=1S/C2H4I2/c1-2(3)4/h2H,1H3InChIKey=JNVXRQOSRUDXDY-UHFFFAOYSA-N179.0Ex 181.55(BP est) -33.70(MP est) 179.50(BP exp) ----(MP exp) C(C(I)I) -33.7PredN
C(I)(CI)13196281.863C2H4I21,2-diiodoethaneN84C(I)(CI)InChI=1S/C2H4I2/c3-1-2-4/h1-2H2InChIKey=GBBZLMLLFVFKJM-UHFFFAOYSA-N200.0Ex 193.88(BP est) -22.60(MP est) 200.00(BP exp) 83.00(MP exp) C(I)(CI) 83ExptN
C(Br)(Br)=C(Br)(F)13198282.732C2Br3F1,1,2-tribromo-2-fluoroetheneN66C(Br)(Br)=C(Br)(F)InChI=1S/C2Br3F/c3-1(4)2(5)6InChIKey=GXDSTINOBUJMCU-UHFFFAOYSA-N197.5Ex 197.49(BP est) -6.11(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)=C(Br)(F) -6.1PredN
PC(Br)=C(F)I13199282.819C2H2BrFIP(1-bromo-2-fluoro-2-iodovinyl)phosphaneN86PC(Br)=C(F)IInChI=1S/C2H2BrFIP/c3-1(6)2(4)5/h6H2InChIKey=ZUOPTXMQMAEASY-UHFFFAOYSA-N212.3Ex 212.30(BP est) -16.87(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(F)I -16.9PredN
PC(F)=C(Br)I13200282.819C2H2BrFIP(2-bromo-1-fluoro-2-iodovinyl)phosphaneN86PC(F)=C(Br)IInChI=1S/C2H2BrFIP/c3-1(5)2(4)6/h6H2InChIKey=MGIQLMJJFGOGKH-UHFFFAOYSA-N212.3Ex 212.30(BP est) -16.87(MP est) ----(BP exp) ----(MP exp) PC(F)=C(Br)I -16.9PredN
PC(I)=C(Br)F13201282.819C2H2BrFIP(2-bromo-2-fluoro-1-iodovinyl)phosphaneN86PC(I)=C(Br)FInChI=1S/C2H2BrFIP/c3-1(4)2(5)6/h6H2InChIKey=IBHWKSQCKMFAAQ-UHFFFAOYSA-N212.3Ex 212.30(BP est) -16.87(MP est) ----(BP exp) ----(MP exp) PC(I)=C(Br)F -16.9PredN
IC1C(F)(Br)P113202282.819C2H2BrFIP2-bromo-2-fluoro-3-iodophosphiraneN86IC1C(F)(Br)P1InChI=1S/C2H2BrFIP/c3-2(4)1(5)6-2/h1,6HInChIKey=RTGLPCQIVMRGKU-UHFFFAOYSA-N185.2Ex 185.15(BP est) 4.08(MP est) ----(BP exp) ----(MP exp) IC1C(F)(Br)P1 4.1PredN
FC1C(I)(Br)P113203282.819C2H2BrFIP2-bromo-3-fluoro-2-iodophosphiraneN86FC1C(I)(Br)P1InChI=1S/C2H2BrFIP/c3-2(5)1(4)6-2/h1,6HInChIKey=GUUFGJLGSQZGPB-UHFFFAOYSA-N185.2Ex 185.15(BP est) 4.08(MP est) ----(BP exp) ----(MP exp) FC1C(I)(Br)P1 4.1PredN
BrC1C(I)(F)P113204282.819C2H2BrFIP3-bromo-2-fluoro-2-iodophosphiraneN86BrC1C(I)(F)P1InChI=1S/C2H2BrFIP/c3-1-2(4,5)6-1/h1,6HInChIKey=LWSXVFAZSTXKIC-UHFFFAOYSA-N185.2Ex 185.15(BP est) 4.08(MP est) ----(BP exp) ----(MP exp) BrC1C(I)(F)P1 4.1PredN
BrC(POC)I13205282.843C2H5BrIOP(bromoiodomethyl)(methoxy)phosphaneN116BrC(POC)IInChI=1S/C2H5BrIOP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=CTOZNRCLHXBMRV-UHFFFAOYSA-N206.8Ex 206.79(BP est) -6.84(MP est) ----(BP exp) ----(MP exp) BrC(POC)I -6.8PredN
O=P(C)C(Br)I13206282.843C2H5BrIOP(bromoiodomethyl)(methyl)phosphine oxideN116O=P(C)C(Br)IInChI=1S/C2H5BrIOP/c1-6(5)2(3)4/h2,6H,1H3InChIKey=ODJDASLVNZNIGE-UHFFFAOYSA-N239.1Ex 239.07(BP est) 8.96(MP est) ----(BP exp) ----(MP exp) O=P(C)C(Br)I 9PredN
O=P(CBr)CI13207282.843C2H5BrIOP(bromomethyl)(iodomethyl)phosphine oxideN116O=P(CBr)CIInChI=1S/C2H5BrIOP/c3-1-6(5)2-4/h6H,1-2H2InChIKey=LWMAJWQJMPQYCU-UHFFFAOYSA-N249.8Ex 249.78(BP est) 19.59(MP est) ----(BP exp) ----(MP exp) O=P(CBr)CI 19.6PredN
NC(I)(I)13208282.851CH3I2NdiiodomethanamineN74NC(I)(I)InChI=1S/CH3I2N/c2-1(3)4/h1H,4H2InChIKey=QYFFJYKHNDDLBQ-UHFFFAOYSA-N214.6Ex 214.56(BP est) 11.93(MP est) ----(BP exp) ----(MP exp) NC(I)(I) 11.9PredN
IC1C(Br)(F)S113209282.897C2HBrFIS2-bromo-2-fluoro-3-iodothiiraneN76IC1C(Br)(F)S1InChI=1S/C2HBrFIS/c3-2(4)1(5)6-2/h1HInChIKey=CJSKNWKPXGPDNM-UHFFFAOYSA-N208.7Ex 208.70(BP est) 29.68(MP est) ----(BP exp) ----(MP exp) IC1C(Br)(F)S1 29.7PredN
FC1C(Br)(I)S113210282.897C2HBrFIS2-bromo-3-fluoro-2-iodothiiraneN76FC1C(Br)(I)S1InChI=1S/C2HBrFIS/c3-2(5)1(4)6-2/h1HInChIKey=MEOREPSJFRYDIS-UHFFFAOYSA-N208.7Ex 208.70(BP est) 29.68(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(I)S1 29.7PredN
BrC1C(F)(I)S113211282.897C2HBrFIS3-bromo-2-fluoro-2-iodothiiraneN76BrC1C(F)(I)S1InChI=1S/C2HBrFIS/c3-1-2(4,5)6-1/h1HInChIKey=IOIBRKNIPODCBN-UHFFFAOYSA-N208.7Ex 208.70(BP est) 29.68(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(I)S1 29.7PredN
C(CC(Br)(Cl)I)13212283.331C3H5BrClI1-bromo-1-chloro-1-iodopropaneN116C(CC(Br)(Cl)I)InChI=1S/C3H5BrClI/c1-2-3(4,5)6/h2H2,1H3InChIKey=CVLLXCCZUVOHKB-UHFFFAOYSA-N196.5Ex 196.46(BP est) 0.83(MP est) ----(BP exp) ----(MP exp) C(CC(Br)(Cl)I) 0.8PredN
C(C(I)C(Br)Cl)13213283.331C3H5BrClI1-bromo-1-chloro-2-iodopropaneN116C(C(I)C(Br)Cl)InChI=1S/C3H5BrClI/c1-2(6)3(4)5/h2-3H,1H3InChIKey=YCBZRFVCVLIYPL-UHFFFAOYSA-N203.2Ex 203.19(BP est) -13.42(MP est) ----(BP exp) ----(MP exp) C(C(I)C(Br)Cl) -13.4PredN
C(I)(CC(Br)Cl)13214283.331C3H5BrClI1-bromo-1-chloro-3-iodopropaneN116C(I)(CC(Br)Cl)InChI=1S/C3H5BrClI/c4-3(5)1-2-6/h3H,1-2H2InChIKey=RUXIDICANOWWGE-UHFFFAOYSA-N214.9Ex 214.94(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) C(I)(CC(Br)Cl) -2.5PredN
C(C(Cl)C(Br)I)13215283.331C3H5BrClI1-bromo-2-chloro-1-iodopropaneN116C(C(Cl)C(Br)I)InChI=1S/C3H5BrClI/c1-2(5)3(4)6/h2-3H,1H3InChIKey=NTKZDQFQVDFUIG-UHFFFAOYSA-N203.2Ex 203.19(BP est) -13.42(MP est) ----(BP exp) ----(MP exp) C(C(Cl)C(Br)I) -13.4PredN
C(C(Cl)(I)CBr)13216283.331C3H5BrClI1-bromo-2-chloro-2-iodopropaneN116C(C(Cl)(I)CBr)InChI=1S/C3H5BrClI/c1-3(5,6)2-4/h2H2,1H3InChIKey=JNWSRXICEDYXHA-UHFFFAOYSA-N196.5Ex 196.46(BP est) 0.83(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(I)CBr) 0.8PredN
C(Br)(C(Cl)CI)13217283.331C3H5BrClI1-bromo-2-chloro-3-iodopropaneN116C(Br)(C(Cl)CI)InChI=1S/C3H5BrClI/c4-1-3(5)2-6/h3H,1-2H2InChIKey=CHWCJLMEAWDJOM-UHFFFAOYSA-N214.9Ex 214.94(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)CI) -2.5PredN
C(Cl)(CC(Br)I)13218283.331C3H5BrClI1-bromo-3-chloro-1-iodopropaneN116C(Cl)(CC(Br)I)InChI=1S/C3H5BrClI/c4-3(6)1-2-5/h3H,1-2H2InChIKey=WTOQKUYSMQSPFP-UHFFFAOYSA-N225.3Ex 225.29(BP est) 0.54(MP est) ----(BP exp) ----(MP exp) C(Cl)(CC(Br)I) 0.5PredN
C(Cl)(C(I)CBr)13219283.331C3H5BrClI1-bromo-3-chloro-2-iodopropaneN116C(Cl)(C(I)CBr)InChI=1S/C3H5BrClI/c4-1-3(6)2-5/h3H,1-2H2InChIKey=ADCUVYZWMWAJCF-UHFFFAOYSA-N225.3Ex 225.29(BP est) 0.54(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)CBr) 0.5PredN
C(C(Br)C(Cl)I)13220283.331C3H5BrClI2-bromo-1-chloro-1-iodopropaneN116C(C(Br)C(Cl)I)InChI=1S/C3H5BrClI/c1-2(4)3(5)6/h2-3H,1H3InChIKey=HLPSAANXHMEXJI-UHFFFAOYSA-N203.2Ex 203.19(BP est) -13.42(MP est) ----(BP exp) ----(MP exp) C(C(Br)C(Cl)I) -13.4PredN
C(C(Br)(I)CCl)13221283.331C3H5BrClI2-bromo-1-chloro-2-iodopropaneN116C(C(Br)(I)CCl)InChI=1S/C3H5BrClI/c1-3(4,6)2-5/h2H2,1H3InChIKey=ILSQNKCZAQNFLF-UHFFFAOYSA-N217.8Ex 217.80(BP est) 7.06(MP est) ----(BP exp) ----(MP exp) C(C(Br)(I)CCl) 7.1PredN
C(Cl)(C(Br)CI)13222283.331C3H5BrClI2-bromo-1-chloro-3-iodopropaneN116C(Cl)(C(Br)CI)InChI=1S/C3H5BrClI/c4-3(1-5)2-6/h3H,1-2H2InChIKey=QXBKPHGZNCZJCJ-UHFFFAOYSA-N225.3Ex 225.29(BP est) 0.54(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)CI) 0.5PredN
C(C(Br)(Cl)CI)13223283.331C3H5BrClI2-bromo-2-chloro-1-iodopropaneN116C(C(Br)(Cl)CI)InChI=1S/C3H5BrClI/c1-3(4,5)2-6/h2H2,1H3InChIKey=VKBZMMJZRCLHED-UHFFFAOYSA-N196.5Ex 196.46(BP est) 0.83(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Cl)CI) 0.8PredN
C(Br)(CC(Cl)I)13224283.331C3H5BrClI3-bromo-1-chloro-1-iodopropaneN116C(Br)(CC(Cl)I)InChI=1S/C3H5BrClI/c4-2-1-3(5)6/h3H,1-2H2InChIKey=DPXBRAFTGOULBO-UHFFFAOYSA-N214.9Ex 214.94(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) C(Br)(CC(Cl)I) -2.5PredN
CNC(Br)(Cl)(I)13225284.319C2H4BrClIN1-bromo-1-chloro-1-iodo-N-methylmethanamineN106CNC(Br)(Cl)(I)InChI=1S/C2H4BrClIN/c1-6-2(3,4)5/h6H,1H3InChIKey=XMLCBGKOMUVMIO-UHFFFAOYSA-N213.6Ex 213.57(BP est) 26.52(MP est) ----(BP exp) ----(MP exp) CNC(Br)(Cl)(I) 26.5PredN
NC(Br)(Cl)(CI)13226284.319C2H4BrClIN1-bromo-1-chloro-2-iodoethan-1-amineN106NC(Br)(Cl)(CI)InChI=1S/C2H4BrClIN/c3-2(4,6)1-5/h1,6H2InChIKey=SVQWQMFTNBFJQG-UHFFFAOYSA-N228.4Ex 228.37(BP est) 37.32(MP est) ----(BP exp) ----(MP exp) NC(Br)(Cl)(CI) 37.3PredN
C(I)NC(Br)(Cl)13227284.319C2H4BrClIN1-bromo-1-chloro-N-(iodomethyl)methanamineN106C(I)NC(Br)(Cl)InChI=1S/C2H4BrClIN/c3-2(4)6-1-5/h2,6H,1H2InChIKey=FCGHVVCIAPMTNM-UHFFFAOYSA-N231.3Ex 231.31(BP est) 22.99(MP est) ----(BP exp) ----(MP exp) C(I)NC(Br)(Cl) 23PredN
NC(Br)(I)(CCl)13228284.319C2H4BrClIN1-bromo-2-chloro-1-iodoethan-1-amineN106NC(Br)(I)(CCl)InChI=1S/C2H4BrClIN/c3-2(5,6)1-4/h1,6H2InChIKey=DPOHHBOOJPFYAG-UHFFFAOYSA-N248.1Ex 248.09(BP est) 45.00(MP est) ----(BP exp) ----(MP exp) NC(Br)(I)(CCl) 45PredN
NC(Br)(C(Cl)I)13229284.319C2H4BrClIN1-bromo-2-chloro-2-iodoethan-1-amineN106NC(Br)(C(Cl)I)InChI=1S/C2H4BrClIN/c3-1(6)2(4)5/h1-2H,6H2InChIKey=MXIBXFRSEYCJRG-UHFFFAOYSA-N234.6Ex 234.60(BP est) 31.75(MP est) ----(BP exp) ----(MP exp) NC(Br)(C(Cl)I) 31.8PredN
C(Cl)NC(Br)(I)13230284.319C2H4BrClIN1-bromo-N-(chloromethyl)-1-iodomethanamineN106C(Cl)NC(Br)(I)InChI=1S/C2H4BrClIN/c3-2(5)6-1-4/h2,6H,1H2InChIKey=LMDYNUCZEBPBQQ-UHFFFAOYSA-N241.2Ex 241.24(BP est) 25.89(MP est) ----(BP exp) ----(MP exp) C(Cl)NC(Br)(I) 25.9PredN
NC(Cl)(I)(CBr)13231284.319C2H4BrClIN2-bromo-1-chloro-1-iodoethan-1-amineN106NC(Cl)(I)(CBr)InChI=1S/C2H4BrClIN/c3-1-2(4,5)6/h1,6H2InChIKey=SIFKGOPCDSXCDN-UHFFFAOYSA-N228.4Ex 228.37(BP est) 37.32(MP est) ----(BP exp) ----(MP exp) NC(Cl)(I)(CBr) 37.3PredN
NC(Cl)(C(Br)I)13232284.319C2H4BrClIN2-bromo-1-chloro-2-iodoethan-1-amineN106NC(Cl)(C(Br)I)InChI=1S/C2H4BrClIN/c3-1(5)2(4)6/h1-2H,6H2InChIKey=DZVXCCKYGODIGI-UHFFFAOYSA-N234.6Ex 234.60(BP est) 31.75(MP est) ----(BP exp) ----(MP exp) NC(Cl)(C(Br)I) 31.8PredN
NC(I)(C(Br)Cl)13233284.319C2H4BrClIN2-bromo-2-chloro-1-iodoethan-1-amineN106NC(I)(C(Br)Cl)InChI=1S/C2H4BrClIN/c3-1(4)2(5)6/h1-2H,6H2InChIKey=YJTPIDTVNAERLE-UHFFFAOYSA-N234.6Ex 234.60(BP est) 31.75(MP est) ----(BP exp) ----(MP exp) NC(I)(C(Br)Cl) 31.8PredN
NC(C(Br)(Cl)I)13234284.319C2H4BrClIN2-bromo-2-chloro-2-iodoethan-1-amineN106NC(C(Br)(Cl)I)InChI=1S/C2H4BrClIN/c3-2(4,5)1-6/h1,6H2InChIKey=XVMNZTJOOXRGAG-UHFFFAOYSA-N228.4Ex 228.37(BP est) 37.32(MP est) ----(BP exp) ----(MP exp) NC(C(Br)(Cl)I) 37.3PredN
C(Br)NC(Cl)(I)13235284.319C2H4BrClINN-(bromomethyl)-1-chloro-1-iodomethanamineN106C(Br)NC(Cl)(I)InChI=1S/C2H4BrClIN/c3-1-6-2(4)5/h2,6H,1H2InChIKey=GGYNCDUCWHSMTO-UHFFFAOYSA-N231.3Ex 231.31(BP est) 22.99(MP est) ----(BP exp) ----(MP exp) C(Br)NC(Cl)(I) 23PredN
PC(Br)(Br)Br13237284.713CH2Br3P(tribromomethyl)phosphaneN75PC(Br)(Br)BrInChI=1S/CH2Br3P/c2-1(3,4)5/h5H2InChIKey=LGFPVLCPONVNQD-UHFFFAOYSA-N210.8Ex 210.78(BP est) 25.24(MP est) ----(BP exp) ----(MP exp) PC(Br)(Br)Br 25.2PredN
C(F)(C(Br)(Br)Br)13238284.748C2H2Br3F1,1,1-tribromo-2-fluoroethaneN86C(F)(C(Br)(Br)Br)InChI=1S/C2H2Br3F/c3-2(4,5)1-6/h1H2InChIKey=OXNGNBHGFPJLTC-UHFFFAOYSA-N182.0Ex 181.99(BP est) 7.07(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(Br)Br) 7.1PredN
C(Br)(C(Br)(Br)F)13239284.748C2H2Br3F1,1,2-tribromo-1-fluoroethaneN86C(Br)(C(Br)(Br)F)InChI=1S/C2H2Br3F/c3-1-2(4,5)6/h1H2InChIKey=WGBLBSMTZHIANX-UHFFFAOYSA-N182.0Ex 181.99(BP est) 7.07(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)(Br)F) 7.1PredN
C(Br)(Br)(C(Br)F)13240284.748C2H2Br3F1,1,2-tribromo-2-fluoroethaneN86C(Br)(Br)(C(Br)F)InChI=1S/C2H2Br3F/c3-1(4)2(5)6/h1-2HInChIKey=NYKMIMLUSYUSBV-UHFFFAOYSA-N177.7Ex 177.69(BP est) -10.39(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C(Br)F) -10.4PredN
O=PC(I)(Br)F13241284.791CBrFIOP(bromofluoroiodomethyl)(oxo)phosphaneN66O=PC(I)(Br)FInChI=1S/CBrFIOP/c2-1(3,4)6-5InChIKey=SBBNIWNNQJXCIN-UHFFFAOYSA-N216.6Ex 216.64(BP est) 13.97(MP est) ----(BP exp) ----(MP exp) O=PC(I)(Br)F 14PredN
PC(CI)(Br)F13242284.835C2H4BrFIP(1-bromo-1-fluoro-2-iodoethyl)phosphaneN106PC(CI)(Br)FInChI=1S/C2H4BrFIP/c3-2(4,6)1-5/h1,6H2InChIKey=LIGZDNQDDHQTRA-UHFFFAOYSA-N197.3Ex 197.31(BP est) -3.54(MP est) ----(BP exp) ----(MP exp) PC(CI)(Br)F -3.5PredN
PC(CF)(Br)I13243284.835C2H4BrFIP(1-bromo-2-fluoro-1-iodoethyl)phosphaneN106PC(CF)(Br)IInChI=1S/C2H4BrFIP/c3-2(5,6)1-4/h1,6H2InChIKey=HBFLZIAZLXNOHR-UHFFFAOYSA-N197.3Ex 197.31(BP est) -3.54(MP est) ----(BP exp) ----(MP exp) PC(CF)(Br)I -3.5PredN
PC(Br)C(F)I13244284.835C2H4BrFIP(1-bromo-2-fluoro-2-iodoethyl)phosphaneN106PC(Br)C(F)IInChI=1S/C2H4BrFIP/c3-1(6)2(4)5/h1-2H,6H2InChIKey=MCMIYCVZMSTYHP-UHFFFAOYSA-N193.2Ex 193.16(BP est) -20.96(MP est) ----(BP exp) ----(MP exp) PC(Br)C(F)I -21PredN
PC(CBr)(F)I13245284.835C2H4BrFIP(2-bromo-1-fluoro-1-iodoethyl)phosphaneN106PC(CBr)(F)IInChI=1S/C2H4BrFIP/c3-1-2(4,5)6/h1,6H2InChIKey=YKGBMMOUVDFQOY-UHFFFAOYSA-N197.3Ex 197.31(BP est) -3.54(MP est) ----(BP exp) ----(MP exp) PC(CBr)(F)I -3.5PredN
PC(F)C(Br)I13246284.835C2H4BrFIP(2-bromo-1-fluoro-2-iodoethyl)phosphaneN106PC(F)C(Br)IInChI=1S/C2H4BrFIP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=USTHOPYEBWFEJD-UHFFFAOYSA-N193.2Ex 193.16(BP est) -20.96(MP est) ----(BP exp) ----(MP exp) PC(F)C(Br)I -21PredN
PC(I)C(Br)F13247284.835C2H4BrFIP(2-bromo-2-fluoro-1-iodoethyl)phosphaneN106PC(I)C(Br)FInChI=1S/C2H4BrFIP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=YRXCEARGCQWYDZ-UHFFFAOYSA-N193.2Ex 193.16(BP est) -20.96(MP est) ----(BP exp) ----(MP exp) PC(I)C(Br)F -21PredN
PCC(I)(Br)F13248284.835C2H4BrFIP(2-bromo-2-fluoro-2-iodoethyl)phosphaneN106PCC(I)(Br)FInChI=1S/C2H4BrFIP/c3-2(4,5)1-6/h1,6H2InChIKey=CQPNPDPUICSXQI-UHFFFAOYSA-N197.3Ex 197.31(BP est) -3.54(MP est) ----(BP exp) ----(MP exp) PCC(I)(Br)F -3.5PredN
CPC(I)(Br)F13249284.835C2H4BrFIP(bromofluoroiodomethyl)(methyl)phosphaneN106CPC(I)(Br)FInChI=1S/C2H4BrFIP/c1-6-2(3,4)5/h6H,1H3InChIKey=KBFDDYIALLBMLJ-UHFFFAOYSA-N179.8Ex 179.77(BP est) -16.84(MP est) ----(BP exp) ----(MP exp) CPC(I)(Br)F -16.8PredN
ICPC(Br)F13250284.835C2H4BrFIP(bromofluoromethyl)(iodomethyl)phosphaneN106ICPC(Br)FInChI=1S/C2H4BrFIP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=LLFFVQVQVNSNJL-UHFFFAOYSA-N187.9Ex 187.94(BP est) -23.17(MP est) ----(BP exp) ----(MP exp) ICPC(Br)F -23.2PredN
FCPC(Br)I13251284.835C2H4BrFIP(bromoiodomethyl)(fluoromethyl)phosphaneN106FCPC(Br)IInChI=1S/C2H4BrFIP/c3-2(5)6-1-4/h2,6H,1H2InChIKey=NBPOQJJADZGFDT-UHFFFAOYSA-N187.9Ex 187.94(BP est) -23.17(MP est) ----(BP exp) ----(MP exp) FCPC(Br)I -23.2PredN
BrCPC(F)I13252284.835C2H4BrFIP(bromomethyl)(fluoroiodomethyl)phosphaneN106BrCPC(F)IInChI=1S/C2H4BrFIP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=KFCNYDSEHGUUTP-UHFFFAOYSA-N187.9Ex 187.94(BP est) -23.17(MP est) ----(BP exp) ----(MP exp) BrCPC(F)I -23.2PredN
CSC(Br)(F)(I)13253284.913C2H3BrFIS(bromofluoroiodomethyl)(methyl)sulfaneN96CSC(Br)(F)(I)InChI=1S/C2H3BrFIS/c1-6-2(3,4)5/h1H3InChIKey=CHZGBDQIBDZUJK-UHFFFAOYSA-N203.9Ex 203.94(BP est) -0.09(MP est) ----(BP exp) ----(MP exp) CSC(Br)(F)(I) -0.1PredN
C(I)SC(Br)(F)13254284.913C2H3BrFIS(bromofluoromethyl)(iodomethyl)sulfaneN96C(I)SC(Br)(F)InChI=1S/C2H3BrFIS/c3-2(4)6-1-5/h2H,1H2InChIKey=SSUFAILEWPCIFV-UHFFFAOYSA-N211.7Ex 211.69(BP est) -6.53(MP est) ----(BP exp) ----(MP exp) C(I)SC(Br)(F) -6.5PredN
C(F)SC(Br)(I)13255284.913C2H3BrFIS(bromoiodomethyl)(fluoromethyl)sulfaneN96C(F)SC(Br)(I)InChI=1S/C2H3BrFIS/c3-2(5)6-1-4/h2H,1H2InChIKey=CTEQHCRGEGNNGK-UHFFFAOYSA-N211.7Ex 211.69(BP est) -6.53(MP est) ----(BP exp) ----(MP exp) C(F)SC(Br)(I) -6.5PredN
C(Br)SC(F)(I)13256284.913C2H3BrFIS(bromomethyl)(fluoroiodomethyl)sulfaneN96C(Br)SC(F)(I)InChI=1S/C2H3BrFIS/c3-1-6-2(4)5/h2H,1H2InChIKey=XVGMIAYWSNZNFH-UHFFFAOYSA-N211.7Ex 211.69(BP est) -6.53(MP est) ----(BP exp) ----(MP exp) C(Br)SC(F)(I) -6.5PredN
C(Br)(Cl)=C(F)(I)13258285.279C2BrClFI1-bromo-1-chloro-2-fluoro-2-iodoetheneN66C(Br)(Cl)=C(F)(I)InChI=1S/C2BrClFI/c3-1(4)2(5)6InChIKey=XNLDMRAXEGVRFL-UHFFFAOYSA-N191.8Ex 191.83(BP est) -23.57(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)=C(F)(I) -23.6PredN
C(Cl)(I)=C(Br)(F)13259285.279C2BrClFI1-bromo-2-chloro-1-fluoro-2-iodoetheneN66C(Cl)(I)=C(Br)(F)InChI=1S/C2BrClFI/c3-1(5)2(4)6InChIKey=QKADHAUMSHWKIY-UHFFFAOYSA-N191.8Ex 191.83(BP est) -23.57(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)=C(Br)(F) -23.6PredN
C(Cl)(F)=C(Br)(I)13260285.279C2BrClFI1-bromo-2-chloro-2-fluoro-1-iodoetheneN66C(Cl)(F)=C(Br)(I)InChI=1S/C2BrClFI/c3-1(6)2(4)5InChIKey=RMZBCOYELGKOKR-UHFFFAOYSA-N191.8Ex 191.83(BP est) -23.57(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(Br)(I) -23.6PredN
C(F)(I)(I)13261285.826CHFI2fluorodiiodomethaneN54C(F)(I)(I)InChI=1S/CHFI2/c2-1(3)4/h1HInChIKey=RIHYOLCRHKZJPJ-UHFFFAOYSA-N125.2Ex 162.48(BP est) -44.61(MP est) 100.30(BP exp) -34.50(MP exp) C(F)(I)(I) -34.5ExptN
C(Br)(Br)(Br)(Cl)13263287.173CBr3CltribromochloromethaneN55C(Br)(Br)(Br)(Cl)InChI=1S/CBr3Cl/c2-1(3,4)5InChIKey=GKXZMEXQUWZGJK-UHFFFAOYSA-N104.3Ex 192.04(BP est) 19.04(MP est) 158.50(BP exp) 55.00(MP exp) C(Br)(Br)(Br)(Cl) 55ExptN
PC(I)(Br)Cl13264287.259CH2BrClIP(bromochloroiodomethyl)phosphaneN75PC(I)(Br)ClInChI=1S/CH2BrClIP/c2-1(3,4)5/h5H2InChIKey=AOSSVEPOKCUQBU-UHFFFAOYSA-N207.0Ex 207.03(BP est) 8.33(MP est) ----(BP exp) ----(MP exp) PC(I)(Br)Cl 8.3PredN
C(I)(C(Br)(Cl)F)13265287.295C2H2BrClFI1-bromo-1-chloro-1-fluoro-2-iodoethaneN86C(I)(C(Br)(Cl)F)InChI=1S/C2H2BrClFI/c3-2(4,5)1-6/h1H2InChIKey=PVRPVGQPDJJKQW-UHFFFAOYSA-N178.0Ex 177.98(BP est) -9.90(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)(Cl)F) -9.9PredN
C(F)(C(Br)(Cl)I)13266287.295C2H2BrClFI1-bromo-1-chloro-2-fluoro-1-iodoethaneN86C(F)(C(Br)(Cl)I)InChI=1S/C2H2BrClFI/c3-2(4,6)1-5/h1H2InChIKey=ZSMGLNRMEUDCNQ-UHFFFAOYSA-N178.0Ex 177.98(BP est) -9.90(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(Cl)I) -9.9PredN
C(Br)(Cl)(C(F)I)13267287.295C2H2BrClFI1-bromo-1-chloro-2-fluoro-2-iodoethaneN86C(Br)(Cl)(C(F)I)InChI=1S/C2H2BrClFI/c3-1(4)2(5)6/h1-2HInChIKey=NUIIRLZJOVEQSP-UHFFFAOYSA-N185.0Ex 184.99(BP est) -24.07(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(C(F)I) -24.1PredN
C(Cl)(C(Br)(F)I)13268287.295C2H2BrClFI1-bromo-2-chloro-1-fluoro-1-iodoethaneN86C(Cl)(C(Br)(F)I)InChI=1S/C2H2BrClFI/c3-2(5,6)1-4/h1H2InChIKey=FIROQNGZSXLSCE-UHFFFAOYSA-N200.2Ex 200.21(BP est) -3.41(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(Br)(F)I) -3.4PredN
C(Cl)(I)(C(Br)F)13269287.295C2H2BrClFI1-bromo-2-chloro-1-fluoro-2-iodoethaneN86C(Cl)(I)(C(Br)F)InChI=1S/C2H2BrClFI/c3-1(5)2(4)6/h1-2HInChIKey=VSLWSQJWNNCTQK-UHFFFAOYSA-N185.0Ex 184.99(BP est) -24.07(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C(Br)F) -24.1PredN
C(Cl)(F)(C(Br)I)13270287.295C2H2BrClFI1-bromo-2-chloro-2-fluoro-1-iodoethaneN86C(Cl)(F)(C(Br)I)InChI=1S/C2H2BrClFI/c3-1(6)2(4)5/h1-2HInChIKey=XXCWERUPGKDOHJ-UHFFFAOYSA-N185.0Ex 184.99(BP est) -24.07(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(Br)I) -24.1PredN
C(Br)(C(Cl)(F)I)13271287.295C2H2BrClFI2-bromo-1-chloro-1-fluoro-1-iodoethaneN86C(Br)(C(Cl)(F)I)InChI=1S/C2H2BrClFI/c3-1-2(4,5)6/h1H2InChIKey=WPEPARCMAWCZPV-UHFFFAOYSA-N178.0Ex 177.98(BP est) -9.90(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Cl)(F)I) -9.9PredN
C(Br)(Cl)(Cl)(I)13274289.719CBrCl2IbromodichloroiodomethaneN55C(Br)(Cl)(Cl)(I)InChI=1S/CBrCl2I/c2-1(3,4)5InChIKey=LQIBXLYNINRTIR-UHFFFAOYSA-N188.1Ex 188.12(BP est) 2.09(MP est) ----(BP exp) ----(MP exp) C(Br)(Cl)(Cl)(I) 2.1PredN
IC(C1)=C1I13276291.858C3H2I21,2-diiodocycloprop-1-eneN75IC(C1)=C1IInChI=1S/C3H2I2/c4-2-1-3(2)5/h1H2InChIKey=FQVXYFHIZWHZFX-UHFFFAOYSA-N221.6Ex 221.63(BP est) 15.13(MP est) ----(BP exp) ----(MP exp) IC(C1)=C1I 15.1PredN
IC1=CC1I13277291.858C3H2I21,3-diiodocycloprop-1-eneN75IC1=CC1IInChI=1S/C3H2I2/c4-2-1-3(2)5/h1-2HInChIKey=BNSGCQHWFAFYMY-UHFFFAOYSA-N217.8Ex 217.75(BP est) 5.62(MP est) ----(BP exp) ----(MP exp) IC1=CC1I 5.6PredN
C(I)(C#CI)13278291.858C3H2I21,3-diiodoprop-1-yneN75C(I)(C#CI)InChI=1S/C3H2I2/c4-2-1-3-5/h2H2InChIKey=MIEYKSSIKKUDFG-UHFFFAOYSA-N227.4Ex 227.35(BP est) 36.93(MP est) ----(BP exp) ----(MP exp) C(I)(C#CI) 36.9PredN
IC1(I)C=C113279291.858C3H2I23,3-diiodocycloprop-1-eneN75IC1(I)C=C1InChI=1S/C3H2I2/c4-3(5)1-2-3/h1-2HInChIKey=IWZSXLXWBSAJIP-UHFFFAOYSA-N209.2Ex 209.23(BP est) 8.82(MP est) ----(BP exp) ----(MP exp) IC1(I)C=C1 8.8PredN
C(I)(I)(C#C)13280291.858C3H2I23,3-diiodoprop-1-yneN75C(I)(I)(C#C)InChI=1S/C3H2I2/c1-2-3(4)5/h1,3HInChIKey=CAPZZXYPMSHMAR-UHFFFAOYSA-N208.7Ex 208.73(BP est) 3.36(MP est) ----(BP exp) ----(MP exp) C(I)(I)(C#C) 3.4PredN
IC(N1)=C1I13281292.846C2HI2N2,3-diiodo-1H-azirineN65IC(N1)=C1IInChI=1S/C2HI2N/c3-1-2(4)5-1/h5HInChIKey=ZDEVMIFMQPRVNZ-UHFFFAOYSA-N250.9Ex 250.94(BP est) 58.00(MP est) ----(BP exp) ----(MP exp) IC(N1)=C1I 58PredN
IC(O1)=C1I13282293.83C2I2O2,3-diiodooxireneN55IC(O1)=C1IInChI=1S/C2I2O/c3-1-2(4)5-1InChIKey=ZPSUIGIOCIRBPQ-UHFFFAOYSA-N226.7Ex 226.70(BP est) 24.26(MP est) ----(BP exp) ----(MP exp) IC(O1)=C1I 24.3PredN
C(C1)(C1(I)I)13283293.874C3H4I21,1-diiodocyclopropaneN95C(C1)(C1(I)I)InChI=1S/C3H4I2/c4-3(5)1-2-3/h1-2H2InChIKey=FLVRSZNOVIPOOV-UHFFFAOYSA-N206.7Ex 206.66(BP est) 7.69(MP est) ----(BP exp) ----(MP exp) C(C1)(C1(I)I) 7.7PredN
C(C=C(I)I)13284293.874C3H4I21,1-diiodoprop-1-eneN95C(C=C(I)I)InChI=1S/C3H4I2/c1-2-3(4)5/h2H,1H3InChIKey=MZJAPSACGPULPL-UHFFFAOYSA-N214.3Ex 214.29(BP est) -20.52(MP est) ----(BP exp) ----(MP exp) C(C=C(I)I) -20.5PredN
C(C1I)(C1I)13285293.874C3H4I21,2-diiodocyclopropaneN95C(C1I)(C1I)InChI=1S/C3H4I2/c4-2-1-3(2)5/h2-3H,1H2InChIKey=RJRKSOILXSTINN-UHFFFAOYSA-N211.3Ex 211.30(BP est) -5.03(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1I) -5PredN
C(C(I)=CI)13286293.874C3H4I21,2-diiodoprop-1-eneN95C(C(I)=CI)InChI=1S/C3H4I2/c1-3(5)2-4/h2H,1H3InChIKey=NCKILPOJMTYFBM-UHFFFAOYSA-N214.3Ex 214.29(BP est) -20.52(MP est) ----(BP exp) ----(MP exp) C(C(I)=CI) -20.5PredN
C(I)(C=CI)13287293.874C3H4I21,3-diiodoprop-1-eneN95C(I)(C=CI)InChI=1S/C3H4I2/c4-2-1-3-5/h1-2H,3H2InChIKey=YAFXNPXSWMUSEJ-UHFFFAOYSA-N219.5Ex 219.51(BP est) -12.02(MP est) ----(BP exp) ----(MP exp) C(I)(C=CI) -12PredN
C(I)(C(I)=C)13288293.874C3H4I22,3-diiodoprop-1-eneN95C(I)(C(I)=C)InChI=1S/C3H4I2/c1-3(5)2-4/h1-2H2InChIKey=IAMDCNFGENAKIW-UHFFFAOYSA-N206.9Ex 206.86(BP est) -21.03(MP est) ----(BP exp) ----(MP exp) C(I)(C(I)=C) -21PredN
C(I)(I)(C=C)13289293.874C3H4I23,3-diiodoprop-1-eneN95C(I)(I)(C=C)InChI=1S/C3H4I2/c1-2-3(4)5/h2-3H,1H2InChIKey=UVAIWCXNJPMBMX-UHFFFAOYSA-N200.3Ex 200.34(BP est) -23.46(MP est) ----(BP exp) ----(MP exp) C(I)(I)(C=C) -23.5PredN
IC1(I)CN113290294.862C2H3I2N2,2-diiodoaziridineN85IC1(I)CN1InChI=1S/C2H3I2N/c3-2(4)1-5-2/h5H,1H2InChIKey=DDTCEABHNRXURD-UHFFFAOYSA-N237.1Ex 237.11(BP est) 50.57(MP est) ----(BP exp) ----(MP exp) IC1(I)CN1 50.6PredN
IC1C(I)N113291294.862C2H3I2N2,3-diiodoaziridineN85IC1C(I)N1InChI=1S/C2H3I2N/c3-1-2(4)5-1/h1-2,5HInChIKey=UCUZPNFWAASRKA-UHFFFAOYSA-N241.4Ex 241.40(BP est) 42.86(MP est) ----(BP exp) ----(MP exp) IC1C(I)N1 42.9PredN
IC1(I)CO113292295.846C2H2I2O2,2-diiodooxiraneN75IC1(I)CO1InChI=1S/C2H2I2O/c3-2(4)1-5-2/h1H2InChIKey=AIBHMOSBWCTVIZ-UHFFFAOYSA-N211.9Ex 211.93(BP est) 16.88(MP est) ----(BP exp) ----(MP exp) IC1(I)CO1 16.9PredN
IC1C(I)O113293295.846C2H2I2O2,3-diiodooxiraneN75IC1C(I)O1InChI=1S/C2H2I2O/c3-1-2(4)5-1/h1-2HInChIKey=SIULGWHSYBOYFG-UHFFFAOYSA-N216.5Ex 216.51(BP est) 4.14(MP est) ----(BP exp) ----(MP exp) IC1C(I)O1 4.1PredN
C(CC(I)I)13294295.89C3H6I21,1-diiodopropaneN115C(CC(I)I)InChI=1S/C3H6I2/c1-2-3(4)5/h3H,2H2,1H3InChIKey=GELJRMXFVDEVLN-UHFFFAOYSA-N180.7Ex 201.83(BP est) -22.14(MP est) ----(BP exp) ----(MP exp) C(CC(I)I) -22.1PredN
C(C(I)CI)13295295.89C3H6I21,2-diiodopropaneN115C(C(I)CI)InChI=1S/C3H6I2/c1-3(5)2-4/h3H,2H2,1H3InChIKey=ISXPOEJSKALLKA-UHFFFAOYSA-N227.0Ex 201.83(BP est) -22.14(MP est) ----(BP exp) ----(MP exp) C(C(I)CI) -22.1PredN
C(I)(CCI)13296295.89C3H6I21,3-diiodopropaneN115C(I)(CCI)InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2InChIKey=AAAXMNYUNVCMCJ-UHFFFAOYSA-N222.3Ex 213.62(BP est) -11.20(MP est) ----(BP exp) -20.00(MP exp) C(I)(CCI) -20ExptN
C(C(I)(I)C)13297295.89C3H6I22,2-diiodopropaneN115C(C(I)(I)C)InChI=1S/C3H6I2/c1-3(2,4)5/h1-2H3InChIKey=AZUCPFMKPGFGTB-UHFFFAOYSA-N173.0Ex 193.90(BP est) -15.75(MP est) 173.00(BP exp) ----(MP exp) C(C(I)(I)C) -15.8PredN
PC(Br)=C(Br)Br13301296.724C2H2Br3P(1,2,2-tribromovinyl)phosphaneN86PC(Br)=C(Br)BrInChI=1S/C2H2Br3P/c3-1(4)2(5)6/h6H2InChIKey=LEFVOWKLHKDIKD-UHFFFAOYSA-N243.6Ex 243.58(BP est) 22.74(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(Br)Br 22.7PredN
BrC1C(Br)(Br)P113302296.724C2H2Br3P2,2,3-tribromophosphiraneN86BrC1C(Br)(Br)P1InChI=1S/C2H2Br3P/c3-1-2(4,5)6-1/h1,6HInChIKey=IHQIBGBEEOESGT-UHFFFAOYSA-N218.5Ex 218.49(BP est) 34.16(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)(Br)P1 34.2PredN
NC(I)(I)(C)13303296.878C2H5I2N1,1-diiodoethan-1-amineN105NC(I)(I)(C)InChI=1S/C2H5I2N/c1-2(3,4)5/h5H2,1H3InChIKey=USVSPHYNHWXNIP-UHFFFAOYSA-N226.0Ex 226.00(BP est) 29.62(MP est) ----(BP exp) ----(MP exp) NC(I)(I)(C) 29.6PredN
CNC(I)(I)13304296.878C2H5I2N1,1-diiodo-N-methylmethanamineN105CNC(I)(I)InChI=1S/C2H5I2N/c1-5-2(3)4/h2,5H,1H3InChIKey=LXSQSRRBGHWKDJ-UHFFFAOYSA-N218.7Ex 218.73(BP est) 3.49(MP est) ----(BP exp) ----(MP exp) CNC(I)(I) 3.5PredN
NC(I)(CI)13305296.878C2H5I2N1,2-diiodoethan-1-amineN105NC(I)(CI)InChI=1S/C2H5I2N/c3-1-2(4)5/h2H,1,5H2InChIKey=HILPELQUDDJOBQ-UHFFFAOYSA-N233.3Ex 233.34(BP est) 23.05(MP est) ----(BP exp) ----(MP exp) NC(I)(CI) 23.1PredN
NC(C(I)I)13306296.878C2H5I2N2,2-diiodoethan-1-amineN105NC(C(I)I)InChI=1S/C2H5I2N/c3-2(4)1-5/h2H,1,5H2InChIKey=XOWZQNURZGTIEN-UHFFFAOYSA-N233.3Ex 233.34(BP est) 23.05(MP est) ----(BP exp) ----(MP exp) NC(C(I)I) 23.1PredN
C(I)NC(I)13307296.878C2H5I2Nbis(iodomethyl)amineN105C(I)NC(I)InChI=1S/C2H5I2N/c3-1-5-2-4/h5H,1-2H2InChIKey=OSHBWHLKDXARAW-UHFFFAOYSA-N230.0Ex 230.04(BP est) 14.29(MP est) ----(BP exp) ----(MP exp) C(I)NC(I) 14.3PredN
C(I)=C(F)(I)13309297.837C2HFI21-fluoro-1,2-diiodoetheneN65C(I)=C(F)(I)InChI=1S/C2HFI2/c3-2(5)1-4/h1HInChIKey=UFLXMEMIBAQTSD-UHFFFAOYSA-N196.6Ex 196.56(BP est) -31.04(MP est) ----(BP exp) ----(MP exp) C(I)=C(F)(I) -31PredN
C(F)=C(I)(I)13310297.837C2HFI22-fluoro-1,1-diiodoetheneN65C(F)=C(I)(I)InChI=1S/C2HFI2/c3-1-2(4)5/h1HInChIKey=IHPVERANFMQENB-UHFFFAOYSA-N196.6Ex 196.56(BP est) -31.04(MP est) ----(BP exp) ----(MP exp) C(F)=C(I)(I) -31PredN
COC(I)(I)13311297.862C2H4I2Odiiodo(methoxy)methaneN95COC(I)(I)InChI=1S/C2H4I2O/c1-5-2(3)4/h2H,1H3InChIKey=WPFDMQLUSXCSJE-UHFFFAOYSA-N202.6Ex 202.60(BP est) -16.44(MP est) ----(BP exp) ----(MP exp) COC(I)(I) -16.4PredN
C(I)OC(I)13312297.862C2H4I2Oiodo(iodomethoxy)methaneN95C(I)OC(I)InChI=1S/C2H4I2O/c3-1-5-2-4/h1-2H2InChIKey=NWMAFUPEQLTLPX-UHFFFAOYSA-N214.4Ex 214.37(BP est) -5.50(MP est) ----(BP exp) ----(MP exp) C(I)OC(I) -5.5PredN
O=PC(Br)(Br)Br13313298.696CBr3OPoxo(tribromomethyl)phosphaneN66O=PC(Br)(Br)BrInChI=1S/CBr3OP/c2-1(3,4)6-5InChIKey=ONIWXLSITSCSEC-UHFFFAOYSA-N247.6Ex 247.57(BP est) 45.60(MP est) ----(BP exp) ----(MP exp) O=PC(Br)(Br)Br 45.6PredN
PC(CBr)(Br)Br13314298.74C2H4Br3P(1,1,2-tribromoethyl)phosphaneN106PC(CBr)(Br)BrInChI=1S/C2H4Br3P/c3-1-2(4,5)6/h1,6H2InChIKey=ULIXGLGMVRUHAA-UHFFFAOYSA-N229.7Ex 229.74(BP est) 36.41(MP est) ----(BP exp) ----(MP exp) PC(CBr)(Br)Br 36.4PredN
PC(Br)C(Br)Br13315298.74C2H4Br3P(1,2,2-tribromoethyl)phosphaneN106PC(Br)C(Br)BrInChI=1S/C2H4Br3P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=HLVGPMQIWIKKKJ-UHFFFAOYSA-N225.9Ex 225.90(BP est) 19.08(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Br)Br 19.1PredN
PCC(Br)(Br)Br13316298.74C2H4Br3P(2,2,2-tribromoethyl)phosphaneN106PCC(Br)(Br)BrInChI=1S/C2H4Br3P/c3-2(4,5)1-6/h1,6H2InChIKey=LUHIVJSFPNJZHY-UHFFFAOYSA-N229.7Ex 229.74(BP est) 36.41(MP est) ----(BP exp) ----(MP exp) PCC(Br)(Br)Br 36.4PredN
BrCPC(Br)Br13317298.74C2H4Br3P(bromomethyl)(dibromomethyl)phosphaneN106BrCPC(Br)BrInChI=1S/C2H4Br3P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=ARPPCPDUFKHWLV-UHFFFAOYSA-N221.1Ex 221.08(BP est) 16.98(MP est) ----(BP exp) ----(MP exp) BrCPC(Br)Br 17PredN
CPC(Br)(Br)Br13318298.74C2H4Br3Pmethyl(tribromomethyl)phosphaneN106CPC(Br)(Br)BrInChI=1S/C2H4Br3P/c1-6-2(3,4)5/h6H,1H3InChIKey=BLMVXTSLANPNPQ-UHFFFAOYSA-N213.5Ex 213.51(BP est) 23.48(MP est) ----(BP exp) ----(MP exp) CPC(Br)(Br)Br 23.5PredN
PC(Br)=C(Cl)I13319299.27C2H2BrClIP(1-bromo-2-chloro-2-iodovinyl)phosphaneN86PC(Br)=C(Cl)IInChI=1S/C2H2BrClIP/c3-1(6)2(4)5/h6H2InChIKey=MCNWOXIFYIFMRR-UHFFFAOYSA-N238.5Ex 238.53(BP est) 5.45(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(Cl)I 5.5PredN
PC(Cl)=C(Br)I13320299.27C2H2BrClIP(2-bromo-1-chloro-2-iodovinyl)phosphaneN86PC(Cl)=C(Br)IInChI=1S/C2H2BrClIP/c3-1(5)2(4)6/h6H2InChIKey=CURGDGDEIVQGCR-UHFFFAOYSA-N238.5Ex 238.53(BP est) 5.45(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(Br)I 5.5PredN
PC(I)=C(Br)Cl13321299.27C2H2BrClIP(2-bromo-2-chloro-1-iodovinyl)phosphaneN86PC(I)=C(Br)ClInChI=1S/C2H2BrClIP/c3-1(4)2(5)6/h6H2InChIKey=ZTFFAAVAMYAQAG-UHFFFAOYSA-N238.5Ex 238.53(BP est) 5.45(MP est) ----(BP exp) ----(MP exp) PC(I)=C(Br)Cl 5.5PredN
IC1C(Cl)(Br)P113322299.27C2H2BrClIP2-bromo-2-chloro-3-iodophosphiraneN86IC1C(Cl)(Br)P1InChI=1S/C2H2BrClIP/c3-2(4)1(5)6-2/h1,6HInChIKey=OSHGGPJPEMHMMA-UHFFFAOYSA-N214.8Ex 214.81(BP est) 27.40(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(Br)P1 27.4PredN
ClC1C(I)(Br)P113323299.27C2H2BrClIP2-bromo-3-chloro-2-iodophosphiraneN86ClC1C(I)(Br)P1InChI=1S/C2H2BrClIP/c3-2(5)1(4)6-2/h1,6HInChIKey=XYJSCENDXZDQBY-UHFFFAOYSA-N225.1Ex 225.14(BP est) 30.42(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(Br)P1 30.4PredN
BrC1C(I)(Cl)P113324299.27C2H2BrClIP3-bromo-2-chloro-2-iodophosphiraneN86BrC1C(I)(Cl)P1InChI=1S/C2H2BrClIP/c3-1-2(4,5)6-1/h1,6HInChIKey=UZNPKCWCXDZVOL-UHFFFAOYSA-N214.8Ex 214.81(BP est) 27.40(MP est) ----(BP exp) ----(MP exp) BrC1C(I)(Cl)P1 27.4PredN
C(Br)(Br)(I)13325299.731CHBr2IdibromoiodomethaneN54C(Br)(Br)(I)InChI=1S/CHBr2I/c2-1(3)4/h1HInChIKey=SZVSEQHMMFKGEI-UHFFFAOYSA-N402.6Ex 197.46(BP est) -3.92(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(I) -3.9PredY(Gribble 2003)
PC(I)I13326299.818CH3I2P(diiodomethyl)phosphaneN74PC(I)IInChI=1S/CH3I2P/c2-1(3)4/h1H,4H2InChIKey=XHRWBAREYYXXDP-UHFFFAOYSA-N212.3Ex 212.27(BP est) -14.68(MP est) ----(BP exp) ----(MP exp) PC(I)I -14.7PredN
C(C(F)(I)I)13327299.853C2H3FI21-fluoro-1,1-diiodoethaneN85C(C(F)(I)I)InChI=1S/C2H3FI2/c1-2(3,4)5/h1H3InChIKey=HJUCZTUYIAOEMZ-UHFFFAOYSA-N175.3Ex 175.32(BP est) -26.51(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)I) -26.5PredN
C(I)(C(F)I)13328299.853C2H3FI21-fluoro-1,2-diiodoethaneN85C(I)(C(F)I)InChI=1S/C2H3FI2/c3-2(5)1-4/h2H,1H2InChIKey=KYFJBNRVPWLCSY-UHFFFAOYSA-N183.6Ex 183.57(BP est) -32.81(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)I) -32.8PredN
C(F)(C(I)I)13329299.853C2H3FI22-fluoro-1,1-diiodoethaneN85C(F)(C(I)I)InChI=1S/C2H3FI2/c3-1-2(4)5/h2H,1H2InChIKey=ZHONTTNBQCAWLC-UHFFFAOYSA-N183.6Ex 183.57(BP est) -32.81(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)I) -32.8PredN
NC(F)(I)(I)13330300.841CH2FI2NfluorodiiodomethanamineN75NC(F)(I)(I)InChI=1S/CH2FI2N/c2-1(3,4)5/h5H2InChIKey=KRSUEMIEBYPSMF-UHFFFAOYSA-N208.8Ex 208.77(BP est) 19.25(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(I) 19.3PredN
O=PC(I)(Br)Cl13331301.242CBrClIOP(bromochloroiodomethyl)(oxo)phosphaneN66O=PC(I)(Br)ClInChI=1S/CBrClIOP/c2-1(3,4)6-5InChIKey=DURCZGLVNQEUJD-UHFFFAOYSA-N244.2Ex 244.17(BP est) 36.67(MP est) ----(BP exp) ----(MP exp) O=PC(I)(Br)Cl 36.7PredN
PC(CI)(Br)Cl13332301.286C2H4BrClIP(1-bromo-1-chloro-2-iodoethyl)phosphaneN106PC(CI)(Br)ClInChI=1S/C2H4BrClIP/c3-2(4,6)1-5/h1,6H2InChIKey=RBONBEJUTMAQKQ-UHFFFAOYSA-N226.2Ex 226.17(BP est) 19.55(MP est) ----(BP exp) ----(MP exp) PC(CI)(Br)Cl 19.6PredN
PC(CCl)(Br)I13333301.286C2H4BrClIP(1-bromo-2-chloro-1-iodoethyl)phosphaneN106PC(CCl)(Br)IInChI=1S/C2H4BrClIP/c3-2(5,6)1-4/h1,6H2InChIKey=ILGNRFFIOBXBJT-UHFFFAOYSA-N246.0Ex 246.00(BP est) 25.34(MP est) ----(BP exp) ----(MP exp) PC(CCl)(Br)I 25.3PredN
PC(Br)C(Cl)I13334301.286C2H4BrClIP(1-bromo-2-chloro-2-iodoethyl)phosphaneN106PC(Br)C(Cl)IInChI=1S/C2H4BrClIP/c3-1(6)2(4)5/h1-2H,6H2InChIKey=IJKKKKRSPGFRDV-UHFFFAOYSA-N232.4Ex 232.43(BP est) 5.17(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Cl)I 5.2PredN
PC(CBr)(Cl)I13335301.286C2H4BrClIP(2-bromo-1-chloro-1-iodoethyl)phosphaneN106PC(CBr)(Cl)IInChI=1S/C2H4BrClIP/c3-1-2(4,5)6/h1,6H2InChIKey=XYLUAKAXAYZPDM-UHFFFAOYSA-N226.2Ex 226.17(BP est) 19.55(MP est) ----(BP exp) ----(MP exp) PC(CBr)(Cl)I 19.6PredN
PC(Cl)C(Br)I13336301.286C2H4BrClIP(2-bromo-1-chloro-2-iodoethyl)phosphaneN106PC(Cl)C(Br)IInChI=1S/C2H4BrClIP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=DMNTWQRUSUYMHR-UHFFFAOYSA-N232.4Ex 232.43(BP est) 5.17(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(Br)I 5.2PredN
PC(I)C(Br)Cl13337301.286C2H4BrClIP(2-bromo-2-chloro-1-iodoethyl)phosphaneN106PC(I)C(Br)ClInChI=1S/C2H4BrClIP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=OCUPHJRBYOWYOE-UHFFFAOYSA-N232.4Ex 232.43(BP est) 5.17(MP est) ----(BP exp) ----(MP exp) PC(I)C(Br)Cl 5.2PredN
PCC(I)(Br)Cl13338301.286C2H4BrClIP(2-bromo-2-chloro-2-iodoethyl)phosphaneN106PCC(I)(Br)ClInChI=1S/C2H4BrClIP/c3-2(4,5)1-6/h1,6H2InChIKey=IRWRMTZAXVVWLI-UHFFFAOYSA-N226.2Ex 226.17(BP est) 19.55(MP est) ----(BP exp) ----(MP exp) PCC(I)(Br)Cl 19.6PredN
CPC(I)(Br)Cl13339301.286C2H4BrClIP(bromochloroiodomethyl)(methyl)phosphaneN106CPC(I)(Br)ClInChI=1S/C2H4BrClIP/c1-6-2(3,4)5/h6H,1H3InChIKey=MCTULRUFOHQPPD-UHFFFAOYSA-N209.8Ex 209.78(BP est) 6.58(MP est) ----(BP exp) ----(MP exp) CPC(I)(Br)Cl 6.6PredN
ICPC(Br)Cl13340301.286C2H4BrClIP(bromochloromethyl)(iodomethyl)phosphaneN106ICPC(Br)ClInChI=1S/C2H4BrClIP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=PGYAEEXVPCVRLR-UHFFFAOYSA-N227.7Ex 227.68(BP est) 3.10(MP est) ----(BP exp) ----(MP exp) ICPC(Br)Cl 3.1PredN
ClCPC(Br)I13341301.286C2H4BrClIP(bromoiodomethyl)(chloromethyl)phosphaneN106ClCPC(Br)IInChI=1S/C2H4BrClIP/c3-2(5)6-1-4/h2,6H,1H2InChIKey=RBJICRPYENMHIA-UHFFFAOYSA-N237.7Ex 237.71(BP est) 6.03(MP est) ----(BP exp) ----(MP exp) ClCPC(Br)I 6PredN
BrCPC(Cl)I13342301.286C2H4BrClIP(bromomethyl)(chloroiodomethyl)phosphaneN106BrCPC(Cl)IInChI=1S/C2H4BrClIP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=VSXUJXFSPZXDNR-UHFFFAOYSA-N227.7Ex 227.68(BP est) 3.10(MP est) ----(BP exp) ----(MP exp) BrCPC(Cl)I 3.1PredN
C(Cl)(I)(I)13343302.278CHClI2chlorodiiodomethaneN54C(Cl)(I)(I)InChI=1S/CHClI2/c2-1(3)4/h1HInChIKey=RYPFDEIVUZVDCE-UHFFFAOYSA-N200.0Ex 204.45(BP est) -17.69(MP est) ----(BP exp) -4.00(MP exp) C(Cl)(I)(I) -4ExptY(Carpenter et al. 2000)
C(F)(F)(I)(I)13344303.817CF2I2difluorodiiodomethaneN55C(F)(F)(I)(I)InChI=1S/CF2I2/c2-1(3,4)5InChIKey=SOEBNUZZZSSRNB-UHFFFAOYSA-N156.0Ex 156.01(BP est) -37.49(MP est) ----(BP exp) ----(MP exp) C(F)(F)(I)(I) -37.5PredN
IC(C1I)=C1F13347309.848C3HFI21-fluoro-2,3-diiodocycloprop-1-eneN76IC(C1I)=C1FInChI=1S/C3HFI2/c4-1-2(5)3(1)6/h2HInChIKey=NTWUFSAMHLWNLF-UHFFFAOYSA-N218.0Ex 217.98(BP est) 12.24(MP est) ----(BP exp) ----(MP exp) IC(C1I)=C1F 12.2PredN
FC1=CC1(I)I13348309.848C3HFI21-fluoro-3,3-diiodocycloprop-1-eneN76FC1=CC1(I)IInChI=1S/C3HFI2/c4-2-1-3(2,5)6/h1HInChIKey=HBLHNQWUHUFAFM-UHFFFAOYSA-N209.5Ex 209.46(BP est) 15.44(MP est) ----(BP exp) ----(MP exp) FC1=CC1(I)I 15.4PredN
C(I)(I)(C#CF)13349309.848C3HFI21-fluoro-3,3-diiodoprop-1-yneN76C(I)(I)(C#CF)InChI=1S/C3HFI2/c4-2-1-3(5)6/h3HInChIKey=OPRYQKHOYJAHTE-UHFFFAOYSA-N217.8Ex 217.82(BP est) 28.42(MP est) ----(BP exp) ----(MP exp) C(I)(I)(C#CF) 28.4PredN
IC(C1F)=C1I13350309.848C3HFI23-fluoro-1,2-diiodocycloprop-1-eneN76IC(C1F)=C1IInChI=1S/C3HFI2/c4-1-2(5)3(1)6/h1HInChIKey=SPQLUVDITBBHRZ-UHFFFAOYSA-N218.0Ex 217.98(BP est) 12.24(MP est) ----(BP exp) ----(MP exp) IC(C1F)=C1I 12.2PredN
IC1=CC1(I)F13351309.848C3HFI23-fluoro-1,3-diiodocycloprop-1-eneN76IC1=CC1(I)FInChI=1S/C3HFI2/c4-3(6)1-2(3)5/h1HInChIKey=MLCGEUSNZODUNM-UHFFFAOYSA-N209.5Ex 209.46(BP est) 15.44(MP est) ----(BP exp) ----(MP exp) IC1=CC1(I)F 15.4PredN
C(F)(I)(C#CI)13352309.848C3HFI23-fluoro-1,3-diiodoprop-1-yneN76C(F)(I)(C#CI)InChI=1S/C3HFI2/c4-3(6)1-2-5/h3HInChIKey=NACKEHZMWGVKDG-UHFFFAOYSA-N217.8Ex 217.82(BP est) 28.42(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C#CI) 28.4PredN
C(F)(I)(I)(C#C)13353309.848C3HFI23-fluoro-3,3-diiodoprop-1-yneN76C(F)(I)(I)(C#C)InChI=1S/C3HFI2/c1-2-3(4,5)6/h1HInChIKey=JYFGYNFCNWWCIJ-UHFFFAOYSA-N202.9Ex 202.87(BP est) 10.65(MP est) ----(BP exp) ----(MP exp) C(F)(I)(I)(C#C) 10.7PredN
NC(C(I)I)=O13354310.861C2H3I2NO2,2-diiodoacetamideN96NC(C(I)I)=OInChI=1S/C2H3I2NO/c3-1(4)2(5)6/h1H,(H2,5,6)InChIKey=YFDNDAZSTPQDTM-UHFFFAOYSA-N326.5Ex 326.48(BP est) 101.57(MP est) ----(BP exp) ----(MP exp) NC(C(I)I)=O 101.6PredY(Gribble 2003)
C(I)=C(Br)(Br)13355311.742C2HBr2I1,1-dibromo-2-iodoetheneN65C(I)=C(Br)(Br)InChI=1S/C2HBr2I/c3-2(4)1-5/h1HInChIKey=XQBJKLVQMOQFEB-UHFFFAOYSA-N229.1Ex 229.05(BP est) 8.92(MP est) ----(BP exp) ----(MP exp) C(I)=C(Br)(Br) 8.9PredN
C(Br)=C(Br)(I)13356311.742C2HBr2I1,2-dibromo-1-iodoetheneN65C(Br)=C(Br)(I)InChI=1S/C2HBr2I/c3-1-2(4)5/h1HInChIKey=LKNUFXGEOPARSR-UHFFFAOYSA-N229.1Ex 229.05(BP est) 8.92(MP est) ----(BP exp) ----(MP exp) C(Br)=C(Br)(I) 8.9PredN
PC(I)=CI13357311.829C2H3I2P(1,2-diiodovinyl)phosphaneN85PC(I)=CIInChI=1S/C2H3I2P/c3-1-2(4)5/h1H,5H2InChIKey=OSYBFTAGDRWEDC-UHFFFAOYSA-N242.7Ex 242.74(BP est) -2.17(MP est) ----(BP exp) ----(MP exp) PC(I)=CI -2.2PredN
PC=C(I)I13358311.829C2H3I2P(2,2-diiodovinyl)phosphaneN85PC=C(I)IInChI=1S/C2H3I2P/c3-2(4)1-5/h1H,5H2InChIKey=SVVNDEMYKOSEAV-UHFFFAOYSA-N242.7Ex 242.74(BP est) -2.17(MP est) ----(BP exp) ----(MP exp) PC=C(I)I -2.2PredN
IC1(I)CP113359311.829C2H3I2P2,2-diiodophosphiraneN85IC1(I)CP1InChI=1S/C2H3I2P/c3-2(4)1-5-2/h5H,1H2InChIKey=VIASXNXSVVCGGK-UHFFFAOYSA-N217.9Ex 217.93(BP est) 14.60(MP est) ----(BP exp) ----(MP exp) IC1(I)CP1 14.6PredN
IC1C(I)P113360311.829C2H3I2P2,3-diiodophosphiraneN85IC1C(I)P1InChI=1S/C2H3I2P/c3-1-2(4)5-1/h1-2,5HInChIKey=LYIPDZMVKNYLBU-UHFFFAOYSA-N222.4Ex 222.44(BP est) 1.85(MP est) ----(BP exp) ----(MP exp) IC1C(I)P1 1.9PredN
IC(I)C(O)=O13361311.845C2H2I2O22,2-diiodoacetic acidN86IC(I)C(O)=OInChI=1S/C2H2I2O2/c3-1(4)2(5)6/h1H,(H,5,6)InChIKey=BQAMFNQVNXPFFH-UHFFFAOYSA-N291.3Ex 291.26(BP est) 71.22(MP est) ----(BP exp) 110.00(MP exp) IC(I)C(O)=O 110ExptY(Kladi et al. 2004)
C(C1I)(C1(F)I)13362311.864C3H3FI21-fluoro-1,2-diiodocyclopropaneN96C(C1I)(C1(F)I)InChI=1S/C3H3FI2/c4-3(6)1-2(3)5/h2H,1H2InChIKey=IFBDXLFIYNQXCI-UHFFFAOYSA-N202.9Ex 202.88(BP est) 4.76(MP est) ----(BP exp) ----(MP exp) C(C1I)(C1(F)I) 4.8PredN
C(C(I)=C(F)I)13363311.864C3H3FI21-fluoro-1,2-diiodoprop-1-eneN96C(C(I)=C(F)I)InChI=1S/C3H3FI2/c1-2(5)3(4)6/h1H3InChIKey=IUSUNURQINKBJL-UHFFFAOYSA-N210.9Ex 210.91(BP est) -28.20(MP est) ----(BP exp) ----(MP exp) C(C(I)=C(F)I) -28.2PredN
C(I)(C=C(F)I)13364311.864C3H3FI21-fluoro-1,3-diiodoprop-1-eneN96C(I)(C=C(F)I)InChI=1S/C3H3FI2/c4-3(6)1-2-5/h1H,2H2InChIKey=RXQMHCBIQTZSSZ-UHFFFAOYSA-N216.2Ex 216.17(BP est) -19.68(MP est) ----(BP exp) ----(MP exp) C(I)(C=C(F)I) -19.7PredN
C(I)(C1I)(C1F)13365311.864C3H3FI21-fluoro-2,3-diiodocyclopropaneN96C(I)(C1I)(C1F)InChI=1S/C3H3FI2/c4-1-2(5)3(1)6/h1-3HInChIKey=SUMXAGXLYOLFRV-UHFFFAOYSA-N207.6Ex 207.56(BP est) -7.94(MP est) ----(BP exp) ----(MP exp) C(I)(C1I)(C1F) -7.9PredN
C(I)(C(I)=CF)13366311.864C3H3FI21-fluoro-2,3-diiodoprop-1-eneN96C(I)(C(I)=CF)InChI=1S/C3H3FI2/c4-1-3(6)2-5/h1H,2H2InChIKey=IIESOUHLZLLQST-UHFFFAOYSA-N216.2Ex 216.17(BP est) -19.68(MP est) ----(BP exp) ----(MP exp) C(I)(C(I)=CF) -19.7PredN
C(I)(I)(C=CF)13367311.864C3H3FI21-fluoro-3,3-diiodoprop-1-eneN96C(I)(I)(C=CF)InChI=1S/C3H3FI2/c4-2-1-3(5)6/h1-3HInChIKey=RCSOAAKOWYVAHJ-UHFFFAOYSA-N209.8Ex 209.80(BP est) -22.06(MP est) ----(BP exp) ----(MP exp) C(I)(I)(C=CF) -22.1PredN
C(C1F)(C1(I)I)13368311.864C3H3FI22-fluoro-1,1-diiodocyclopropaneN96C(C1F)(C1(I)I)InChI=1S/C3H3FI2/c4-2-1-3(2,5)6/h2H,1H2InChIKey=IOQAJSSPPOEGTJ-UHFFFAOYSA-N202.9Ex 202.88(BP est) 4.76(MP est) ----(BP exp) ----(MP exp) C(C1F)(C1(I)I) 4.8PredN
C(C(F)=C(I)I)13369311.864C3H3FI22-fluoro-1,1-diiodoprop-1-eneN96C(C(F)=C(I)I)InChI=1S/C3H3FI2/c1-2(4)3(5)6/h1H3InChIKey=AKUGENPKIUZJHD-UHFFFAOYSA-N210.9Ex 210.91(BP est) -28.20(MP est) ----(BP exp) ----(MP exp) C(C(F)=C(I)I) -28.2PredN
C(I)(C(F)=CI)13370311.864C3H3FI22-fluoro-1,3-diiodoprop-1-eneN96C(I)(C(F)=CI)InChI=1S/C3H3FI2/c4-3(1-5)2-6/h1H,2H2InChIKey=QCZWQEXTKLNVQP-UHFFFAOYSA-N216.2Ex 216.17(BP est) -19.68(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)=CI) -19.7PredN
C(I)(I)(C(F)=C)13371311.864C3H3FI22-fluoro-3,3-diiodoprop-1-eneN96C(I)(I)(C(F)=C)InChI=1S/C3H3FI2/c1-2(4)3(5)6/h3H,1H2InChIKey=VSRKWKAJPLCBKO-UHFFFAOYSA-N196.9Ex 196.85(BP est) -31.16(MP est) ----(BP exp) ----(MP exp) C(I)(I)(C(F)=C) -31.2PredN
C(F)(C=C(I)I)13372311.864C3H3FI23-fluoro-1,1-diiodoprop-1-eneN96C(F)(C=C(I)I)InChI=1S/C3H3FI2/c4-2-1-3(5)6/h1H,2H2InChIKey=BBXXAEABJBQMDL-UHFFFAOYSA-N216.2Ex 216.17(BP est) -19.68(MP est) ----(BP exp) ----(MP exp) C(F)(C=C(I)I) -19.7PredN
C(F)(C(I)=CI)13373311.864C3H3FI23-fluoro-1,2-diiodoprop-1-eneN96C(F)(C(I)=CI)InChI=1S/C3H3FI2/c4-1-3(6)2-5/h2H,1H2InChIKey=DWNFZTZHLMOBGY-UHFFFAOYSA-N216.2Ex 216.17(BP est) -19.68(MP est) ----(BP exp) ----(MP exp) C(F)(C(I)=CI) -19.7PredN
C(F)(I)(C=CI)13374311.864C3H3FI23-fluoro-1,3-diiodoprop-1-eneN96C(F)(I)(C=CI)InChI=1S/C3H3FI2/c4-3(6)1-2-5/h1-3HInChIKey=QJBJLCKPMROIHZ-UHFFFAOYSA-N209.8Ex 209.80(BP est) -22.06(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C=CI) -22.1PredN
C(F)(I)(C(I)=C)13375311.864C3H3FI23-fluoro-2,3-diiodoprop-1-eneN96C(F)(I)(C(I)=C)InChI=1S/C3H3FI2/c1-2(5)3(4)6/h3H,1H2InChIKey=BZFJCWORZZHAEY-UHFFFAOYSA-N196.9Ex 196.85(BP est) -31.16(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C(I)=C) -31.2PredN
C(F)(I)(I)(C=C)13376311.864C3H3FI23-fluoro-3,3-diiodoprop-1-eneN96C(F)(I)(I)(C=C)InChI=1S/C3H3FI2/c1-2-3(4,5)6/h2H,1H2InChIKey=YYYGZHSVFONXMZ-UHFFFAOYSA-N194.4Ex 194.37(BP est) -16.20(MP est) ----(BP exp) ----(MP exp) C(F)(I)(I)(C=C) -16.2PredN
OC(CI)CI13377311.889C3H6I2O1,3-diiodopropan-2-olN126OC(CI)CIInChI=1S/C3H6I2O/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=DNKPFCQEGBJJTE-UHFFFAOYSA-N264.4Ex 264.38(BP est) 26.53(MP est) ----(BP exp) ----(MP exp) OC(CI)CI 26.5PredY(Kladi et al. 2004)
IC1C(F)(I)N113379312.852C2H2FI2N2-fluoro-2,3-diiodoaziridineN86IC1C(F)(I)N1InChI=1S/C2H2FI2N/c3-2(5)1(4)6-2/h1,6HInChIKey=KFJIBYZNDJNMKM-UHFFFAOYSA-N233.6Ex 233.61(BP est) 47.99(MP est) ----(BP exp) ----(MP exp) IC1C(F)(I)N1 48PredN
FC1C(I)(I)N113380312.852C2H2FI2N3-fluoro-2,2-diiodoaziridineN86FC1C(I)(I)N1InChI=1S/C2H2FI2N/c3-1-2(4,5)6-1/h1,6HInChIKey=NDLUVEBBNVRCTO-UHFFFAOYSA-N233.6Ex 233.61(BP est) 47.99(MP est) ----(BP exp) ----(MP exp) FC1C(I)(I)N1 48PredN
C(C(Br)(Br)I)13381313.758C2H3Br2I1,1-dibromo-1-iodoethaneN85C(C(Br)(Br)I)InChI=1S/C2H3Br2I/c1-2(3,4)5/h1H3InChIKey=VMTPBCZGGIQDOO-UHFFFAOYSA-N209.4Ex 209.38(BP est) 13.91(MP est) ----(BP exp) ----(MP exp) C(C(Br)(Br)I) 13.9PredN
C(I)(C(Br)Br)13382313.758C2H3Br2I1,1-dibromo-2-iodoethaneN85C(I)(C(Br)Br)InChI=1S/C2H3Br2I/c3-2(4)1-5/h2H,1H2InChIKey=JOSDCBFYJGSIAE-UHFFFAOYSA-N217.0Ex 217.03(BP est) 7.43(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)Br) 7.4PredN
C(Br)(C(Br)I)13383313.758C2H3Br2I1,2-dibromo-1-iodoethaneN85C(Br)(C(Br)I)InChI=1S/C2H3Br2I/c3-1-2(4)5/h2H,1H2InChIKey=XELHIPKOMUNGNK-UHFFFAOYSA-N217.0Ex 217.03(BP est) 7.43(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)I) 7.4PredN
O=PC(I)I13384313.801CHI2OP(diiodomethyl)(oxo)phosphaneN65O=PC(I)IInChI=1S/CHI2OP/c2-1(3)5-4/h1HInChIKey=TUJMAHPXHGVGSS-UHFFFAOYSA-N248.9Ex 248.92(BP est) 13.52(MP est) ----(BP exp) ----(MP exp) O=PC(I)I 13.5PredN
C(=O)C(F)(I)(I)13385313.836C2HFI2O2-fluoro-2,2-diiodoacetaldehydeN76C(=O)C(F)(I)(I)InChI=1S/C2HFI2O/c3-2(4,5)1-6/h1HInChIKey=GFZTXSADUISNBT-UHFFFAOYSA-N225.7Ex 225.66(BP est) 9.18(MP est) ----(BP exp) ----(MP exp) C(=O)C(F)(I)(I) 9.2PredN
IC1C(F)(I)O113386313.836C2HFI2O2-fluoro-2,3-diiodooxiraneN76IC1C(F)(I)O1InChI=1S/C2HFI2O/c3-2(5)1(4)6-2/h1HInChIKey=PIHOCWUFAUCXIK-UHFFFAOYSA-N208.2Ex 208.19(BP est) 13.96(MP est) ----(BP exp) ----(MP exp) IC1C(F)(I)O1 14PredN
FC1C(I)(I)O113387313.836C2HFI2O3-fluoro-2,2-diiodooxiraneN76FC1C(I)(I)O1InChI=1S/C2HFI2O/c3-1-2(4,5)6-1/h1HInChIKey=DKOLJTSDFWYGTC-UHFFFAOYSA-N208.2Ex 208.19(BP est) 13.96(MP est) ----(BP exp) ----(MP exp) FC1C(I)(I)O1 14PredN
PC(C)(I)I13388313.845C2H5I2P(1,1-diiodoethyl)phosphaneN105PC(C)(I)IInChI=1S/C2H5I2P/c1-2(3,4)5/h5H2,1H3InChIKey=DUUJLATYMPBRNP-UHFFFAOYSA-N223.8Ex 223.78(BP est) 3.03(MP est) ----(BP exp) ----(MP exp) PC(C)(I)I 3PredN
PC(I)CI13389313.845C2H5I2P(1,2-diiodoethyl)phosphaneN105PC(I)CIInChI=1S/C2H5I2P/c3-1-2(4)5/h2H,1,5H2InChIKey=KAXIDGDDGYXUQE-UHFFFAOYSA-N231.2Ex 231.16(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) PC(I)CI -3.5PredN
PCC(I)I13390313.845C2H5I2P(2,2-diiodoethyl)phosphaneN105PCC(I)IInChI=1S/C2H5I2P/c3-2(4)1-5/h2H,1,5H2InChIKey=CKGLNGPFSKCBJL-UHFFFAOYSA-N231.2Ex 231.16(BP est) -3.53(MP est) ----(BP exp) ----(MP exp) PCC(I)I -3.5PredN
CPC(I)I13391313.845C2H5I2P(diiodomethyl)(methyl)phosphaneN105CPC(I)IInChI=1S/C2H5I2P/c1-5-2(3)4/h2,5H,1H3InChIKey=RPRJTNTZMAZFSW-UHFFFAOYSA-N215.0Ex 214.98(BP est) -16.44(MP est) ----(BP exp) ----(MP exp) CPC(I)I -16.4PredN
ICPCI13392313.845C2H5I2Pbis(iodomethyl)phosphaneN105ICPCIInChI=1S/C2H5I2P/c3-1-5-2-4/h5H,1-2H2InChIKey=OVERNSBGFLBGPM-UHFFFAOYSA-N226.4Ex 226.41(BP est) -5.60(MP est) ----(BP exp) ----(MP exp) ICPCI -5.6PredN
C(CC(F)(I)I)13393313.88C3H5FI21-fluoro-1,1-diiodopropaneN116C(CC(F)(I)I)InChI=1S/C3H5FI2/c1-2-3(4,5)6/h2H2,1H3InChIKey=CTDZIYSKDZIGHG-UHFFFAOYSA-N195.9Ex 195.87(BP est) -14.88(MP est) ----(BP exp) ----(MP exp) C(CC(F)(I)I) -14.9PredN
C(C(I)C(F)I)13394313.88C3H5FI21-fluoro-1,2-diiodopropaneN116C(C(I)C(F)I)InChI=1S/C3H5FI2/c1-2(5)3(4)6/h2-3H,1H3InChIKey=WIFRKTIGLARYGI-UHFFFAOYSA-N191.7Ex 191.70(BP est) -32.30(MP est) ----(BP exp) ----(MP exp) C(C(I)C(F)I) -32.3PredN
C(I)(CC(F)I)13395313.88C3H5FI21-fluoro-1,3-diiodopropaneN116C(I)(CC(F)I)InChI=1S/C3H5FI2/c4-3(6)1-2-5/h3H,1-2H2InChIKey=NQUGSNRJVTXJQA-UHFFFAOYSA-N203.8Ex 203.76(BP est) -21.28(MP est) ----(BP exp) ----(MP exp) C(I)(CC(F)I) -21.3PredN
C(C(I)(I)CF)13396313.88C3H5FI21-fluoro-2,2-diiodopropaneN116C(C(I)(I)CF)InChI=1S/C3H5FI2/c1-3(5,6)2-4/h2H2,1H3InChIKey=ASFGDKUEVFWXEP-UHFFFAOYSA-N195.9Ex 195.87(BP est) -14.88(MP est) ----(BP exp) ----(MP exp) C(C(I)(I)CF) -14.9PredN
C(I)(C(I)CF)13397313.88C3H5FI21-fluoro-2,3-diiodopropaneN116C(I)(C(I)CF)InChI=1S/C3H5FI2/c4-1-3(6)2-5/h3H,1-2H2InChIKey=ROUMFXCJJGMBMY-UHFFFAOYSA-N203.8Ex 203.76(BP est) -21.28(MP est) ----(BP exp) ----(MP exp) C(I)(C(I)CF) -21.3PredN
C(C(F)C(I)I)13398313.88C3H5FI22-fluoro-1,1-diiodopropaneN116C(C(F)C(I)I)InChI=1S/C3H5FI2/c1-2(4)3(5)6/h2-3H,1H3InChIKey=SVXARDYYIWWTKR-UHFFFAOYSA-N191.7Ex 191.70(BP est) -32.30(MP est) ----(BP exp) ----(MP exp) C(C(F)C(I)I) -32.3PredN
C(C(F)(I)CI)13399313.88C3H5FI22-fluoro-1,2-diiodopropaneN116C(C(F)(I)CI)InChI=1S/C3H5FI2/c1-3(4,6)2-5/h2H2,1H3InChIKey=CVAIIFXKKARVTO-UHFFFAOYSA-N195.9Ex 195.87(BP est) -14.88(MP est) ----(BP exp) ----(MP exp) C(C(F)(I)CI) -14.9PredN
C(I)(C(F)CI)13400313.88C3H5FI22-fluoro-1,3-diiodopropaneN116C(I)(C(F)CI)InChI=1S/C3H5FI2/c4-3(1-5)2-6/h3H,1-2H2InChIKey=NYYIAKMSMKSPTE-UHFFFAOYSA-N203.8Ex 203.76(BP est) -21.28(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)CI) -21.3PredN
C(F)(CC(I)I)13401313.88C3H5FI23-fluoro-1,1-diiodopropaneN116C(F)(CC(I)I)InChI=1S/C3H5FI2/c4-2-1-3(5)6/h3H,1-2H2InChIKey=FXEHRXJGDRQQBC-UHFFFAOYSA-N203.8Ex 203.76(BP est) -21.28(MP est) ----(BP exp) ----(MP exp) C(F)(CC(I)I) -21.3PredN
C(I)=C(Cl)(I)13402314.289C2HClI21-chloro-1,2-diiodoetheneN65C(I)=C(Cl)(I)InChI=1S/C2HClI2/c3-2(5)1-4/h1HInChIKey=RGNOBRHTHOGDHZ-UHFFFAOYSA-N223.8Ex 223.80(BP est) -8.42(MP est) ----(BP exp) ----(MP exp) C(I)=C(Cl)(I) -8.4PredN
C(Cl)=C(I)(I)13403314.289C2HClI22-chloro-1,1-diiodoetheneN65C(Cl)=C(I)(I)InChI=1S/C2HClI2/c3-1-2(4)5/h1HInChIKey=GXIGFXQKUWQAMJ-UHFFFAOYSA-N223.8Ex 223.80(BP est) -8.42(MP est) ----(BP exp) ----(MP exp) C(Cl)=C(I)(I) -8.4PredN
CNC(F)(I)(I)13405314.868C2H4FI2N1-fluoro-1,1-diiodo-N-methylmethanamineN106CNC(F)(I)(I)InChI=1S/C2H4FI2N/c1-6-2(3,4)5/h6H,1H3InChIKey=DDBSLSQWCJTWBY-UHFFFAOYSA-N213.0Ex 213.00(BP est) 10.82(MP est) ----(BP exp) ----(MP exp) CNC(F)(I)(I) 10.8PredN
NC(F)(I)(CI)13406314.868C2H4FI2N1-fluoro-1,2-diiodoethan-1-amineN106NC(F)(I)(CI)InChI=1S/C2H4FI2N/c3-2(5,6)1-4/h1,6H2InChIKey=KKBRHZANMKHPLA-UHFFFAOYSA-N227.8Ex 227.83(BP est) 30.45(MP est) ----(BP exp) ----(MP exp) NC(F)(I)(CI) 30.5PredN
C(I)NC(F)(I)13407314.868C2H4FI2N1-fluoro-1-iodo-N-(iodomethyl)methanamineN106C(I)NC(F)(I)InChI=1S/C2H4FI2N/c3-2(5)6-1-4/h2,6H,1H2InChIKey=HIGYOAYKOOJWJA-UHFFFAOYSA-N220.6Ex 220.59(BP est) 4.32(MP est) ----(BP exp) ----(MP exp) C(I)NC(F)(I) 4.3PredN
NC(F)(C(I)I)13408314.868C2H4FI2N1-fluoro-2,2-diiodoethan-1-amineN106NC(F)(C(I)I)InChI=1S/C2H4FI2N/c3-1(6)2(4)5/h1-2H,6H2InChIKey=GCQYZKCTGZFOST-UHFFFAOYSA-N224.0Ex 223.97(BP est) 13.11(MP est) ----(BP exp) ----(MP exp) NC(F)(C(I)I) 13.1PredN
NC(I)(I)(CF)13409314.868C2H4FI2N2-fluoro-1,1-diiodoethan-1-amineN106NC(I)(I)(CF)InChI=1S/C2H4FI2N/c3-1-2(4,5)6/h1,6H2InChIKey=IDOITTYNUFVSGA-UHFFFAOYSA-N227.8Ex 227.83(BP est) 30.45(MP est) ----(BP exp) ----(MP exp) NC(I)(I)(CF) 30.5PredN
NC(I)(C(F)I)13410314.868C2H4FI2N2-fluoro-1,2-diiodoethan-1-amineN106NC(I)(C(F)I)InChI=1S/C2H4FI2N/c3-1(4)2(5)6/h1-2H,6H2InChIKey=GAFJWZCWFDLKQN-UHFFFAOYSA-N224.0Ex 223.97(BP est) 13.11(MP est) ----(BP exp) ----(MP exp) NC(I)(C(F)I) 13.1PredN
NC(C(F)(I)I)13411314.868C2H4FI2N2-fluoro-2,2-diiodoethan-1-amineN106NC(C(F)(I)I)InChI=1S/C2H4FI2N/c3-2(4,5)1-6/h1,6H2InChIKey=ZIESCDOVJKOWKZ-UHFFFAOYSA-N227.8Ex 227.83(BP est) 30.45(MP est) ----(BP exp) ----(MP exp) NC(C(F)(I)I) 30.5PredN
C(F)NC(I)(I)13412314.868C2H4FI2NN-(fluoromethyl)-1,1-diiodomethanamineN106C(F)NC(I)(I)InChI=1S/C2H4FI2N/c3-1-6-2(4)5/h2,6H,1H2InChIKey=KMXHRVSETFLYDV-UHFFFAOYSA-N220.6Ex 220.59(BP est) 4.32(MP est) ----(BP exp) ----(MP exp) C(F)NC(I)(I) 4.3PredN
C(I)(I)=C(F)(F)13413315.828C2F2I21,1-difluoro-2,2-diiodoetheneN66C(I)(I)=C(F)(F)InChI=1S/C2F2I2/c3-1(4)2(5)6InChIKey=KNSFKFHTFBRGMX-UHFFFAOYSA-N193.0Ex 193.03(BP est) -38.76(MP est) ----(BP exp) ----(MP exp) C(I)(I)=C(F)(F) -38.8PredN
C(F)(I)=C(F)(I)13414315.828C2F2I21,2-difluoro-1,2-diiodoetheneN66C(F)(I)=C(F)(I)InChI=1S/C2F2I2/c3-1(5)2(4)6InChIKey=UUIFDQGXGZCWDP-UHFFFAOYSA-N193.0Ex 193.03(BP est) -38.76(MP est) ----(BP exp) ----(MP exp) C(F)(I)=C(F)(I) -38.8PredN
C(F)OC(I)(I)13415315.852C2H3FI2O(fluoromethoxy)diiodomethaneN96C(F)OC(I)(I)InChI=1S/C2H3FI2O/c3-1-6-2(4)5/h2H,1H2InChIKey=FUTMCKBUBKSQRO-UHFFFAOYSA-N204.5Ex 204.53(BP est) -15.58(MP est) ----(BP exp) ----(MP exp) C(F)OC(I)(I) -15.6PredN
COC(F)(I)(I)13416315.852C2H3FI2Ofluorodiiodo(methoxy)methaneN96COC(F)(I)(I)InChI=1S/C2H3FI2O/c1-6-2(3,4)5/h1H3InChIKey=BBLQNJBCTPMCGJ-UHFFFAOYSA-N196.7Ex 196.65(BP est) -9.17(MP est) ----(BP exp) ----(MP exp) COC(F)(I)(I) -9.2PredN
C(I)OC(F)(I)13417315.852C2H3FI2Ofluoroiodo(iodomethoxy)methaneN96C(I)OC(F)(I)InChI=1S/C2H3FI2O/c3-2(5)6-1-4/h2H,1H2InChIKey=GCKZAOSLUYXYHH-UHFFFAOYSA-N204.5Ex 204.53(BP est) -15.58(MP est) ----(BP exp) ----(MP exp) C(I)OC(F)(I) -15.6PredN
NNC(F)(I)(I)13418315.856CH3FI2N2(fluorodiiodomethyl)hydrazineN96NNC(F)(I)(I)InChI=1S/CH3FI2N2/c2-1(3,4)6-5/h6H,5H2InChIKey=RMYZQGSNVMPNBG-UHFFFAOYSA-N243.7Ex 243.67(BP est) 46.72(MP est) ----(BP exp) ----(MP exp) NNC(F)(I)(I) 46.7PredN
C(C(Cl)(I)I)13419316.305C2H3ClI21-chloro-1,1-diiodoethaneN85C(C(Cl)(I)I)InChI=1S/C2H3ClI2/c1-2(3,4)5/h1H3InChIKey=RJLDZPUHVCZCKB-UHFFFAOYSA-N205.6Ex 205.62(BP est) -3.00(MP est) ----(BP exp) ----(MP exp) C(C(Cl)(I)I) -3PredN
C(I)(C(Cl)I)13420316.305C2H3ClI21-chloro-1,2-diiodoethaneN85C(I)(C(Cl)I)InChI=1S/C2H3ClI2/c3-2(5)1-4/h2H,1H2InChIKey=YKAGPPUQBBABGE-UHFFFAOYSA-N223.7Ex 223.71(BP est) -6.43(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)I) -6.4PredN
C(Cl)(C(I)I)13421316.305C2H3ClI22-chloro-1,1-diiodoethaneN85C(Cl)(C(I)I)InChI=1S/C2H3ClI2/c3-1-2(4)5/h2H,1H2InChIKey=XVPUAZHITHZDPP-UHFFFAOYSA-N233.8Ex 233.83(BP est) -3.47(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(I)I) -3.5PredN
NOC(I)(I)F13422316.84CH2FI2NOO-(fluorodiiodomethyl)hydroxylamineN86NOC(I)(I)FInChI=1S/CH2FI2NO/c2-1(3,4)6-5/h5H2InChIKey=BOHBTCJFCJTLKJ-UHFFFAOYSA-N228.6Ex 228.55(BP est) 36.14(MP est) ----(BP exp) ----(MP exp) NOC(I)(I)F 36.1PredN
C(Br)(Br)(F)(I)13423317.722CBr2FIdibromofluoroiodomethaneN55C(Br)(Br)(F)(I)InChI=1S/CBr2FI/c2-1(3,4)5InChIKey=NBMPIOUWRNYXES-UHFFFAOYSA-N191.4Ex 191.44(BP est) 3.33(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(F)(I) 3.3PredN
PC(I)(F)I13424317.808CH2FI2P(fluorodiiodomethyl)phosphaneN75PC(I)(F)IInChI=1S/CH2FI2P/c2-1(3,4)5/h5H2InChIKey=JSHJOWIXKAGZSO-UHFFFAOYSA-N206.5Ex 206.45(BP est) -7.37(MP est) ----(BP exp) ----(MP exp) PC(I)(F)I -7.4PredN
C(I)(C(F)(F)I)13425317.844C2H2F2I21,1-difluoro-1,2-diiodoethaneN86C(I)(C(F)(F)I)InChI=1S/C2H2F2I2/c3-2(4,6)1-5/h1H2InChIKey=PYUFJIPBTPKNTQ-UHFFFAOYSA-N177.4Ex 177.37(BP est) -25.62(MP est) ----(BP exp) ----(MP exp) C(I)(C(F)(F)I) -25.6PredN
C(I)(I)(C(F)F)13426317.844C2H2F2I21,1-difluoro-2,2-diiodoethaneN86C(I)(I)(C(F)F)InChI=1S/C2H2F2I2/c3-1(4)2(5)6/h1-2HInChIKey=JQYOTGDBUPPJTO-UHFFFAOYSA-N173.0Ex 173.03(BP est) -43.09(MP est) ----(BP exp) ----(MP exp) C(I)(I)(C(F)F) -43.1PredN
C(F)(C(F)(I)I)13427317.844C2H2F2I21,2-difluoro-1,1-diiodoethaneN86C(F)(C(F)(I)I)InChI=1S/C2H2F2I2/c3-1-2(4,5)6/h1H2InChIKey=IRHNZLFOUZEKFO-UHFFFAOYSA-N177.4Ex 177.37(BP est) -25.62(MP est) ----(BP exp) ----(MP exp) C(F)(C(F)(I)I) -25.6PredN
C(F)(I)(C(F)I)13428317.844C2H2F2I21,2-difluoro-1,2-diiodoethaneN86C(F)(I)(C(F)I)InChI=1S/C2H2F2I2/c3-1(5)2(4)6/h1-2HInChIKey=DDSOBYPCQAZZCZ-UHFFFAOYSA-N173.0Ex 173.03(BP est) -43.09(MP est) ----(BP exp) ----(MP exp) C(F)(I)(C(F)I) -43.1PredN
C(Cl)(F)(I)(I)13429320.268CClFI2chlorofluorodiiodomethaneN55C(Cl)(F)(I)(I)InChI=1S/CClFI2/c2-1(3,4)5InChIKey=KRMKVMPRGWVUNY-UHFFFAOYSA-N187.5Ex 187.52(BP est) -13.62(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(I)(I) -13.6PredN
PC(C#C)(I)I13430323.84C3H3I2P(1,1-diiodoprop-2-yn-1-yl)phosphaneN96PC(C#C)(I)IInChI=1S/C3H3I2P/c1-2-3(4,5)6/h1H,6H2InChIKey=DHMQIBWJRFWNPA-UHFFFAOYSA-N248.4Ex 248.36(BP est) 39.32(MP est) ----(BP exp) ----(MP exp) PC(C#C)(I)I 39.3PredN
PC(I)C#CI13431323.84C3H3I2P(1,3-diiodoprop-2-yn-1-yl)phosphaneN96PC(I)C#CIInChI=1S/C3H3I2P/c4-2-1-3(5)6/h3H,6H2InChIKey=RGTXCFBLJIWWTP-UHFFFAOYSA-N261.6Ex 261.62(BP est) 55.73(MP est) ----(BP exp) ----(MP exp) PC(I)C#CI 55.7PredN
IC(PC#C)I13432323.84C3H3I2P(diiodomethyl)(ethynyl)phosphaneN96IC(PC#C)IInChI=1S/C3H3I2P/c1-2-6-3(4)5/h1,3,6HInChIKey=RJSVTNWPSMNZTK-UHFFFAOYSA-N240.1Ex 240.12(BP est) 20.02(MP est) ----(BP exp) ----(MP exp) IC(PC#C)I 20PredN
ICPC#CI13433323.84C3H3I2P(iodoethynyl)(iodomethyl)phosphaneN96ICPC#CIInChI=1S/C3H3I2P/c4-1-2-6-3-5/h6H,3H2InChIKey=VZJSYTBWDASWDG-UHFFFAOYSA-N257.3Ex 257.26(BP est) 53.58(MP est) ----(BP exp) ----(MP exp) ICPC#CI 53.6PredN
IC1(I)C=CP113434323.84C3H3I2P2,2-diiodo-1,2-dihydrophospheteN96IC1(I)C=CP1InChI=1S/C3H3I2P/c4-3(5)1-2-6-3/h1-2,6HInChIKey=BFTXUEKXJWFCKC-UHFFFAOYSA-N240.6Ex 240.58(BP est) 25.47(MP est) ----(BP exp) ----(MP exp) IC1(I)C=CP1 25.5PredN
IC1C(I)=CP113435323.84C3H3I2P2,3-diiodo-1,2-dihydrophospheteN96IC1C(I)=CP1InChI=1S/C3H3I2P/c4-2-1-6-3(2)5/h1,3,6HInChIKey=LPKSMDYKNLBTHT-UHFFFAOYSA-N248.4Ex 248.44(BP est) 22.08(MP est) ----(BP exp) ----(MP exp) IC1C(I)=CP1 22.1PredN
IC1C=C(I)P113436323.84C3H3I2P2,4-diiodo-1,2-dihydrophospheteN96IC1C=C(I)P1InChI=1S/C3H3I2P/c4-2-1-3(5)6-2/h1-2,6HInChIKey=FKHAVLUWNOIUSV-UHFFFAOYSA-N248.4Ex 248.44(BP est) 22.08(MP est) ----(BP exp) ----(MP exp) IC1C=C(I)P1 22.1PredN
IC1=C(CP1)I13437323.84C3H3I2P3,4-diiodo-1,2-dihydrophospheteN96IC1=C(CP1)IInChI=1S/C3H3I2P/c4-2-1-6-3(2)5/h6H,1H2InChIKey=SBVCIYWYEFWQAU-UHFFFAOYSA-N252.0Ex 252.00(BP est) 31.50(MP est) ----(BP exp) ----(MP exp) IC1=C(CP1)I 31.5PredN
PC(C=C)(I)I13438325.856C3H5I2P(1,1-diiodoallyl)phosphaneN116PC(C=C)(I)IInChI=1S/C3H5I2P/c1-2-3(4,5)6/h2H,1,6H2InChIKey=LPVCIYYUNMOYKH-UHFFFAOYSA-N240.8Ex 240.79(BP est) 12.75(MP est) ----(BP exp) ----(MP exp) PC(C=C)(I)I 12.8PredN
PC(I)C(I)=C13439325.856C3H5I2P(1,2-diiodoallyl)phosphaneN116PC(I)C(I)=CInChI=1S/C3H5I2P/c1-2(4)3(5)6/h3H,1,6H2InChIKey=CEDRHCOHSKSMHB-UHFFFAOYSA-N243.0Ex 243.00(BP est) -2.30(MP est) ----(BP exp) ----(MP exp) PC(I)C(I)=C -2.3PredN
CPC(I)=CI13440325.856C3H5I2P(1,2-diiodovinyl)(methyl)phosphaneN116CPC(I)=CIInChI=1S/C3H5I2P/c1-6-3(5)2-4/h2,6H,1H3InChIKey=BUSLYQYJNFCTQQ-UHFFFAOYSA-N245.3Ex 245.25(BP est) -3.98(MP est) ----(BP exp) ----(MP exp) CPC(I)=CI -4PredN
PC(I)C=CI13441325.856C3H5I2P(1,3-diiodoallyl)phosphaneN116PC(I)C=CIInChI=1S/C3H5I2P/c4-2-1-3(5)6/h1-3H,6H2InChIKey=IKHSDAJNKLZLAC-UHFFFAOYSA-N254.5Ex 254.51(BP est) 6.38(MP est) ----(BP exp) ----(MP exp) PC(I)C=CI 6.4PredN
CPC=C(I)I13442325.856C3H5I2P(2,2-diiodovinyl)(methyl)phosphaneN116CPC=C(I)IInChI=1S/C3H5I2P/c1-6-2-3(4)5/h2,6H,1H3InChIKey=GBDZKKPDKIZNJL-UHFFFAOYSA-N245.3Ex 245.25(BP est) -3.98(MP est) ----(BP exp) ----(MP exp) CPC=C(I)I -4PredN
PCC(I)=CI13443325.856C3H5I2P(2,3-diiodoallyl)phosphaneN116PCC(I)=CIInChI=1S/C3H5I2P/c4-1-3(5)2-6/h1H,2,6H2InChIKey=ZAGXNFVQJGSOEP-UHFFFAOYSA-N260.2Ex 260.16(BP est) 8.55(MP est) ----(BP exp) ----(MP exp) PCC(I)=CI 8.6PredN
PCC=C(I)I13444325.856C3H5I2P(3,3-diiodoallyl)phosphaneN116PCC=C(I)IInChI=1S/C3H5I2P/c4-3(5)1-2-6/h1H,2,6H2InChIKey=GAVRJOREOBVEHR-UHFFFAOYSA-N260.2Ex 260.16(BP est) 8.55(MP est) ----(BP exp) ----(MP exp) PCC=C(I)I 8.6PredN
IC(PC=C)I13445325.856C3H5I2P(diiodomethyl)(vinyl)phosphaneN116IC(PC=C)IInChI=1S/C3H5I2P/c1-2-6-3(4)5/h2-3,6H,1H2InChIKey=GAJIJFNOCAAAPU-UHFFFAOYSA-N232.4Ex 232.38(BP est) -6.60(MP est) ----(BP exp) ----(MP exp) IC(PC=C)I -6.6PredN
ICPC(I)=C13446325.856C3H5I2P(iodomethyl)(1-iodovinyl)phosphaneN116ICPC(I)=CInChI=1S/C3H5I2P/c1-3(5)6-2-4/h6H,1-2H2InChIKey=UXTSUEHNXMDUBC-UHFFFAOYSA-N238.4Ex 238.40(BP est) -4.33(MP est) ----(BP exp) ----(MP exp) ICPC(I)=C -4.3PredN
ICPC=CI13447325.856C3H5I2P(iodomethyl)(2-iodovinyl)phosphaneN116ICPC=CIInChI=1S/C3H5I2P/c4-1-2-6-3-5/h1-2,6H,3H2InChIKey=KQJOJGXCEADAIG-UHFFFAOYSA-N250.1Ex 250.06(BP est) 4.40(MP est) ----(BP exp) ----(MP exp) ICPC=CI 4.4PredN
IC(P1CC1)I13448325.856C3H5I2P1-(diiodomethyl)phosphiraneN116IC(P1CC1)IInChI=1S/C3H5I2P/c4-3(5)6-1-2-6/h3H,1-2H2InChIKey=BIJXPWITDLNTDY-UHFFFAOYSA-N241.2Ex 241.15(BP est) 9.00(MP est) ----(BP exp) ----(MP exp) IC(P1CC1)I 9PredN
CP1C(I)(I)C113449325.856C3H5I2P2,2-diiodo-1-methylphosphiraneN116CP1C(I)(I)C1InChI=1S/C3H5I2P/c1-6-2-3(6,4)5/h2H2,1H3InChIKey=PZHSSTXGLPRIJK-UHFFFAOYSA-N237.3Ex 237.28(BP est) 25.20(MP est) ----(BP exp) ----(MP exp) CP1C(I)(I)C1 25.2PredN
IC1(I)CCP113450325.856C3H5I2P2,2-diiodophosphetaneN116IC1(I)CCP1InChI=1S/C3H5I2P/c4-3(5)1-2-6-3/h6H,1-2H2InChIKey=JWYIWHZWAHJGHU-UHFFFAOYSA-N238.2Ex 238.22(BP est) 24.40(MP est) ----(BP exp) ----(MP exp) IC1(I)CCP1 24.4PredN
CP1C(I)C1I13451325.856C3H5I2P2,3-diiodo-1-methylphosphiraneN116CP1C(I)C1IInChI=1S/C3H5I2P/c1-6-2(4)3(6)5/h2-3H,1H3InChIKey=XYFKIIVIXKDLMM-UHFFFAOYSA-N241.6Ex 241.57(BP est) 12.39(MP est) ----(BP exp) ----(MP exp) CP1C(I)C1I 12.4PredN
IC1C(I)CP113452325.856C3H5I2P2,3-diiodophosphetaneN116IC1C(I)CP1InChI=1S/C3H5I2P/c4-2-1-6-3(2)5/h2-3,6H,1H2InChIKey=JPOUPRRGISKWNH-UHFFFAOYSA-N242.5Ex 242.49(BP est) 11.58(MP est) ----(BP exp) ----(MP exp) IC1C(I)CP1 11.6PredN
IC1CC(I)P113453325.856C3H5I2P2,4-diiodophosphetaneN116IC1CC(I)P1InChI=1S/C3H5I2P/c4-2-1-3(5)6-2/h2-3,6H,1H2InChIKey=VSVIOWOQPVTOCE-UHFFFAOYSA-N242.5Ex 242.49(BP est) 11.58(MP est) ----(BP exp) ----(MP exp) IC1CC(I)P1 11.6PredN
ICP1C(I)C113454325.856C3H5I2P2-iodo-1-(iodomethyl)phosphiraneN116ICP1C(I)C1InChI=1S/C3H5I2P/c4-2-6-1-3(6)5/h3H,1-2H2InChIKey=ZWUBSYOQKDNWHJ-UHFFFAOYSA-N246.7Ex 246.73(BP est) 16.01(MP est) ----(BP exp) ----(MP exp) ICP1C(I)C1 16PredN
IC1(I)CPC113455325.856C3H5I2P3,3-diiodophosphetaneN116IC1(I)CPC1InChI=1S/C3H5I2P/c4-3(5)1-6-2-3/h6H,1-2H2InChIKey=IDDAUHUGFWQMJR-UHFFFAOYSA-N238.2Ex 238.22(BP est) 24.40(MP est) ----(BP exp) ----(MP exp) IC1(I)CPC1 24.4PredN
CPC(C)(I)I13457327.872C3H7I2P(1,1-diiodoethyl)(methyl)phosphaneN136CPC(C)(I)IInChI=1S/C3H7I2P/c1-3(4,5)6-2/h6H,1-2H3InChIKey=KGWXAXZNBWCFMD-UHFFFAOYSA-N226.4Ex 226.42(BP est) 1.25(MP est) ----(BP exp) ----(MP exp) CPC(C)(I)I 1.3PredN
PC(CC)(I)I13458327.872C3H7I2P(1,1-diiodopropyl)phosphaneN136PC(CC)(I)IInChI=1S/C3H7I2P/c1-2-3(4,5)6/h2,6H2,1H3InChIKey=SJUCECCNYXFIHU-UHFFFAOYSA-N242.1Ex 242.13(BP est) 14.02(MP est) ----(BP exp) ----(MP exp) PC(CC)(I)I 14PredN
CPC(I)CI13459327.872C3H7I2P(1,2-diiodoethyl)(methyl)phosphaneN136CPC(I)CIInChI=1S/C3H7I2P/c1-6-3(5)2-4/h3,6H,2H2,1H3InChIKey=MIBIGNHWZIELSX-UHFFFAOYSA-N233.8Ex 233.75(BP est) -5.32(MP est) ----(BP exp) ----(MP exp) CPC(I)CI -5.3PredN
PC(I)C(I)C13460327.872C3H7I2P(1,2-diiodopropyl)phosphaneN136PC(I)C(I)CInChI=1S/C3H7I2P/c1-2(4)3(5)6/h2-3H,6H2,1H3InChIKey=DXHLMLRBAUHIGV-UHFFFAOYSA-N238.4Ex 238.42(BP est) -3.27(MP est) ----(BP exp) ----(MP exp) PC(I)C(I)C -3.3PredN
PC(I)CCI13461327.872C3H7I2P(1,3-diiodopropyl)phosphaneN136PC(I)CCIInChI=1S/C3H7I2P/c4-2-1-3(5)6/h3H,1-2,6H2InChIKey=BHZMXUADAQHIDI-UHFFFAOYSA-N249.2Ex 249.15(BP est) 7.36(MP est) ----(BP exp) ----(MP exp) PC(I)CCI 7.4PredN
ICPC(I)C13462327.872C3H7I2P(1-iodoethyl)(iodomethyl)phosphaneN136ICPC(I)CInChI=1S/C3H7I2P/c1-3(5)6-2-4/h3,6H,2H2,1H3InChIKey=FMMUTVOTPMQBCK-UHFFFAOYSA-N233.8Ex 233.75(BP est) -5.32(MP est) ----(BP exp) ----(MP exp) ICPC(I)C -5.3PredN
CPCC(I)I13463327.872C3H7I2P(2,2-diiodoethyl)(methyl)phosphaneN136CPCC(I)IInChI=1S/C3H7I2P/c1-6-2-3(4)5/h3,6H,2H2,1H3InChIKey=NRNYZJBPPZRRRE-UHFFFAOYSA-N233.8Ex 233.75(BP est) -5.32(MP est) ----(BP exp) ----(MP exp) CPCC(I)I -5.3PredN
PCC(C)(I)I13464327.872C3H7I2P(2,2-diiodopropyl)phosphaneN136PCC(C)(I)IInChI=1S/C3H7I2P/c1-3(4,5)2-6/h2,6H2,1H3InChIKey=DVSODAMEOFNBJJ-UHFFFAOYSA-N242.1Ex 242.13(BP est) 14.02(MP est) ----(BP exp) ----(MP exp) PCC(C)(I)I 14PredN
PCC(I)CI13465327.872C3H7I2P(2,3-diiodopropyl)phosphaneN136PCC(I)CIInChI=1S/C3H7I2P/c4-1-3(5)2-6/h3H,1-2,6H2InChIKey=IVFFSTKRTPGTKW-UHFFFAOYSA-N249.2Ex 249.15(BP est) 7.36(MP est) ----(BP exp) ----(MP exp) PCC(I)CI 7.4PredN
ICPCCI13466327.872C3H7I2P(2-iodoethyl)(iodomethyl)phosphaneN136ICPCCIInChI=1S/C3H7I2P/c4-1-2-6-3-5/h6H,1-3H2InChIKey=SYEPNMVUXCNOJQ-UHFFFAOYSA-N244.6Ex 244.63(BP est) 5.35(MP est) ----(BP exp) ----(MP exp) ICPCCI 5.4PredN
PCCC(I)I13467327.872C3H7I2P(3,3-diiodopropyl)phosphaneN136PCCC(I)IInChI=1S/C3H7I2P/c4-3(5)1-2-6/h3H,1-2,6H2InChIKey=FSULPZQQJNHVMX-UHFFFAOYSA-N249.2Ex 249.15(BP est) 7.36(MP est) ----(BP exp) ----(MP exp) PCCC(I)I 7.4PredN
IC(PCC)I13468327.872C3H7I2P(diiodomethyl)(ethyl)phosphaneN136IC(PCC)IInChI=1S/C3H7I2P/c1-2-6-3(4)5/h3,6H,2H2,1H3InChIKey=JWHRMXOSKKAAEW-UHFFFAOYSA-N233.8Ex 233.75(BP est) -5.32(MP est) ----(BP exp) ----(MP exp) IC(PCC)I -5.3PredN
CP(C)C(I)I13469327.872C3H7I2P(diiodomethyl)dimethylphosphaneN136CP(C)C(I)IInChI=1S/C3H7I2P/c1-6(2)3(4)5/h3H,1-2H3InChIKey=YNLBKIPAEYXVOW-UHFFFAOYSA-N234.5Ex 234.48(BP est) -5.79(MP est) ----(BP exp) ----(MP exp) CP(C)C(I)I -5.8PredN
CP(CI)CI13470327.872C3H7I2Pbis(iodomethyl)(methyl)phosphaneN136CP(CI)CIInChI=1S/C3H7I2P/c1-6(2-4)3-5/h2-3H2,1H3InChIKey=QECINIDVVOCERG-UHFFFAOYSA-N245.3Ex 245.34(BP est) 4.88(MP est) ----(BP exp) ----(MP exp) CP(CI)CI 4.9PredN
C(Br)(Br)=C(F)(I)13471329.733C2Br2FI1,1-dibromo-2-fluoro-2-iodoetheneN66C(Br)(Br)=C(F)(I)InChI=1S/C2Br2FI/c3-1(4)2(5)6InChIKey=WQECIBCYWYSOFE-UHFFFAOYSA-N225.8Ex 225.79(BP est) 1.28(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)=C(F)(I) 1.3PredN
C(Br)(I)=C(Br)(F)13472329.733C2Br2FI1,2-dibromo-1-fluoro-2-iodoetheneN66C(Br)(I)=C(Br)(F)InChI=1S/C2Br2FI/c3-1(5)2(4)6InChIKey=CXFUYDUKTLQQLU-UHFFFAOYSA-N225.8Ex 225.79(BP est) 1.28(MP est) ----(BP exp) ----(MP exp) C(Br)(I)=C(Br)(F) 1.3PredN
PC(F)=C(I)I13473329.819C2H2FI2P(1-fluoro-2,2-diiodovinyl)phosphaneN86PC(F)=C(I)IInChI=1S/C2H2FI2P/c3-1(6)2(4)5/h6H2InChIKey=ZBAHVFSNEBQGND-UHFFFAOYSA-N239.6Ex 239.60(BP est) -9.77(MP est) ----(BP exp) ----(MP exp) PC(F)=C(I)I -9.8PredN
PC(I)=C(F)I13474329.819C2H2FI2P(2-fluoro-1,2-diiodovinyl)phosphaneN86PC(I)=C(F)IInChI=1S/C2H2FI2P/c3-1(4)2(5)6/h6H2InChIKey=WHSXFBWXSFSDJV-UHFFFAOYSA-N239.6Ex 239.60(BP est) -9.77(MP est) ----(BP exp) ----(MP exp) PC(I)=C(F)I -9.8PredN
IC1C(I)(F)P113475329.819C2H2FI2P2-fluoro-2,3-diiodophosphiraneN86IC1C(I)(F)P1InChI=1S/C2H2FI2P/c3-2(5)1(4)6-2/h1,6HInChIKey=LQJFWQZFGMSWMO-UHFFFAOYSA-N214.3Ex 214.25(BP est) 11.70(MP est) ----(BP exp) ----(MP exp) IC1C(I)(F)P1 11.7PredN
FC1C(I)(I)P113476329.819C2H2FI2P3-fluoro-2,2-diiodophosphiraneN86FC1C(I)(I)P1InChI=1S/C2H2FI2P/c3-1-2(4,5)6-1/h1,6HInChIKey=YGXTWNFDJFOOHH-UHFFFAOYSA-N214.3Ex 214.25(BP est) 11.70(MP est) ----(BP exp) ----(MP exp) FC1C(I)(I)P1 11.7PredN
IC(POC)I13477329.844C2H5I2OP(diiodomethyl)(methoxy)phosphaneN116IC(POC)IInChI=1S/C2H5I2OP/c1-5-6-2(3)4/h2,6H,1H3InChIKey=KSBFPLZHEBWBMI-UHFFFAOYSA-N234.5Ex 234.46(BP est) 0.37(MP est) ----(BP exp) ----(MP exp) IC(POC)I 0.4PredN
BrC(Br)(Br)Br13478331.627CBr4perbromomethaneN55BrC(Br)(Br)BrInChI=1S/CBr4/c2-1(3,4)5InChIKey=HJUGFYREWKUQJT-UHFFFAOYSA-N189.8Ex 224.32(BP est) 34.71(MP est) 189.50(BP exp) 90.10(MP exp) BrC(Br)(Br)Br 90.1ExptY(Kladi et al. 2004)
PC(I)(Br)Br13479331.713CH2Br2IP(dibromoiodomethyl)phosphaneN75PC(I)(Br)BrInChI=1S/CH2Br2IP/c2-1(3,4)5/h5H2InChIKey=FEIXHHOWMQJKIM-UHFFFAOYSA-N238.2Ex 238.19(BP est) 32.37(MP est) ----(BP exp) ----(MP exp) PC(I)(Br)Br 32.4PredN
C(I)(C(Br)(Br)F)13480331.749C2H2Br2FI1,1-dibromo-1-fluoro-2-iodoethaneN86C(I)(C(Br)(Br)F)InChI=1S/C2H2Br2FI/c3-2(4,5)1-6/h1H2InChIKey=UBJOBRRSSQULKJ-UHFFFAOYSA-N211.3Ex 211.29(BP est) 14.76(MP est) ----(BP exp) ----(MP exp) C(I)(C(Br)(Br)F) 14.8PredN
C(F)(C(Br)(Br)I)13481331.749C2H2Br2FI1,1-dibromo-2-fluoro-1-iodoethaneN86C(F)(C(Br)(Br)I)InChI=1S/C2H2Br2FI/c3-2(4,6)1-5/h1H2InChIKey=DXPTWNMCLSYRJQ-UHFFFAOYSA-N211.3Ex 211.29(BP est) 14.76(MP est) ----(BP exp) ----(MP exp) C(F)(C(Br)(Br)I) 14.8PredN
C(Br)(Br)(C(F)I)13482331.749C2H2Br2FI1,1-dibromo-2-fluoro-2-iodoethaneN86C(Br)(Br)(C(F)I)InChI=1S/C2H2Br2FI/c3-1(4)2(5)6/h1-2HInChIKey=GOVFIPMTZZGSPN-UHFFFAOYSA-N207.3Ex 207.26(BP est) -2.63(MP est) ----(BP exp) ----(MP exp) C(Br)(Br)(C(F)I) -2.6PredN
C(Br)(C(Br)(F)I)13483331.749C2H2Br2FI1,2-dibromo-1-fluoro-1-iodoethaneN86C(Br)(C(Br)(F)I)InChI=1S/C2H2Br2FI/c3-1-2(4,5)6/h1H2InChIKey=YXCDFADNSCYCFW-UHFFFAOYSA-N211.3Ex 211.29(BP est) 14.76(MP est) ----(BP exp) ----(MP exp) C(Br)(C(Br)(F)I) 14.8PredN
C(Br)(I)(C(Br)F)13484331.749C2H2Br2FI1,2-dibromo-1-fluoro-2-iodoethaneN86C(Br)(I)(C(Br)F)InChI=1S/C2H2Br2FI/c3-1(5)2(4)6/h1-2HInChIKey=IKORRBQGFMQBCJ-UHFFFAOYSA-N207.3Ex 207.26(BP est) -2.63(MP est) ----(BP exp) ----(MP exp) C(Br)(I)(C(Br)F) -2.6PredN
O=PC(I)(F)I13485331.791CFI2OP(fluorodiiodomethyl)(oxo)phosphaneN66O=PC(I)(F)IInChI=1S/CFI2OP/c2-1(3,4)6-5InChIKey=CNXDVKQPSMEOKM-UHFFFAOYSA-N243.6Ex 243.64(BP est) 20.99(MP est) ----(BP exp) ----(MP exp) O=PC(I)(F)I 21PredN
PC(CI)(F)I13486331.835C2H4FI2P(1-fluoro-1,2-diiodoethyl)phosphaneN106PC(CI)(F)IInChI=1S/C2H4FI2P/c3-2(5,6)1-4/h1,6H2InChIKey=NPTSHXAONLWCLT-UHFFFAOYSA-N225.6Ex 225.62(BP est) 3.86(MP est) ----(BP exp) ----(MP exp) PC(CI)(F)I 3.9PredN
PC(F)C(I)I13487331.835C2H4FI2P(1-fluoro-2,2-diiodoethyl)phosphaneN106PC(F)C(I)IInChI=1S/C2H4FI2P/c3-1(6)2(4)5/h1-2H,6H2InChIKey=AVBRGMBXXFBPKM-UHFFFAOYSA-N221.7Ex 221.74(BP est) -13.49(MP est) ----(BP exp) ----(MP exp) PC(F)C(I)I -13.5PredN
PC(CF)(I)I13488331.835C2H4FI2P(2-fluoro-1,1-diiodoethyl)phosphaneN106PC(CF)(I)IInChI=1S/C2H4FI2P/c3-1-2(4,5)6/h1,6H2InChIKey=HHUKIMLEMOZEIX-UHFFFAOYSA-N225.6Ex 225.62(BP est) 3.86(MP est) ----(BP exp) ----(MP exp) PC(CF)(I)I 3.9PredN
PC(I)C(F)I13489331.835C2H4FI2P(2-fluoro-1,2-diiodoethyl)phosphaneN106PC(I)C(F)IInChI=1S/C2H4FI2P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=RQUIYBFNDMHJPL-UHFFFAOYSA-N221.7Ex 221.74(BP est) -13.49(MP est) ----(BP exp) ----(MP exp) PC(I)C(F)I -13.5PredN
PCC(I)(F)I13490331.835C2H4FI2P(2-fluoro-2,2-diiodoethyl)phosphaneN106PCC(I)(F)IInChI=1S/C2H4FI2P/c3-2(4,5)1-6/h1,6H2InChIKey=MZDDQBDDAOHAKX-UHFFFAOYSA-N225.6Ex 225.62(BP est) 3.86(MP est) ----(BP exp) ----(MP exp) PCC(I)(F)I 3.9PredN
FCPC(I)I13491331.835C2H4FI2P(diiodomethyl)(fluoromethyl)phosphaneN106FCPC(I)IInChI=1S/C2H4FI2P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=CIXXXXGXDVNYCO-UHFFFAOYSA-N216.9Ex 216.86(BP est) -15.59(MP est) ----(BP exp) ----(MP exp) FCPC(I)I -15.6PredN
CPC(I)(F)I13492331.835C2H4FI2P(fluorodiiodomethyl)(methyl)phosphaneN106CPC(I)(F)IInChI=1S/C2H4FI2P/c1-6-2(3,4)5/h6H,1H3InChIKey=JIUCAMFMQWULSG-UHFFFAOYSA-N209.2Ex 209.21(BP est) -9.12(MP est) ----(BP exp) ----(MP exp) CPC(I)(F)I -9.1PredN
ICPC(F)I13493331.835C2H4FI2P(fluoroiodomethyl)(iodomethyl)phosphaneN106ICPC(F)IInChI=1S/C2H4FI2P/c3-2(5)6-1-4/h2,6H,1H2InChIKey=RXJVKUPOUGWRAS-UHFFFAOYSA-N216.9Ex 216.86(BP est) -15.59(MP est) ----(BP exp) ----(MP exp) ICPC(F)I -15.6PredN
C(Cl)(F)=C(I)(I)13495332.279C2ClFI21-chloro-1-fluoro-2,2-diiodoetheneN66C(Cl)(F)=C(I)(I)InChI=1S/C2ClFI2/c3-1(4)2(5)6InChIKey=MDMQGVLSBMVVKL-UHFFFAOYSA-N220.5Ex 220.49(BP est) -16.07(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)=C(I)(I) -16.1PredN
C(Cl)(I)=C(F)(I)13496332.279C2ClFI21-chloro-2-fluoro-1,2-diiodoetheneN66C(Cl)(I)=C(F)(I)InChI=1S/C2ClFI2/c3-1(5)2(4)6InChIKey=HOZATULEUMSYHU-UHFFFAOYSA-N220.5Ex 220.49(BP est) -16.07(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)=C(F)(I) -16.1PredN
PC(I)(Cl)I13497334.26CH2ClI2P(chlorodiiodomethyl)phosphaneN75PC(I)(Cl)IInChI=1S/CH2ClI2P/c2-1(3,4)5/h5H2InChIKey=KGDLXVMBRYLGDZ-UHFFFAOYSA-N234.7Ex 234.69(BP est) 15.54(MP est) ----(BP exp) ----(MP exp) PC(I)(Cl)I 15.5PredN
C(I)(C(Cl)(F)I)13498334.295C2H2ClFI21-chloro-1-fluoro-1,2-diiodoethaneN86C(I)(C(Cl)(F)I)InChI=1S/C2H2ClFI2/c3-2(4,6)1-5/h1H2InChIKey=NDYYJVPWHCHPBV-UHFFFAOYSA-N207.5Ex 207.54(BP est) -2.15(MP est) ----(BP exp) ----(MP exp) C(I)(C(Cl)(F)I) -2.2PredN
C(Cl)(F)(C(I)I)13499334.295C2H2ClFI21-chloro-1-fluoro-2,2-diiodoethaneN86C(Cl)(F)(C(I)I)InChI=1S/C2H2ClFI2/c3-1(4)2(5)6/h1-2HInChIKey=IEQLJTWJPPIUMY-UHFFFAOYSA-N214.1Ex 214.09(BP est) -16.44(MP est) ----(BP exp) ----(MP exp) C(Cl)(F)(C(I)I) -16.4PredN
C(F)(C(Cl)(I)I)13500334.295C2H2ClFI21-chloro-2-fluoro-1,1-diiodoethaneN86C(F)(C(Cl)(I)I)InChI=1S/C2H2ClFI2/c3-2(5,6)1-4/h1H2InChIKey=YRGOVWNKDXHGHM-UHFFFAOYSA-N207.5Ex 207.54(BP est) -2.15(MP est) ----(BP exp) ----(MP exp) C(F)(C(Cl)(I)I) -2.2PredN
C(Cl)(I)(C(F)I)13501334.295C2H2ClFI21-chloro-2-fluoro-1,2-diiodoethaneN86C(Cl)(I)(C(F)I)InChI=1S/C2H2ClFI2/c3-1(5)2(4)6/h1-2HInChIKey=UNEJPSSOZSMDJS-UHFFFAOYSA-N214.1Ex 214.09(BP est) -16.44(MP est) ----(BP exp) ----(MP exp) C(Cl)(I)(C(F)I) -16.4PredN
C(Cl)(C(F)(I)I)13502334.295C2H2ClFI22-chloro-1-fluoro-1,1-diiodoethaneN86C(Cl)(C(F)(I)I)InChI=1S/C2H2ClFI2/c3-1-2(4,5)6/h1H2InChIKey=IUSCGJNCYSNXGB-UHFFFAOYSA-N228.3Ex 228.33(BP est) 3.92(MP est) ----(BP exp) ----(MP exp) C(Cl)(C(F)(I)I) 3.9PredN
PC(Br)=C(Br)I13503343.724C2H2Br2IP(1,2-dibromo-2-iodovinyl)phosphaneN86PC(Br)=C(Br)IInChI=1S/C2H2Br2IP/c3-1(5)2(4)6/h6H2InChIKey=JSRONVAYCJUMCD-UHFFFAOYSA-N268.7Ex 268.66(BP est) 29.19(MP est) ----(BP exp) ----(MP exp) PC(Br)=C(Br)I 29.2PredN
PC(I)=C(Br)Br13504343.724C2H2Br2IP(2,2-dibromo-1-iodovinyl)phosphaneN86PC(I)=C(Br)BrInChI=1S/C2H2Br2IP/c3-1(4)2(5)6/h6H2InChIKey=QRKJSFJXBFZBFB-UHFFFAOYSA-N268.7Ex 268.66(BP est) 29.19(MP est) ----(BP exp) ----(MP exp) PC(I)=C(Br)Br 29.2PredN
IC1C(Br)(Br)P113505343.724C2H2Br2IP2,2-dibromo-3-iodophosphiraneN86IC1C(Br)(Br)P1InChI=1S/C2H2Br2IP/c3-2(4)1(5)6-2/h1,6HInChIKey=ICIBOFXJFCVFSG-UHFFFAOYSA-N245.4Ex 245.37(BP est) 44.05(MP est) ----(BP exp) ----(MP exp) IC1C(Br)(Br)P1 44.1PredN
BrC1C(I)(Br)P113506343.724C2H2Br2IP2,3-dibromo-2-iodophosphiraneN86BrC1C(I)(Br)P1InChI=1S/C2H2Br2IP/c3-1-2(4,5)6-1/h1,6HInChIKey=DITAGUOGBPOVNF-UHFFFAOYSA-N245.4Ex 245.37(BP est) 44.05(MP est) ----(BP exp) ----(MP exp) BrC1C(I)(Br)P1 44.1PredN
BrC(C(Br)Br)Br13507345.654C2H2Br41,1,2,2-tetrabromoethaneN86BrC(C(Br)Br)BrInChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2HInChIKey=QXSZNDIIPUOQMB-UHFFFAOYSA-N242.8Ex 238.93(BP est) 37.10(MP est) 243.50(BP exp) ----(MP exp) BrC(C(Br)Br)Br 37.1PredY(Gribble 2009)
PC(CI)(Br)Br13508345.74C2H4Br2IP(1,1-dibromo-2-iodoethyl)phosphaneN106PC(CI)(Br)BrInChI=1S/C2H4Br2IP/c3-2(4,6)1-5/h1,6H2InChIKey=YUYHHWGKJXQOFA-UHFFFAOYSA-N255.8Ex 255.83(BP est) 43.15(MP est) ----(BP exp) ----(MP exp) PC(CI)(Br)Br 43.2PredN
PC(CBr)(Br)I13509345.74C2H4Br2IP(1,2-dibromo-1-iodoethyl)phosphaneN106PC(CBr)(Br)IInChI=1S/C2H4Br2IP/c3-1-2(4,5)6/h1,6H2InChIKey=QBEKPOQQZDPUOJ-UHFFFAOYSA-N255.8Ex 255.83(BP est) 43.15(MP est) ----(BP exp) ----(MP exp) PC(CBr)(Br)I 43.2PredN
PC(Br)C(Br)I13510345.74C2H4Br2IP(1,2-dibromo-2-iodoethyl)phosphaneN106PC(Br)C(Br)IInChI=1S/C2H4Br2IP/c3-1(5)2(4)6/h1-2H,6H2InChIKey=QKDHHJJFLGYRFE-UHFFFAOYSA-N252.3Ex 252.26(BP est) 25.90(MP est) ----(BP exp) ----(MP exp) PC(Br)C(Br)I 25.9PredN
PC(I)C(Br)Br13511345.74C2H4Br2IP(2,2-dibromo-1-iodoethyl)phosphaneN106PC(I)C(Br)BrInChI=1S/C2H4Br2IP/c3-1(4)2(5)6/h1-2H,6H2InChIKey=OFYHOAXLQYGAMV-UHFFFAOYSA-N252.3Ex 252.26(BP est) 25.90(MP est) ----(BP exp) ----(MP exp) PC(I)C(Br)Br 25.9PredN
PCC(I)(Br)Br13512345.74C2H4Br2IP(2,2-dibromo-2-iodoethyl)phosphaneN106PCC(I)(Br)BrInChI=1S/C2H4Br2IP/c3-2(4,5)1-6/h1,6H2InChIKey=MUMFKXYGJCCNPM-UHFFFAOYSA-N255.8Ex 255.83(BP est) 43.15(MP est) ----(BP exp) ----(MP exp) PCC(I)(Br)Br 43.2PredN
BrCPC(Br)I13513345.74C2H4Br2IP(bromoiodomethyl)(bromomethyl)phosphaneN106BrCPC(Br)IInChI=1S/C2H4Br2IP/c3-1-6-2(4)5/h2,6H,1H2InChIKey=LKIFJKANUFMQCB-UHFFFAOYSA-N247.8Ex 247.78(BP est) 23.91(MP est) ----(BP exp) ----(MP exp) BrCPC(Br)I 23.9PredN
CPC(I)(Br)Br13514345.74C2H4Br2IP(dibromoiodomethyl)(methyl)phosphaneN106CPC(I)(Br)BrInChI=1S/C2H4Br2IP/c1-6-2(3,4)5/h6H,1H3InChIKey=MCGMDULMTOPFCE-UHFFFAOYSA-N240.7Ex 240.72(BP est) 30.56(MP est) ----(BP exp) ----(MP exp) CPC(I)(Br)Br 30.6PredN
ICPC(Br)Br13515345.74C2H4Br2IP(dibromomethyl)(iodomethyl)phosphaneN106ICPC(Br)BrInChI=1S/C2H4Br2IP/c3-2(4)6-1-5/h2,6H,1H2InChIKey=MZJIKICSEQIVHD-UHFFFAOYSA-N247.8Ex 247.78(BP est) 23.91(MP est) ----(BP exp) ----(MP exp) ICPC(Br)Br 23.9PredN
PC(Cl)=C(I)I13516346.271C2H2ClI2P(1-chloro-2,2-diiodovinyl)phosphaneN86PC(Cl)=C(I)IInChI=1S/C2H2ClI2P/c3-1(6)2(4)5/h6H2InChIKey=FGXDSHBEJDAICY-UHFFFAOYSA-N264.0Ex 263.98(BP est) 12.01(MP est) ----(BP exp) ----(MP exp) PC(Cl)=C(I)I 12PredN
PC(I)=C(Cl)I13517346.271C2H2ClI2P(2-chloro-1,2-diiodovinyl)phosphaneN86PC(I)=C(Cl)IInChI=1S/C2H2ClI2P/c3-1(4)2(5)6/h6H2InChIKey=ZSCMMXDOTXNXAU-UHFFFAOYSA-N264.0Ex 263.98(BP est) 12.01(MP est) ----(BP exp) ----(MP exp) PC(I)=C(Cl)I 12PredN
IC1C(I)(Cl)P113518346.271C2H2ClI2P2-chloro-2,3-diiodophosphiraneN86IC1C(I)(Cl)P1InChI=1S/C2H2ClI2P/c3-2(5)1(4)6-2/h1,6HInChIKey=XCEQEOPGHBRNBW-UHFFFAOYSA-N241.9Ex 241.94(BP est) 34.45(MP est) ----(BP exp) ----(MP exp) IC1C(I)(Cl)P1 34.5PredN
ClC1C(I)(I)P113519346.271C2H2ClI2P3-chloro-2,2-diiodophosphiraneN86ClC1C(I)(I)P1InChI=1S/C2H2ClI2P/c3-1-2(4,5)6-1/h1,6HInChIKey=BPIXYAYLYFQOSH-UHFFFAOYSA-N251.6Ex 251.55(BP est) 37.26(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(I)P1 37.3PredN
IC(I)Br13520346.732CHBrI2bromodiiodomethaneN54IC(I)BrInChI=1S/CHBrI2/c2-1(3)4/h1HInChIKey=PTGIGXMFLYACDM-UHFFFAOYSA-N225.8Ex 225.76(BP est) 3.47(MP est) ----(BP exp) ----(MP exp) IC(I)Br 3.5PredY(Gribble 2003)
PC(CI)(Cl)I13521348.287C2H4ClI2P(1-chloro-1,2-diiodoethyl)phosphaneN106PC(CI)(Cl)IInChI=1S/C2H4ClI2P/c3-2(5,6)1-4/h1,6H2InChIKey=AVCSAKUFEWZPII-UHFFFAOYSA-N252.5Ex 252.50(BP est) 26.37(MP est) ----(BP exp) ----(MP exp) PC(CI)(Cl)I 26.4PredN
PC(Cl)C(I)I13522348.287C2H4ClI2P(1-chloro-2,2-diiodoethyl)phosphaneN106PC(Cl)C(I)IInChI=1S/C2H4ClI2P/c3-1(6)2(4)5/h1-2H,6H2InChIKey=RMSCQCACWGEJLH-UHFFFAOYSA-N258.3Ex 258.32(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) PC(Cl)C(I)I 11.9PredN
PC(CCl)(I)I13523348.287C2H4ClI2P(2-chloro-1,1-diiodoethyl)phosphaneN106PC(CCl)(I)IInChI=1S/C2H4ClI2P/c3-1-2(4,5)6/h1,6H2InChIKey=NPRHPAVOJVMJGT-UHFFFAOYSA-N270.9Ex 270.90(BP est) 31.74(MP est) ----(BP exp) ----(MP exp) PC(CCl)(I)I 31.7PredN
PC(I)C(Cl)I13524348.287C2H4ClI2P(2-chloro-1,2-diiodoethyl)phosphaneN106PC(I)C(Cl)IInChI=1S/C2H4ClI2P/c3-1(4)2(5)6/h1-2H,6H2InChIKey=NOIQPWWBNZWARC-UHFFFAOYSA-N258.3Ex 258.32(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) PC(I)C(Cl)I 11.9PredN
PCC(I)(Cl)I13525348.287C2H4ClI2P(2-chloro-2,2-diiodoethyl)phosphaneN106PCC(I)(Cl)IInChI=1S/C2H4ClI2P/c3-2(4,5)1-6/h1,6H2InChIKey=KZLUBDJRIVYTOU-UHFFFAOYSA-N252.5Ex 252.50(BP est) 26.37(MP est) ----(BP exp) ----(MP exp) PCC(I)(Cl)I 26.4PredN
CPC(I)(Cl)I13526348.287C2H4ClI2P(chlorodiiodomethyl)(methyl)phosphaneN106CPC(I)(Cl)IInChI=1S/C2H4ClI2P/c1-6-2(3,4)5/h6H,1H3InChIKey=OYOXYUAKFCHQEN-UHFFFAOYSA-N237.3Ex 237.25(BP est) 13.73(MP est) ----(BP exp) ----(MP exp) CPC(I)(Cl)I 13.7PredN
ICPC(Cl)I13527348.287C2H4ClI2P(chloroiodomethyl)(iodomethyl)phosphaneN106ICPC(Cl)IInChI=1S/C2H4ClI2P/c3-2(5)6-1-4/h2,6H,1H2InChIKey=JBKWAWNIVNAYSA-UHFFFAOYSA-N253.9Ex 253.91(BP est) 9.89(MP est) ----(BP exp) ----(MP exp) ICPC(Cl)I 9.9PredN
ClCPC(I)I13528348.287C2H4ClI2P(chloromethyl)(diiodomethyl)phosphaneN106ClCPC(I)IInChI=1S/C2H4ClI2P/c3-1-6-2(4)5/h2,6H,1H2InChIKey=RSXAYFHBLFILAX-UHFFFAOYSA-N263.2Ex 263.22(BP est) 12.61(MP est) ----(BP exp) ----(MP exp) ClCPC(I)I 12.6PredN
PC(I)(Br)I13531378.714CH2BrI2P(bromodiiodomethyl)phosphaneN75PC(I)(Br)IInChI=1S/CH2BrI2P/c2-1(3,4)5/h5H2InChIKey=JHLVGAKRPKRKOJ-UHFFFAOYSA-N263.7Ex 263.66(BP est) 38.93(MP est) ----(BP exp) ----(MP exp) PC(I)(Br)I 38.9PredN
IC(I)I13533393.732CHI3iodoformN54IC(I)IInChI=1S/CHI3/c2-1(3)4/h1HInChIKey=OKJPEAGHQZHRQV-UHFFFAOYSA-N218.0Ex 252.12(BP est) 10.30(MP est) 218.00(BP exp) 119.00(MP exp) IC(I)I 119ExptY(Kladi et al. 2004)
O=CC(I)(I)I13534421.742C2HI3O2,2,2-triiodoacetaldehydeN76O=CC(I)(I)IInChI=1S/C2HI3O/c3-2(4,5)1-6/h1HInChIKey=SNWLPURUNKWTPY-UHFFFAOYSA-N302.2Ex 302.24(BP est) 60.28(MP est) ----(BP exp) ----(MP exp) O=CC(I)(I)I 60.3PredY(Gribble 2003)
N#CC=C=O1483967.047C3HNO3-oxoacrylonitrileN65N#CC=C=OInChI=1S/C3HNO/c4-2-1-3-5/h1HInChIKey=JVTCKUMKUIZLIA-UHFFFAOYSA-N-34.0Ex 93.86(BP est) -60.52(MP est) ----(BP exp) ----(MP exp) N#CC=C=O -60.5PredN
C=C=CBr14841118.961C3H3Br1-bromopropa-1,2-dieneN74C=C=CBrInChI=1S/C3H3Br/c1-2-3-4/h3H,1H2InChIKey=UUIORUQWCRSGJS-UHFFFAOYSA-N72.8Ex 77.70(BP est) -76.67(MP est) ----(BP exp) ----(MP exp) C=C=CBr -76.7PredY(Dembitsky and Maoka 2007)
C=C=CCC=C1484280.13C6H8hexa-1,2,5-trieneN146C=C=CCC=CInChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2InChIKey=KHQKGRVDIZQGHT-UHFFFAOYSA-N73.3Ex 69.78(BP est) -92.85(MP est) ----(BP exp) ----(MP exp) C=C=CCC=C -92.9PredN
C=C=CCC#C1484378.114C6H6hexa-1,2-dien-5-yneN126C=C=CCC#CInChI=1S/C6H6/c1-3-5-6-4-2/h1,6H,2,5H2InChIKey=BIFVSVOAVBNUKC-UHFFFAOYSA-N89.5Ex 80.40(BP est) -65.39(MP est) ----(BP exp) ----(MP exp) C=C=CCC#C -65.4PredN
C=C=C1CCC11484480.13C6H8vinylidenecyclobutaneN146C=C=C1CCC1InChI=1S/C6H8/c1-2-6-4-3-5-6/h1,3-5H2InChIKey=QNAICSYWLXGOPH-UHFFFAOYSA-N93.0Ex 81.05(BP est) -71.63(MP est) ----(BP exp) ----(MP exp) C=C=C1CCC1 -71.6PredN
CC/N=C/C1484671.123C4H9NN-ethylethanimineN145CC/N=C/CInChI=1S/C4H9N/c1-3-5-4-2/h3H,4H2,1-2H3InChIKey=ARYPXRGDKSAXBV-UHFFFAOYSA-N48.0Ex 57.53(BP est) -110.46(MP est) ----(BP exp) ----(MP exp) CC/N=C/C -110.5PredN
CCC/N=C/C1484785.15C5H11NN-propylethanimineN176CCC/N=C/CInChI=1S/C5H11N/c1-3-5-6-4-2/h4H,3,5H2,1-2H3InChIKey=FBXWQCRRTFRZDA-UHFFFAOYSA-N74.5Ex 82.66(BP est) -97.49(MP est) ----(BP exp) ----(MP exp) CCC/N=C/C -97.5PredN
C=C1OCC11484870.091C4H6O2-methyleneoxetaneN115C=C1OCC1InChI=1S/C4H6O/c1-4-2-3-5-4/h1-3H2InChIKey=JMVVGKJWOLWVAU-UHFFFAOYSA-N37.5Ex 60.74(BP est) -78.80(MP est) ----(BP exp) ----(MP exp) C=C1OCC1 -78.8PredN
C/C=C/CN1484971.123C4H9Nbut-2-en-1-amineN145C/C=C/CNInChI=1S/C4H9N/c1-2-3-4-5/h2-3H,4-5H2,1H3InChIKey=QFUSOYKIDBRREL-UHFFFAOYSA-N83.5Ex 95.18(BP est) -59.11(MP est) ----(BP exp) ----(MP exp) C/C=C/CN -59.1PredN
CSCN=C=O14850103.139C3H5NOS(isocyanatomethyl)(methyl)sulfaneN116CSCN=C=OInChI=1S/C3H5NOS/c1-6-3-4-2-5/h3H2,1H3InChIKey=ACQSAKKIGLJHQE-UHFFFAOYSA-N135.0Ex 135.97(BP est) -27.25(MP est) ----(BP exp) ----(MP exp) CSCN=C=O -27.3PredN
C1(C2CC2)CC11485182.146C6H101,1'-bi(cyclopropane)N166C1(C2CC2)CC1InChI=1S/C6H10/c1-2-5(1)6-3-4-6/h5-6H,1-4H2InChIKey=PGPFRBIKUWKSTJ-UHFFFAOYSA-N76.1Ex 80.01(BP est) -73.42(MP est) ----(BP exp) ----(MP exp) C1(C2CC2)CC1 -73.4PredN
C=C1C(C)(C)C11485282.146C6H101,1-dimethyl-2-methylenecyclopropaneN166C=C1C(C)(C)C1InChI=1S/C6H10/c1-5-4-6(5,2)3/h1,4H2,2-3H3InChIKey=JLXPBJLFVFPFOJ-UHFFFAOYSA-N45.6Ex 56.16(BP est) -70.57(MP est) ----(BP exp) ----(MP exp) C=C1C(C)(C)C1 -70.6PredN
CC1(C)N(C)C11485385.15C5H11N1,2,2-trimethylaziridineN176CC1(C)N(C)C1InChI=1S/C5H11N/c1-5(2)4-6(5)3/h4H2,1-3H3InChIKey=DVDMSISHJUNIAQ-UHFFFAOYSA-N65.0Ex 66.79(BP est) -43.86(MP est) ----(BP exp) ----(MP exp) CC1(C)N(C)C1 -43.9PredN
O1SCCCC114854104.167C4H8OS1,2-oxathianeN146O1SCCCC1InChI=1S/C4H8OS/c1-2-4-6-5-3-1/h1-4H2InChIKey=IVMHDOBGNQOUHO-UHFFFAOYSA-N148.5Ex 137.35(BP est) -28.07(MP est) ----(BP exp) ----(MP exp) O1SCCCC1 -28.1PredN
CC12CC1(C)C21485582.146C6H101,3-dimethylbicyclo[1.1.0]butaneN166CC12CC1(C)C2InChI=1S/C6H10/c1-5-3-6(5,2)4-5/h3-4H2,1-2H3InChIKey=IGAOOQCFXPSZTQ-UHFFFAOYSA-N54.7Ex 48.64(BP est) -55.16(MP est) ----(BP exp) ----(MP exp) CC12CC1(C)C2 -55.2PredN
O1CNCCC11485687.122C4H9NO1,3-oxazinaneN156O1CNCCC1InChI=1S/C4H9NO/c1-2-5-4-6-3-1/h5H,1-4H2InChIKey=LQPOOAJESJYDLS-UHFFFAOYSA-N135.5Ex 134.07(BP est) -15.24(MP est) ----(BP exp) ----(MP exp) O1CNCCC1 -15.2PredN
C=C1C(OC)C11485784.118C5H8O1-methoxy-2-methylenecyclopropaneN146C=C1C(OC)C1InChI=1S/C5H8O/c1-4-3-5(4)6-2/h5H,1,3H2,2H3InChIKey=BPMGQKQMJXVVEA-UHFFFAOYSA-N10.0Ex 70.53(BP est) -72.84(MP est) ----(BP exp) ----(MP exp) C=C1C(OC)C1 -72.8PredN
C/C=C/COC1485886.134C5H10O1-methoxybut-2-eneN166C/C=C/COCInChI=1S/C5H10O/c1-3-4-5-6-2/h3-4H,5H2,1-2H3InChIKey=LQBZMLRJLRSDNW-UHFFFAOYSA-N78.3Ex 80.18(BP est) -88.37(MP est) ----(BP exp) ----(MP exp) C/C=C/COC -88.4PredN
CC#CCOC1485984.118C5H8O1-methoxybut-2-yneN146CC#CCOCInChI=1S/C5H8O/c1-3-4-5-6-2/h5H2,1-2H3InChIKey=USIWFRXFQFZXGK-UHFFFAOYSA-N98.5Ex 90.40(BP est) -29.80(MP est) ----(BP exp) ----(MP exp) CC#CCOC -29.8PredN
N#CC1(C)CC11486081.118C5H7N1-methylcyclopropane-1-carbonitrileN136N#CC1(C)CC1InChI=1S/C5H7N/c1-5(4-6)2-3-5/h2-3H2,1H3InChIKey=DMHTVLQCVJYWSI-UHFFFAOYSA-N126.7Ex 134.92(BP est) -27.55(MP est) ----(BP exp) ----(MP exp) N#CC1(C)CC1 -27.6PredN
C=C1CC12CC21486180.13C6H81-methylenespiro[2.2]pentaneN146C=C1CC12CC2InChI=1S/C6H8/c1-5-4-6(5)2-3-6/h1-4H2InChIKey=XSERAKKLXVXZNK-UHFFFAOYSA-N70.5Ex 65.54(BP est) -54.98(MP est) ----(BP exp) ----(MP exp) C=C1CC12CC2 -55PredN
C/C=C/C1OC11486284.118C5H8O2-(prop-1-en-1-yl)oxiraneN146C/C=C/C1OC1InChI=1S/C5H8O/c1-2-3-5-4-6-5/h2-3,5H,4H2,1H3InChIKey=KOHBFAGTEWFCBI-UHFFFAOYSA-N102.0Ex 90.04(BP est) -74.35(MP est) ----(BP exp) ----(MP exp) C/C=C/C1OC1 -74.4PredN
C=C(N=C=O)C1486383.09C4H5NO2-isocyanatoprop-1-eneN116C=C(N=C=O)CInChI=1S/C4H5NO/c1-4(2)5-3-6/h1H2,2H3InChIKey=UKQJZQQPMIFNHE-UHFFFAOYSA-N63.0Ex 83.65(BP est) -61.95(MP est) ----(BP exp) ----(MP exp) C=C(N=C=O)C -62PredN
CC1NCC=C11486483.134C5H9N2-methyl-2,5-dihydro-1H-pyrroleN156CC1NCC=C1InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2-3,5-6H,4H2,1H3InChIKey=NTOYRGWWZZQRAC-UHFFFAOYSA-N104.5Ex 122.14(BP est) -26.35(MP est) ----(BP exp) ----(MP exp) CC1NCC=C1 -26.4PredN
CC1OCC=C11486584.118C5H8O2-methyl-2,5-dihydrofuranN146CC1OCC=C1InChI=1S/C5H8O/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3InChIKey=PEHCQOOWKYRUJF-UHFFFAOYSA-N78.5Ex 90.20(BP est) -74.91(MP est) ----(BP exp) ----(MP exp) CC1OCC=C1 -74.9PredN
C/C=C(C)/CN1486685.15C5H11N2-methylbut-2-en-1-amineN176C/C=C(C)/CNInChI=1S/C5H11N/c1-3-5(2)4-6/h3H,4,6H2,1-2H3InChIKey=PDLOGTOXFRBJKR-UHFFFAOYSA-N108.0Ex 112.54(BP est) -55.39(MP est) ----(BP exp) ----(MP exp) C/C=C(C)/CN -55.4PredN
C/C=C(C)\CO1486786.134C5H10O2-methylbut-2-en-1-olN166C/C=C(C)\COInChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3InChIKey=NEJDKFPXHQRVMV-UHFFFAOYSA-N136.5Ex 137.75(BP est) -59.25(MP est) ----(BP exp) ----(MP exp) C/C=C(C)\CO -59.3PredN
CCC(C#N)=C1486881.118C5H7N2-methylenebutanenitrileN136CCC(C#N)=CInChI=1S/C5H7N/c1-3-5(2)4-6/h2-3H2,1H3InChIKey=TVONJMOVBKMLOM-UHFFFAOYSA-N115.2Ex 135.14(BP est) -56.27(MP est) ----(BP exp) ----(MP exp) CCC(C#N)=C -56.3PredN
C12OC=CC1C21486982.102C5H6O2-oxabicyclo[3.1.0]hex-3-eneN126C12OC=CC1C2InChI=1S/C5H6O/c1-2-6-5-3-4(1)5/h1-2,4-5H,3H2InChIKey=ARIVUZXAWGMSRT-UHFFFAOYSA-N77.0Ex 89.88(BP est) -62.51(MP est) ----(BP exp) ----(MP exp) C12OC=CC1C2 -62.5PredN
CCC(C=O)=O1487086.09C4H6O22-oxobutanalN126CCC(C=O)=OInChI=1S/C4H6O2/c1-2-4(6)3-5/h3H,2H2,1H3InChIKey=RWHQMRRVZJSKGX-UHFFFAOYSA-N89.8Ex 131.13(BP est) -41.74(MP est) ----(BP exp) ----(MP exp) CCC(C=O)=O -41.7PredY(Gu et al. 2013)
CN1COCC11487187.122C4H9NO3-methyloxazolidineN156CN1COCC1InChI=1S/C4H9NO/c1-5-2-3-6-4-5/h2-4H2,1H3InChIKey=FNKSTXGVEUSZJJ-UHFFFAOYSA-N99.5Ex 98.14(BP est) -40.41(MP est) ----(BP exp) ----(MP exp) CN1COCC1 -40.4PredN
O=CC1OC1C1487286.09C4H6O23-methyloxirane-2-carbaldehydeN126O=CC1OC1CInChI=1S/C4H6O2/c1-3-4(2-5)6-3/h2-4H,1H3InChIKey=KAUFURBKZOMSKM-UHFFFAOYSA-N124.0Ex 112.51(BP est) -52.01(MP est) ----(BP exp) ----(MP exp) O=CC1OC1C -52PredN
OC/C=C/CN1487387.122C4H9NO4-aminobut-2-en-1-olN156OC/C=C/CNInChI=1S/C4H9NO/c5-3-1-2-4-6/h1-2,6H,3-5H2InChIKey=VVBVTZZZFFHHSP-UHFFFAOYSA-N115.5Ex 179.49(BP est) -4.09(MP est) ----(BP exp) ----(MP exp) OC/C=C/CN -4.1PredN
O1COCC=C11487486.09C4H6O24H-1,3-dioxineN126O1COCC=C1InChI=1S/C4H6O2/c1-2-5-4-6-3-1/h1-2H,3-4H2InChIKey=UCZQXJKDCHCTAI-UHFFFAOYSA-N94.0Ex 105.90(BP est) -62.31(MP est) ----(BP exp) ----(MP exp) O1COCC=C1 -62.3PredN
CC1=COCO11487586.09C4H6O24-methyl-1,3-dioxoleN126CC1=COCO1InChI=1S/C4H6O2/c1-4-2-5-3-6-4/h2H,3H2,1H3InChIKey=OHGDYNKEHUBFCC-UHFFFAOYSA-N76.9Ex 101.66(BP est) -55.53(MP est) ----(BP exp) ----(MP exp) CC1=COCO1 -55.5PredN
O1C=NCCC11487685.106C4H7NO5,6-dihydro-4H-1,3-oxazineN136O1C=NCCC1InChI=1S/C4H7NO/c1-2-5-4-6-3-1/h4H,1-3H2InChIKey=YWOIQIYQBRDOQA-UHFFFAOYSA-N124.0Ex 114.66(BP est) -37.27(MP est) ----(BP exp) ----(MP exp) O1C=NCCC1 -37.3PredN
CC1=CN=CN11487782.106C4H6N25-methyl-1H-imidazoleN126CC1=CN=CN1InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)InChIKey=XLSZMDLNRCVEIJ-UHFFFAOYSA-N159.0Ex 257.60(BP est) 35.54(MP est) 263.00(BP exp) 56.00(MP exp) CC1=CN=CN1 56ExptY(Gu et al. 2013)
CC1=CN=CO11487883.09C4H5NO5-methyloxazoleN116CC1=CN=CO1InChI=1S/C4H5NO/c1-4-2-5-3-6-4/h2-3H,1H3InChIKey=ZYMHCFYHVYGFMS-UHFFFAOYSA-N88.0Ex 95.78(BP est) -34.38(MP est) ----(BP exp) ----(MP exp) CC1=CN=CO1 -34.4PredN
CCC/C=N/N1487986.138C4H10N2butylidenehydrazineN166CCC/C=N/NInChI=1S/C4H10N2/c1-2-3-4-6-5/h4H,2-3,5H2,1H3InChIKey=VDQKXPPTYHGNGW-UHFFFAOYSA-N150.0Ex 122.17(BP est) -49.96(MP est) ----(BP exp) ----(MP exp) CCC/C=N/N -50PredN
N[C@H]1[C@@H](N)CC11488086.138C4H10N2cyclobutane-1,2-diamineN166N[C@H]1[C@@H](N)CC1InChI=1S/C4H10N2/c5-3-1-2-4(3)6/h3-4H,1-2,5-6H2InChIKey=VHCQWQAYVBRQQC-UHFFFAOYSA-N142.0Ex 148.80(BP est) 5.80(MP est) ----(BP exp) ----(MP exp) N[C@H]1[C@@H](N)CC1 5.8PredN
O=C(OC)NC1488189.094C3H7NO2methyl methylcarbamateN136O=C(OC)NCInChI=1S/C3H7NO2/c1-4-3(5)6-2/h1-2H3,(H,4,5)InChIKey=NYXHSRNBKJIQQG-UHFFFAOYSA-N157.5Ex 99.17(BP est) -55.18(MP est) ----(BP exp) ----(MP exp) O=C(OC)NC -55.2PredN
C/C=C/N(C)C1488285.15C5H11NN,N-dimethylprop-1-en-1-amineN176C/C=C/N(C)CInChI=1S/C5H11N/c1-4-5-6(2)3/h4-5H,1-3H3InChIKey=NXBBFAKHXAMPOM-UHFFFAOYSA-N82.0Ex 78.52(BP est) -83.74(MP est) ----(BP exp) ----(MP exp) C/C=C/N(C)C -83.7PredN
C/C=C/CNC1488385.15C5H11NN-methylbut-2-en-1-amineN176C/C=C/CNCInChI=1S/C5H11N/c1-3-4-5-6-2/h3-4,6H,5H2,1-2H3InChIKey=UUBPFQGETKBNFO-UHFFFAOYSA-N82.0Ex 100.43(BP est) -67.24(MP est) ----(BP exp) ----(MP exp) C/C=C/CNC -67.2PredN
CC(N=C)(C)C1488485.15C5H11NN-tert-butylmethanimineN176CC(N=C)(C)CInChI=1S/C5H11N/c1-5(2,3)6-4/h4H2,1-3H3InChIKey=RSUCYDXEFFBUSN-UHFFFAOYSA-N66.5Ex 47.70(BP est) -104.83(MP est) ----(BP exp) ----(MP exp) CC(N=C)(C)C -104.8PredN
CC1(C)NN11488572.111C3H8N23,3-dimethyldiaziridineN135CC1(C)NN1InChI=1S/C3H8N2/c1-3(2)4-5-3/h4-5H,1-2H3InChIKey=YIOCAJQMPUYWMT-UHFFFAOYSA-N104.5Ex 116.79(BP est) 28.42(MP est) ----(BP exp) ----(MP exp) CC1(C)NN1 28.4PredN
C=CSC#C1488684.136C4H4Sethynyl(vinyl)sulfaneN95C=CSC#CInChI=1S/C4H4S/c1-3-5-4-2/h1,4H,2H2InChIKey=OOCIWXPUPHVPIS-UHFFFAOYSA-N84.0Ex 99.59(BP est) -57.11(MP est) ----(BP exp) ----(MP exp) C=CSC#C -57.1PredN
CC#COC=C1488782.102C5H6O1-(vinyloxy)prop-1-yneN126CC#COC=CInChI=1S/C5H6O/c1-3-5-6-4-2/h4H,2H2,1H3InChIKey=PZNGVDGOACAMOQ-UHFFFAOYSA-N96.0Ex 88.58(BP est) -31.21(MP est) ----(BP exp) ----(MP exp) CC#COC=C -31.2PredN
N#CCF1488859.0434C2H2FN2-fluoroacetonitrileN64N#CCFInChI=1S/C2H2FN/c3-1-2-4/h1H2InChIKey=GNFVFPBRMLIKIM-UHFFFAOYSA-N78.6Ex 74.29(BP est) -82.78(MP est) ----(BP exp) ----(MP exp) N#CCF -82.8PredN
CC(I)(I)I14889407.759C2H3I31,1,1-triiodoethaneN85CC(I)(I)IInChI=1S/C2H3I3/c1-2(3,4)5/h1H3InChIKey=BASDZFQDZBHCAV-UHFFFAOYSA-N248.2Ex 262.45(BP est) 27.66(MP est) ----(BP exp) ----(MP exp) CC(I)(I)I 27.7PredN
ICC(I)I14890407.759C2H3I31,1,2-triiodoethaneN85ICC(I)IInChI=1S/C2H3I3/c3-1-2(4)5/h2H,1H2InChIKey=LSZGWUKFJAIAEM-UHFFFAOYSA-N251.0Ex 269.06(BP est) 20.88(MP est) ----(BP exp) ----(MP exp) ICC(I)I 20.9PredN
IC(I)(I)I14891519.629CI4periodomethaneN55IC(I)(I)IInChI=1S/CI4/c2-1(3,4)5InChIKey=JOHCVVJGGSABQY-UHFFFAOYSA-N318.5Ex 318.61(BP est) 67.45(MP est) ----(BP exp) 171.00(MP exp) IC(I)(I)I 171ExptN
C=C(Cl)C#N1489287.506C3H2ClN2-chloroacrylonitrileN75C=C(Cl)C#NInChI=1S/C3H2ClN/c1-3(4)2-5/h1H2InChIKey=OYUNTGBISCIYPW-UHFFFAOYSA-N88.6Ex 123.69(BP est) -55.92(MP est) 88.50(BP exp) -65.00(MP exp) C=C(Cl)C#N -65ExptN
BrCC(Br)(Br)Br14893345.654C2H2Br41,1,1,2-tetrabromoethaneN86BrCC(Br)(Br)BrInChI=1S/C2H2Br4/c3-1-2(4,5)6/h1H2InChIKey=RVHSTXJKKZWWDQ-UHFFFAOYSA-N250.0Ex 242.64(BP est) 45.60(MP est) ----(BP exp) ----(MP exp) BrCC(Br)(Br)Br 45.6PredN
ICC(I)(I)I14894533.656C2H2I41,1,1,2-tetraiodoethaneN86ICC(I)(I)IInChI=1S/C2H2I4/c3-1-2(4,5)6/h1H2InChIKey=RVVPPRKDPDIWIS-UHFFFAOYSA-N341.3Ex 331.65(BP est) 76.89(MP est) ----(BP exp) ----(MP exp) ICC(I)(I)I 76.9PredN
CCC(I)(I)I14895421.786C3H5I31,1,1-triiodopropaneN116CCC(I)(I)IInChI=1S/C3H5I3/c1-2-3(4,5)6/h2H2,1H3InChIKey=FQUNRZFXDBYRPD-UHFFFAOYSA-N271.1Ex 278.84(BP est) 38.08(MP est) ----(BP exp) ----(MP exp) CCC(I)(I)I 38.1PredN
IC(I)C(I)I14896533.656C2H2I41,1,2,2-tetraiodoethaneN86IC(I)C(I)IInChI=1S/C2H2I4/c3-1(4)2(5)6/h1-2HInChIKey=STEGFDZXEOTZDZ-UHFFFAOYSA-N346.0Ex 329.03(BP est) 50.65(MP est) ----(BP exp) ----(MP exp) IC(I)C(I)I 50.7PredN
OC(Br)(Br)CBr14897282.757C2H3Br3O1,1,2-tribromoethan-1-olN96OC(Br)(Br)CBrInChI=1S/C2H3Br3O/c3-1-2(4,5)6/h6H,1H2InChIKey=NUBMPIKHQPKNNS-UHFFFAOYSA-N94.0Ex 237.47(BP est) 43.92(MP est) ----(BP exp) ----(MP exp) OC(Br)(Br)CBr 43.9PredN
CC(I)C(I)I14898421.786C3H5I31,1,2-triiodopropaneN116CC(I)C(I)IInChI=1S/C3H5I3/c1-2(4)3(5)6/h2-3H,1H3InChIKey=AGHCYFMUJQYCDO-UHFFFAOYSA-N273.4Ex 275.53(BP est) 20.91(MP est) ----(BP exp) ----(MP exp) CC(I)C(I)I 20.9PredN
ICCC(I)I14899421.786C3H5I31,1,3-triiodopropaneN116ICCC(I)IInChI=1S/C3H5I3/c4-2-1-3(5)6/h3H,1-2H2InChIKey=LSUIDHKJTHNYOM-UHFFFAOYSA-N273.9Ex 285.09(BP est) 20.39(MP est) ----(BP exp) ----(MP exp) ICCC(I)I 20.4PredN
CC(C)C(I)I14900309.917C4H8I21,1-diiodo-2-methylpropaneN146CC(C)C(I)IInChI=1S/C4H8I2/c1-3(2)4(5)6/h3-4H,1-2H3InChIKey=ZFDFFXMINGIATN-UHFFFAOYSA-N203.2Ex 209.63(BP est) -21.73(MP est) ----(BP exp) ----(MP exp) CC(C)C(I)I -21.7PredN
CCCC(I)I14901309.917C4H8I21,1-diiodobutaneN146CCCC(I)IInChI=1S/C4H8I2/c1-2-3-4(5)6/h4H,2-3H2,1H3InChIKey=GRRWQYLKXZLILU-UHFFFAOYSA-N203.6Ex 221.21(BP est) -10.85(MP est) ----(BP exp) ----(MP exp) CCCC(I)I -10.9PredN
CC(I)(I)CI14902421.786C3H5I31,2,2-triiodopropaneN116CC(I)(I)CIInChI=1S/C3H5I3/c1-3(5,6)2-4/h2H2,1H3InChIKey=LRPLCMXCEANFFS-UHFFFAOYSA-N271.1Ex 278.84(BP est) 38.08(MP est) ----(BP exp) ----(MP exp) CC(I)(I)CI 38.1PredN
ICC(I)CI14903421.786C3H5I31,2,3-triiodopropaneN116ICC(I)CIInChI=1S/C3H5I3/c4-1-3(6)2-5/h3H,1-2H2InChIKey=WECSFRHVRGBSGG-UHFFFAOYSA-N273.9Ex 285.09(BP est) 20.39(MP est) ----(BP exp) ----(MP exp) ICC(I)CI 20.4PredN
CC(C)(I)CI14904309.917C4H8I21,2-diiodo-2-methylpropaneN146CC(C)(I)CIInChI=1S/C4H8I2/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=MVBAJDXORDXWTB-UHFFFAOYSA-N200.8Ex 213.63(BP est) -4.35(MP est) ----(BP exp) ----(MP exp) CC(C)(I)CI -4.4PredN
CCC(I)CI14905309.917C4H8I21,2-diiodobutaneN146CCC(I)CIInChI=1S/C4H8I2/c1-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=MIAAQPQIWLWRSI-UHFFFAOYSA-N203.6Ex 221.21(BP est) -10.85(MP est) ----(BP exp) ----(MP exp) CCC(I)CI -10.9PredN
CC(CI)CI14906309.917C4H8I21,3-diiodo-2-methylpropaneN146CC(CI)CIInChI=1S/C4H8I2/c1-4(2-5)3-6/h4H,2-3H2,1H3InChIKey=NYJFWRSAFZAQPX-UHFFFAOYSA-N203.6Ex 221.21(BP est) -10.85(MP est) ----(BP exp) ----(MP exp) CC(CI)CI -10.9PredN
CC(I)CCI14907309.917C4H8I21,3-diiodobutaneN146CC(I)CCIInChI=1S/C4H8I2/c1-4(6)2-3-5/h4H,2-3H2,1H3InChIKey=ZFMSVHPAOMPMMF-UHFFFAOYSA-N203.6Ex 221.21(BP est) -10.85(MP est) ----(BP exp) ----(MP exp) CC(I)CCI -10.9PredN
BrC1(C2)CC2C114908147.015C5H7Br1-bromobicyclo[1.1.1]pentaneN136BrC1(C2)CC2C1InChI=1S/C5H7Br/c6-5-1-4(2-5)3-5/h4H,1-3H2InChIKey=XFXJTOJDGTYWDX-UHFFFAOYSA-N96.0Ex 119.01(BP est) -24.06(MP est) ----(BP exp) ----(MP exp) BrC1(C2)CC2C1 -24.1PredN
C=C1C(C)(Cl)C114909102.561C5H7Cl1-chloro-1-methyl-2-methylenecyclopropaneN136C=C1C(C)(Cl)C1InChI=1S/C5H7Cl/c1-4-3-5(4,2)6/h1,3H2,2H3InChIKey=PGHVOFXIYNIMTC-UHFFFAOYSA-N77.5Ex 71.08(BP est) -56.88(MP est) ----(BP exp) ----(MP exp) C=C1C(C)(Cl)C1 -56.9PredN
O=C=NCCCl14910105.521C3H4ClNO1-chloro-2-isocyanatoethaneN106O=C=NCCClInChI=1S/C3H4ClNO/c4-1-2-5-3-6/h1-2H2InChIKey=BCMYXYHEMGPZJN-UHFFFAOYSA-N135.0Ex 131.71(BP est) -30.73(MP est) ----(BP exp) ----(MP exp) O=C=NCCCl -30.7PredN
CC(C)=C=CCl14911102.561C5H7Cl1-chloro-3-methylbuta-1,2-dieneN136CC(C)=C=CClInChI=1S/C5H7Cl/c1-5(2)3-4-6/h4H,1-2H3InChIKey=OCMMZOAPLARUFV-UHFFFAOYSA-N101.5Ex 86.77(BP est) -86.33(MP est) ----(BP exp) ----(MP exp) CC(C)=C=CCl -86.3PredN
N#CC(F)(F)F1491295.0242C2F3N2,2,2-trifluoroacetonitrileN66N#CC(F)(F)FInChI=1S/C2F3N/c3-2(4,5)1-6InChIKey=SFFUEHODRAXXIA-UHFFFAOYSA-N-66.4Ex 53.93(BP est) -86.92(MP est) -68.80(BP exp) ----(MP exp) N#CC(F)(F)F -86.9PredN
N#CC(Br)(Br)F14913216.835C2Br2FN2,2-dibromo-2-fluoroacetonitrileN66N#CC(Br)(Br)FInChI=1S/C2Br2FN/c3-2(4,5)1-6InChIKey=JFEAQFSERNFDSJ-UHFFFAOYSA-N90.8Ex 197.68(BP est) 14.25(MP est) ----(BP exp) ----(MP exp) N#CC(Br)(Br)F 14.3PredN
CC(I)(I)CC14914309.917C4H8I22,2-diiodobutaneN146CC(I)(I)CCInChI=1S/C4H8I2/c1-3-4(2,5)6/h3H2,1-2H3InChIKey=LGXRSMGEDJRTSC-UHFFFAOYSA-N200.8Ex 213.63(BP est) -4.35(MP est) ----(BP exp) ----(MP exp) CC(I)(I)CC -4.4PredN
N#CC(Br)CBr14915212.872C3H3Br2N2,3-dibromopropanenitrileN96N#CC(Br)CBrInChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2InChIKey=ARRIEYYNOLTVTE-UHFFFAOYSA-N173.0Ex 222.90(BP est) 18.25(MP est) ----(BP exp) ----(MP exp) N#CC(Br)CBr 18.3PredN
N#C/C(Cl)=C\Cl14916121.948C3HCl2N2,3-dichloroacrylonitrileN76N#C/C(Cl)=C\ClInChI=1S/C3HCl2N/c4-1-3(5)2-6/h1HInChIKey=NDWDVOQVCRKCDJ-UHFFFAOYSA-N130.0Ex 165.60(BP est) -30.38(MP est) ----(BP exp) ----(MP exp) N#C/C(Cl)=C\Cl -30.4PredN
CC(I)C(I)C14917309.917C4H8I22,3-diiodobutaneN146CC(I)C(I)CInChI=1S/C4H8I2/c1-3(5)4(2)6/h3-4H,1-2H3InChIKey=OIQCMCUFGWKBBV-UHFFFAOYSA-N203.2Ex 209.63(BP est) -21.73(MP est) ----(BP exp) ----(MP exp) CC(I)C(I)C -21.7PredN
CC(C)(Br)C#N14918148.003C4H6BrN2-bromo-2-methylpropanenitrileN126CC(C)(Br)C#NInChI=1S/C4H6BrN/c1-4(2,5)3-6/h1-2H3InChIKey=XDSDCTDECRVDTB-UHFFFAOYSA-N138.0Ex 170.05(BP est) -12.74(MP est) ----(BP exp) ----(MP exp) CC(C)(Br)C#N -12.7PredN
BrC1=CC=CO114919146.971C4H3BrO2-bromofuranN96BrC1=CC=CO1InChI=1S/C4H3BrO/c5-4-2-1-3-6-4/h1-3HInChIKey=OYMCMWPHMPODNK-UHFFFAOYSA-N101.5Ex 123.63(BP est) -32.12(MP est) ----(BP exp) ----(MP exp) BrC1=CC=CO1 -32.1PredN
OCC(O)CCl14920110.537C3H7ClO23-chloropropane-1,2-diolN136OCC(O)CClInChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2InChIKey=SSZWWUDQMAHNAQ-UHFFFAOYSA-N213.0Ex 210.44(BP est) -1.91(MP est) ----(BP exp) ----(MP exp) OCC(O)CCl -1.9PredN
ClC1=CSC=C114921118.578C4H3ClS3-chlorothiopheneN96ClC1=CSC=C1InChI=1S/C4H3ClS/c5-4-1-2-6-3-4/h1-3HInChIKey=QUBJDMPBDURTJT-UHFFFAOYSA-N138.3Ex 150.61(BP est) -13.75(MP est) ----(BP exp) ----(MP exp) ClC1=CSC=C1 -13.8PredN
OC/C(C)=C/I14922198.003C4H7IO3-iodo-2-methylprop-2-en-1-olN136OC/C(C)=C/IInChI=1S/C4H7IO/c1-4(2-5)3-6/h2,6H,3H2,1H3InChIKey=GGCHQVLKOFTLDN-UHFFFAOYSA-N95.0Ex 215.10(BP est) -13.27(MP est) ----(BP exp) ----(MP exp) OC/C(C)=C/I -13.3PredN
C=C=C(C)CCl14923102.561C5H7Cl4-chloro-3-methylbuta-1,2-dieneN136C=C=C(C)CClInChI=1S/C5H7Cl/c1-3-5(2)4-6/h1,4H2,2H3InChIKey=BGDIIQHCPUSXMC-UHFFFAOYSA-N106.5Ex 106.00(BP est) -79.05(MP est) ----(BP exp) ----(MP exp) C=C=C(C)CCl -79.1PredN
N#CCCCCl14924103.549C4H6ClN4-chlorobutanenitrileN126N#CCCCClInChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2InChIKey=ZFCFBWSVQWGOJJ-UHFFFAOYSA-N196.8Ex 179.21(BP est) -26.22(MP est) 192.00(BP exp) ----(MP exp) N#CCCCCl -26.2PredN
N#CCCCF1492587.0974C4H6FN4-fluorobutanenitrileN126N#CCCCFInChI=1S/C4H6FN/c5-3-1-2-4-6/h1-3H2InChIKey=FJJJJRAPZCRYGA-UHFFFAOYSA-N158.7Ex 122.43(BP est) -57.46(MP est) ----(BP exp) ----(MP exp) N#CCCCF -57.5PredN
ClC1=NC=NS114926120.554C2HClN2S5-chloro-1,2,4-thiadiazoleN76ClC1=NC=NS1InChI=1S/C2HClN2S/c3-2-4-1-5-6-2/h1HInChIKey=RZKVGQCJNANFDR-UHFFFAOYSA-N122.3Ex 170.87(BP est) 19.27(MP est) ----(BP exp) ----(MP exp) ClC1=NC=NS1 19.3PredN
ICCCCI14927309.917C4H8I21,4-diiodobutaneN146ICCCCIInChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2InChIKey=ROUYUBHVBIKMQO-UHFFFAOYSA-N203.8Ex 232.45(BP est) -0.07(MP est) ----(BP exp) 5.80(MP exp) ICCCCI 5.8ExptN
IC1=CC=CS114928210.032C4H3IS2-iodothiopheneN96IC1=CC=CS1InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3HInChIKey=ROIMNSWDOJCBFR-UHFFFAOYSA-N181.0Ex 204.99(BP est) 16.20(MP est) 181.00(BP exp) -40.00(MP exp) IC1=CC=CS1 -40ExptN
C=C=CCI14929179.988C4H5I4-iodobuta-1,2-dieneN105C=C=CCIInChI=1S/C4H5I/c1-2-3-4-5/h3H,1,4H2InChIKey=HSTQZOGEDVASKB-UHFFFAOYSA-N130.0Ex 136.12(BP est) -54.84(MP est) ----(BP exp) ----(MP exp) C=C=CCI -54.8PredN
C=C=CCCl1493088.534C4H5Cl4-chlorobuta-1,2-dieneN105C=C=CCClInChI=1S/C4H5Cl/c1-2-3-4-5/h3H,1,4H2InChIKey=FBSZAHKIQXIJJG-UHFFFAOYSA-N87.9Ex 88.46(BP est) -82.83(MP est) 88.00(BP exp) ----(MP exp) C=C=CCCl -82.8PredN
CN(F)F1493567.0388CH3F2NN,N-difluoromethanamineN74CN(F)FInChI=1S/CH3F2N/c1-4(2)3/h1H3InChIKey=KTNJOGGUCNTDHY-UHFFFAOYSA-N-16.0Ex -31.20(BP est) -135.18(MP est) ----(BP exp) ----(MP exp) CN(F)F -135.2PredN
N#CN(F)F1493678.0218CF2N2N,N-difluorocyanamideN55N#CN(F)FInChI=1S/CF2N2/c2-5(3)1-4InChIKey=HFFQLQRGCQEGJG-UHFFFAOYSA-N-61.9Ex 76.03(BP est) -71.38(MP est) ----(BP exp) ----(MP exp) N#CN(F)F -71.4PredN
CCN(F)F1493781.0658C2H5F2NN,N-difluoroethanamineN105CCN(F)FInChI=1S/C2H5F2N/c1-2-5(3)4/h2H2,1H3InChIKey=IAUJKTVVMRFADH-UHFFFAOYSA-N16.8Ex -3.11(BP est) -121.34(MP est) ----(BP exp) ----(MP exp) CCN(F)F -121.3PredN
C/C(C)=N/F1493875.0864C3H6FNN-fluoropropan-2-imineN115C/C(C)=N/FInChI=1S/C3H6FN/c1-3(2)5-4/h1-2H3InChIKey=IJYNPOVYMGOJIZ-UHFFFAOYSA-N40.5Ex 26.86(BP est) -131.74(MP est) ----(BP exp) ----(MP exp) C/C(C)=N/F -131.7PredN
N#CI14942152.922CINcyanic iodideN33N#CIInChI=1S/CIN/c2-1-3InChIKey=WPBXOELOQKLBDF-UHFFFAOYSA-N154.3Ex 158.46(BP est) -35.11(MP est) ----(BP exp) ----(MP exp) N#CI -35.1PredN
N#CSCCl14943107.555C2H2ClNSchloro(thiocyanato)methaneN75N#CSCClInChI=1S/C2H2ClNS/c3-1-5-2-4/h1H2InChIKey=UXUCVNXUWOLPRU-UHFFFAOYSA-N77.0Ex 196.91(BP est) -15.12(MP est) 185.00(BP exp) ----(MP exp) N#CSCCl -15.1PredN
O=C=NCF1494475.0424C2H2FNOfluoro(isocyanato)methaneN75O=C=NCFInChI=1S/C2H2FNO/c3-1-4-2-5/h1H2InChIKey=MNTGJMYQXPAJBT-UHFFFAOYSA-N44.9Ex 44.27(BP est) -76.56(MP est) ----(BP exp) ----(MP exp) O=C=NCF -76.6PredN
CC=[C@]=CCO1494584.118C5H8Openta-2,3-dien-1-olN146CC=[C@]=CCOInChI=1S/C5H8O/c1-2-3-4-5-6/h2,4,6H,5H2,1H3InChIKey=WSSQKJGHZINTET-UHFFFAOYSA-N145.7Ex 145.65(BP est) -46.71(MP est) ----(BP exp) ----(MP exp) CC=[C@]=CCO -46.7PredY(Dembitsky and Maoka 2007)
[H][P]([H])([H])=O1494749.9968H3OPphosphine oxideN52O=PInChI=1S/H3OP/c1-2/h2H3InChIKey=MPQXHAGKBWFSNV-UHFFFAOYSA-N1.9Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) O=P 90.3Pred
C[P]([H])([H])=O1495064.0238CH5OPmethylphosphine oxideN83CP=OInChI=1S/CH5OP/c1-3-2/h3H2,1H3InChIKey=HXZSFRJGDPGVNY-UHFFFAOYSA-N59.4Ex 59.39(BP est) -92.37(MP est) ----(BP exp) ----(MP exp) CP=O -92.4Pred
N[P]([H])([H])=O1495165.0118H4NOPphosphinic amideN73NP=OInChI=1S/H4NOP/c1-3-2/h3H2,(H2,1,2)InChIKey=IARLISDOOLYUNK-UHFFFAOYSA-N65.5Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) NP=O 90.3Pred
C#C[P]([H])([H])=O1495274.0188C2H3OPethynylphosphine oxideN74C#CP=OInChI=1S/C2H3OP/c1-2-4-3/h1H,4H2InChIKey=BHOQIUAEVAFHDZ-UHFFFAOYSA-N93.0Ex 93.03(BP est) -53.43(MP est) ----(BP exp) ----(MP exp) C#CP=O -53.4Pred
C=C[P]([H])([H])=O1495376.0348C2H5OPvinylphosphine oxideN94C=CP=OInChI=1S/C2H5OP/c1-2-4-3/h2H,1,4H2InChIKey=BGUGKYYWOBECPJ-UHFFFAOYSA-N82.6Ex 82.61(BP est) -80.84(MP est) ----(BP exp) ----(MP exp) C=CP=O -80.8Pred
O=CCN1495459.068C2H5NO2-aminoacetaldehydeN94NCC=OInChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2InChIKey=LYIIBVSRGJSHAV-UHFFFAOYSA-N100.7Ex 100.65(BP est) -45.25(MP est) ----(BP exp) ----(MP exp) NCC=O -45.3Pred
CC[P]([H])([H])=O1495578.0508C2H7OPethylphosphine oxideN114CCP=OInChI=1S/C2H7OP/c1-2-4-3/h2,4H2,1H3InChIKey=AZHPCFQBBJISDG-UHFFFAOYSA-N84.5Ex 84.45(BP est) -79.42(MP est) ----(BP exp) ----(MP exp) CCP=O -79.4Pred
O=C(F)C1495662.0434C2H3FOacetyl fluorideN74CC(=O)FInChI=1S/C2H3FO/c1-2(3)4/h1H3InChIKey=JUCMRTZQCZRJDC-UHFFFAOYSA-N20.7Ex 20.95(BP est) -105.88(MP est) 20.80(BP exp) -84.00(MP exp) CC(=O)F -84Expt
C=S1495746.087CH2SmethanethialN42C=SInChI=1S/CH2S/c1-2/h1H2InChIKey=DBTDEFJAFBUGPP-UHFFFAOYSA-N-59.7Ex -59.68(BP est) -143.95(MP est) ----(BP exp) ----(MP exp) C=S -144Pred
FC[P]([H])([H])=O1495882.0142CH4FOP(fluoromethyl)phosphine oxideN84O=PCFInChI=1S/CH4FOP/c2-1-4-3/h1,4H2InChIKey=HNSMUTDXBKABOD-UHFFFAOYSA-N61.9Ex 61.88(BP est) -91.35(MP est) ----(BP exp) ----(MP exp) O=PCF -91.4Pred
O=C(F)CF1495980.0338C2H2F2O2-fluoroacetyl fluorideN75O=C(F)CFInChI=1S/C2H2F2O/c3-1-2(4)5/h1H2InChIKey=LPGXUEOAYSYXNJ-UHFFFAOYSA-N23.6Ex 23.57(BP est) -104.82(MP est) ----(BP exp) ----(MP exp) O=C(F)CF -104.8Pred
C#CC[P]([H])([H])=O1496188.0458C3H5OPprop-2-yn-1-ylphosphine oxideN105C#CCP=OInChI=1S/C3H5OP/c1-2-3-5-4/h1H,3,5H2InChIKey=WNWFUZQSEKGODG-UHFFFAOYSA-N116.9Ex 116.86(BP est) -40.84(MP est) ----(BP exp) ----(MP exp) C#CCP=O -40.8Pred
[O-][N+](=O)CC=O1496289.05C2H3NO32-nitroacetaldehydeN96O=CCN(=O)=OInChI=1S/C2H3NO3/c4-2-1-3(5)6/h2H,1H2InChIKey=NMDSXWUKWSSJHD-UHFFFAOYSA-N150.1Ex 150.11(BP est) -0.63(MP est) ----(BP exp) ----(MP exp) O=CCN(=O)=O -0.6Pred
C=CC[P]([H])([H])=O1496390.0618C3H7OPallylphosphine oxideN125C=CCP=OInChI=1S/C3H7OP/c1-2-3-5-4/h2H,1,3,5H2InChIKey=YSIGMKSIEYPQJB-UHFFFAOYSA-N106.8Ex 106.82(BP est) -68.13(MP est) ----(BP exp) ----(MP exp) C=CCP=O -68.1Pred
FC#C[P]([H])([H])=O1496492.0092C2H2FOP(fluoroethynyl)phosphine oxideN75O=PC#CFInChI=1S/C2H2FOP/c3-1-2-5-4/h5H2InChIKey=YEQRUDPLJVRERF-UHFFFAOYSA-N104.4Ex 104.37(BP est) -20.26(MP est) ----(BP exp) ----(MP exp) O=PC#CF -20.3Pred
CCC[P]([H])([H])=O1496592.0778C3H9OPpropylphosphine oxideN145CCCP=OInChI=1S/C3H9OP/c1-2-3-5-4/h2-3,5H2,1H3InChIKey=DFVANUYVZDJAHN-UHFFFAOYSA-N108.6Ex 108.60(BP est) -66.74(MP est) ----(BP exp) ----(MP exp) CCCP=O -66.7Pred
C=C=S1496658.098C2H2SethenethioneN53C=C=SInChI=1S/C2H2S/c1-2-3/h1H2InChIKey=CWMKZYCJCZVSHO-UHFFFAOYSA-N-40.7Ex -40.67(BP est) -140.63(MP est) ----(BP exp) ----(MP exp) C=C=S -140.6Pred
FC(=C)[P]([H])([H])=O1496794.0252C2H4FOP(1-fluorovinyl)phosphine oxideN95C=C(F)P=OInChI=1S/C2H4FOP/c1-2(3)5-4/h1,5H2InChIKey=ACRQAJBLVYLXBG-UHFFFAOYSA-N78.3Ex 78.27(BP est) -88.79(MP est) ----(BP exp) ----(MP exp) C=C(F)P=O -88.8Pred
FC=C[P]([H])([H])=O1496894.0252C2H4FOP(2-fluorovinyl)phosphine oxideN95O=PC=CFInChI=1S/C2H4FOP/c3-1-2-5-4/h1-2H,5H2InChIKey=BFGMTSRSSLEQMC-UHFFFAOYSA-N94.4Ex 94.36(BP est) -78.77(MP est) ----(BP exp) ----(MP exp) O=PC=CF -78.8Pred
FC(C)[P]([H])([H])=O1496996.0412C2H6FOP(1-fluoroethyl)phosphine oxideN115CC(F)P=OInChI=1S/C2H6FOP/c1-2(3)5-4/h2H,5H2,1H3InChIKey=RPPYETVLABTMJN-UHFFFAOYSA-N71.9Ex 71.91(BP est) -90.29(MP est) ----(BP exp) ----(MP exp) CC(F)P=O -90.3Pred
FCC[P]([H])([H])=O1497096.0412C2H6FOP(2-fluoroethyl)phosphine oxideN115O=PCCFInChI=1S/C2H6FOP/c3-1-2-5-4/h1-2,5H2InChIKey=GPPRNGRHMVUDNN-UHFFFAOYSA-N86.9Ex 86.85(BP est) -78.43(MP est) ----(BP exp) ----(MP exp) O=PCCF -78.4Pred
ClC[P]([H])([H])=O1497298.4658CH4ClOP(chloromethyl)phosphine oxideN84O=PCClInChI=1S/CH4ClOP/c2-1-4-3/h1,4H2InChIKey=AVCYPPTVQFMAGG-UHFFFAOYSA-N124.5Ex 124.47(BP est) -58.41(MP est) ----(BP exp) ----(MP exp) O=PCCl -58.4Pred
FC(F)[P]([H])([H])=O14973100.005CH3F2OP(difluoromethyl)phosphine oxideN85O=PC(F)FInChI=1S/CH3F2OP/c2-1(3)5-4/h1H,5H2InChIKey=FVFNYLZATSOUDF-UHFFFAOYSA-N48.9Ex 48.93(BP est) -102.34(MP est) ----(BP exp) ----(MP exp) O=PC(F)F -102.3Pred
FC(C#C)[P]([H])([H])=O14974106.036C3H4FOP(1-fluoroprop-2-yn-1-yl)phosphine oxideN106C#CC(F)P=OInChI=1S/C3H4FOP/c1-2-3(4)6-5/h1,3H,6H2InChIKey=ZBWPQTQHZMLVGL-UHFFFAOYSA-N104.9Ex 104.94(BP est) -51.52(MP est) ----(BP exp) ----(MP exp) C#CC(F)P=O -51.5Pred
FC#CC[P]([H])([H])=O14975106.036C3H4FOP(3-fluoroprop-2-yn-1-yl)phosphine oxideN106O=PCC#CFInChI=1S/C3H4FOP/c4-2-1-3-6-5/h3,6H2InChIKey=HCXJEOWTENDULJ-UHFFFAOYSA-N127.8Ex 127.78(BP est) -7.79(MP est) ----(BP exp) ----(MP exp) O=PCC#CF -7.8Pred
OC(=O)C[P]([H])([H])=O14976108.033C2H5O3P2-dihydrophosphorylacetic acidN116O=PCC(=O)OInChI=1S/C2H5O3P/c3-2(4)1-6-5/h1,6H2,(H,3,4)InChIKey=GXSOMRMBVNHZBI-UHFFFAOYSA-N217.8Ex 217.80(BP est) 31.04(MP est) ----(BP exp) ----(MP exp) O=PCC(=O)O 31Pred
FC(C=C)[P]([H])([H])=O14977108.052C3H6FOP(1-fluoroallyl)phosphine oxideN126C=CC(F)P=OInChI=1S/C3H6FOP/c1-2-3(4)6-5/h2-3H,1,6H2InChIKey=JUKJKONRNHDQTJ-UHFFFAOYSA-N94.7Ex 94.71(BP est) -78.88(MP est) ----(BP exp) ----(MP exp) C=CC(F)P=O -78.9Pred
FC=CC[P]([H])([H])=O14978108.052C3H6FOP(3-fluoroallyl)phosphine oxideN126O=PCC=CFInChI=1S/C3H6FOP/c4-2-1-3-6-5/h1-2H,3,6H2InChIKey=OJMNWNATMNBQRV-UHFFFAOYSA-N118.1Ex 118.14(BP est) -66.19(MP est) ----(BP exp) ----(MP exp) O=PCC=CF -66.2Pred
O=CC=S1497974.097C2H2OS2-thioxoacetaldehydeN64O=CC=SInChI=1S/C2H2OS/c3-1-2-4/h1-2HInChIKey=GMZLFEZIMUIKJP-UHFFFAOYSA-N40.3Ex 40.31(BP est) -97.58(MP est) ----(BP exp) ----(MP exp) O=CC=S -97.6Pred
ClC#C[P]([H])([H])=O14980108.461C2H2ClOP(chloroethynyl)phosphine oxideN75O=PC#CClInChI=1S/C2H2ClOP/c3-1-2-5-4/h5H2InChIKey=OMVXVBXLCNNUHZ-UHFFFAOYSA-N136.9Ex 136.93(BP est) 3.91(MP est) ----(BP exp) ----(MP exp) O=PC#CCl 3.9Pred
FCCC[P]([H])([H])=O14982110.068C3H8FOP(3-fluoropropyl)phosphine oxideN146O=PCCCFInChI=1S/C3H8FOP/c4-2-1-3-6-5/h1-3,6H2InChIKey=ZGUYEVBAUJANTC-UHFFFAOYSA-N110.9Ex 110.91(BP est) -65.76(MP est) ----(BP exp) ----(MP exp) O=PCCCF -65.8Pred
ClC(=C)[P]([H])([H])=O14983110.477C2H4ClOP(1-chlorovinyl)phosphine oxideN95C=C(Cl)P=OInChI=1S/C2H4ClOP/c1-2(3)5-4/h1,5H2InChIKey=HFZQTTKOZRISGC-UHFFFAOYSA-N112.2Ex 112.19(BP est) -64.22(MP est) ----(BP exp) ----(MP exp) C=C(Cl)P=O -64.2Pred
ClC=C[P]([H])([H])=O14984110.477C2H4ClOP(2-chlorovinyl)phosphine oxideN95O=PC=CClInChI=1S/C2H4ClOP/c3-1-2-5-4/h1-2H,5H2InChIKey=DKWXUTQARXMLPW-UHFFFAOYSA-N127.4Ex 127.44(BP est) -54.45(MP est) ----(BP exp) ----(MP exp) O=PC=CCl -54.5Pred
FC(=CF)[P]([H])([H])=O14985112.016C2H3F2OP(1,2-difluorovinyl)phosphine oxideN96O=PC(F)=CFInChI=1S/C2H3F2OP/c3-1-2(4)6-5/h1H,6H2InChIKey=CQBHQXWCNDUMCC-UHFFFAOYSA-N90.1Ex 90.10(BP est) -86.70(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CF -86.7Pred
FC(F)=C[P]([H])([H])=O14986112.016C2H3F2OP(2,2-difluorovinyl)phosphine oxideN96O=PC=C(F)FInChI=1S/C2H3F2OP/c3-2(4)1-6-5/h1H,6H2InChIKey=HEORCGFNBXQITP-UHFFFAOYSA-N90.1Ex 90.10(BP est) -86.70(MP est) ----(BP exp) ----(MP exp) O=PC=C(F)F -86.7Pred
ClC(C)[P]([H])([H])=O14987112.493C2H6ClOP(1-chloroethyl)phosphine oxideN115CC(Cl)P=OInChI=1S/C2H6ClOP/c1-2(3)5-4/h2H,5H2,1H3InChIKey=VRBSWJXGAYCSNX-UHFFFAOYSA-N121.0Ex 121.03(BP est) -61.28(MP est) ----(BP exp) ----(MP exp) CC(Cl)P=O -61.3Pred
ClCC[P]([H])([H])=O14988112.493C2H6ClOP(2-chloroethyl)phosphine oxideN115O=PCCClInChI=1S/C2H6ClOP/c3-1-2-5-4/h1-2,5H2InChIKey=MAHZBVJHJPWTPH-UHFFFAOYSA-N147.1Ex 147.10(BP est) -46.17(MP est) ----(BP exp) ----(MP exp) O=PCCCl -46.2Pred
FC(C)(F)[P]([H])([H])=O14989114.032C2H5F2OP(1,1-difluoroethyl)phosphine oxideN116CC(F)(F)P=OInChI=1S/C2H5F2OP/c1-2(3,4)6-5/h6H2,1H3InChIKey=VIMLEICABRZAID-UHFFFAOYSA-N64.4Ex 64.39(BP est) -83.48(MP est) ----(BP exp) ----(MP exp) CC(F)(F)P=O -83.5Pred
FC(CF)[P]([H])([H])=O14990114.032C2H5F2OP(1,2-difluoroethyl)phosphine oxideN116O=PC(F)CFInChI=1S/C2H5F2OP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=STRKCOYXYVGHDC-UHFFFAOYSA-N74.4Ex 74.35(BP est) -89.28(MP est) ----(BP exp) ----(MP exp) O=PC(F)CF -89.3Pred
FC(F)C[P]([H])([H])=O14991114.032C2H5F2OP(2,2-difluoroethyl)phosphine oxideN116O=PCC(F)FInChI=1S/C2H5F2OP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=PLVTZBDZYXGDJT-UHFFFAOYSA-N74.4Ex 74.35(BP est) -89.28(MP est) ----(BP exp) ----(MP exp) O=PCC(F)F -89.3Pred
ClC(F)[P]([H])([H])=O14992116.456CH3ClFOP(chlorofluoromethyl)phosphine oxideN85O=PC(F)ClInChI=1S/CH3ClFOP/c2-1(3)5-4/h1H,5H2InChIKey=ARINUOFGBCTLIE-UHFFFAOYSA-N99.7Ex 99.71(BP est) -72.85(MP est) ----(BP exp) ----(MP exp) O=PC(F)Cl -72.9Pred
FC(F)(F)[P]([H])([H])=O14994117.995CH2F3OP(trifluoromethyl)phosphine oxideN86O=PC(F)(F)FInChI=1S/CH2F3OP/c2-1(3,4)6-5/h6H2InChIKey=XVHIIIKLHIPLHQ-UHFFFAOYSA-N41.2Ex 41.17(BP est) -95.60(MP est) ----(BP exp) ----(MP exp) O=PC(F)(F)F -95.6Pred
ClC#CC[P]([H])([H])=O14995122.488C3H4ClOP(3-chloroprop-2-yn-1-yl)phosphine oxideN106O=PCC#CClInChI=1S/C3H4ClOP/c4-2-1-3-6-5/h3,6H2InChIKey=MCRWRXUYMIMYNZ-UHFFFAOYSA-N159.1Ex 159.07(BP est) 16.01(MP est) ----(BP exp) ----(MP exp) O=PCC#CCl 16Pred
ClC(C=C)[P]([H])([H])=O14996124.504C3H6ClOP(1-chloroallyl)phosphine oxideN126C=CC(Cl)P=OInChI=1S/C3H6ClOP/c1-2-3(4)6-5/h2-3H,1,6H2InChIKey=LJENHJSGBWNLOD-UHFFFAOYSA-N142.1Ex 142.13(BP est) -50.37(MP est) ----(BP exp) ----(MP exp) C=CC(Cl)P=O -50.4Pred
ClC=CC[P]([H])([H])=O14998124.504C3H6ClOP(3-chloroallyl)phosphine oxideN126O=PCC=CClInChI=1S/C3H6ClOP/c4-2-1-3-6-5/h1-2H,3,6H2InChIKey=NDFIGLZKWDZTJK-UHFFFAOYSA-N150.0Ex 149.96(BP est) -42.24(MP est) ----(BP exp) ----(MP exp) O=PCC=CCl -42.2Pred
S=CSC1499992.174C2H4S2methyl methanedithioateN84CSC=SInChI=1S/C2H4S2/c1-4-2-3/h2H,1H3InChIKey=MAIYBVDNQKEVTJ-UHFFFAOYSA-N48.9Ex 48.93(BP est) -98.86(MP est) ----(BP exp) ----(MP exp) CSC=S -98.9Pred
ClC(CC)[P]([H])([H])=O15000126.52C3H8ClOP(1-chloropropyl)phosphine oxideN146CCC(Cl)P=OInChI=1S/C3H8ClOP/c1-2-3(4)6-5/h3H,2,6H2,1H3InChIKey=NWUUOVHPRAFWDW-UHFFFAOYSA-N143.8Ex 143.80(BP est) -49.00(MP est) ----(BP exp) ----(MP exp) CCC(Cl)P=O -49Pred
ClC(C)C[P]([H])([H])=O15001126.52C3H8ClOP(2-chloropropyl)phosphine oxideN146CC(Cl)CP=OInChI=1S/C3H8ClOP/c1-3(4)2-6-5/h3H,2,6H2,1H3InChIKey=FDESKYTYBMXIRT-UHFFFAOYSA-N143.8Ex 143.80(BP est) -49.00(MP est) ----(BP exp) ----(MP exp) CC(Cl)CP=O -49Pred
ClCCC[P]([H])([H])=O15002126.52C3H8ClOP(3-chloropropyl)phosphine oxideN146O=PCCCClInChI=1S/C3H8ClOP/c4-2-1-3-6-5/h1-3,6H2InChIKey=HJJRTJIWDWXLJV-UHFFFAOYSA-N168.8Ex 168.83(BP est) -34.19(MP est) ----(BP exp) ----(MP exp) O=PCCCCl -34.2Pred
ClC(=CF)[P]([H])([H])=O15003128.467C2H3ClFOP(1-chloro-2-fluorovinyl)phosphine oxideN96O=PC(Cl)=CFInChI=1S/C2H3ClFOP/c3-2(1-4)6-5/h1H,6H2InChIKey=SJTZDJNDEBCBFC-UHFFFAOYSA-N123.4Ex 123.41(BP est) -62.31(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CF -62.3Pred
FC(=CCl)[P]([H])([H])=O15004128.467C2H3ClFOP(2-chloro-1-fluorovinyl)phosphine oxideN96O=PC(F)=CClInChI=1S/C2H3ClFOP/c3-1-2(4)6-5/h1H,6H2InChIKey=TXIKZTLITUVNPA-UHFFFAOYSA-N123.4Ex 123.41(BP est) -62.31(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CCl -62.3Pred
ClC(F)=C[P]([H])([H])=O15005128.467C2H3ClFOP(2-chloro-2-fluorovinyl)phosphine oxideN96O=PC=C(F)ClInChI=1S/C2H3ClFOP/c3-2(4)1-6-5/h1H,6H2InChIKey=UDBWDECYSCMWPN-UHFFFAOYSA-N123.4Ex 123.41(BP est) -62.31(MP est) ----(BP exp) ----(MP exp) O=PC=C(F)Cl -62.3Pred
ClC(C)(F)[P]([H])([H])=O15007130.483C2H5ClFOP(1-chloro-1-fluoroethyl)phosphine oxideN116CC(F)(Cl)P=OInChI=1S/C2H5ClFOP/c1-2(3,4)6-5/h6H2,1H3InChIKey=JALWSVZCAYRXAT-UHFFFAOYSA-N101.1Ex 101.14(BP est) -58.08(MP est) ----(BP exp) ----(MP exp) CC(F)(Cl)P=O -58.1Pred
ClC(CF)[P]([H])([H])=O15008130.483C2H5ClFOP(1-chloro-2-fluoroethyl)phosphine oxideN116O=PC(Cl)CFInChI=1S/C2H5ClFOP/c3-2(1-4)6-5/h2H,1,6H2InChIKey=JYLQJMMFJGYXGY-UHFFFAOYSA-N123.3Ex 123.29(BP est) -60.33(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CF -60.3Pred
FC(CCl)[P]([H])([H])=O15009130.483C2H5ClFOP(2-chloro-1-fluoroethyl)phosphine oxideN116O=PC(F)CClInChI=1S/C2H5ClFOP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=UTLTUWIVJYUXGI-UHFFFAOYSA-N135.8Ex 135.79(BP est) -56.68(MP est) ----(BP exp) ----(MP exp) O=PC(F)CCl -56.7Pred
ClC(F)C[P]([H])([H])=O15010130.483C2H5ClFOP(2-chloro-2-fluoroethyl)phosphine oxideN116O=PCC(F)ClInChI=1S/C2H5ClFOP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=QQTBBUQHUFHCJM-UHFFFAOYSA-N123.3Ex 123.29(BP est) -60.33(MP est) ----(BP exp) ----(MP exp) O=PCC(F)Cl -60.3Pred
ClC(CCl)[P]([H])([H])=O15011146.935C2H5Cl2OP(1,2-dichloroethyl)phosphine oxideN116O=PC(Cl)CClInChI=1S/C2H5Cl2OP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=KCCKAABAODGJJJ-UHFFFAOYSA-N180.0Ex 179.98(BP est) -29.11(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CCl -29.1Pred
ClC(F)(F)[P]([H])([H])=O15013134.447CH2ClF2OP(chlorodifluoromethyl)phosphine oxideN86O=PC(F)(F)ClInChI=1S/CH2ClF2OP/c2-1(3,4)6-5/h6H2InChIKey=JMIIIUIFAWWONX-UHFFFAOYSA-N79.1Ex 79.13(BP est) -69.85(MP est) ----(BP exp) ----(MP exp) O=PC(F)(F)Cl -69.9Pred
CCC(S)=S15015106.201C3H6S2propanedithioic acidN115CCC(=S)SInChI=1S/C3H6S2/c1-2-3(4)5/h2H2,1H3,(H,4,5)InChIKey=MVCPDOUDYOUTKS-UHFFFAOYSA-N161.4Ex 161.39(BP est) -26.91(MP est) ----(BP exp) ----(MP exp) CCC(=S)S -26.9Pred
BrC[P]([H])([H])=O15016142.92CH4BrOP(bromomethyl)phosphine oxideN84O=PCBrInChI=1S/CH4BrOP/c2-1-4-3/h1,4H2InChIKey=JYKGNOUHXFYOCW-UHFFFAOYSA-N137.3Ex 137.34(BP est) -39.72(MP est) ----(BP exp) ----(MP exp) O=PCBr -39.7Pred
ClC(=CCl)[P]([H])([H])=O15017144.919C2H3Cl2OP(1,2-dichlorovinyl)phosphine oxideN96O=PC(Cl)=CClInChI=1S/C2H3Cl2OP/c3-1-2(4)6-5/h1H,6H2InChIKey=LWEACXSKLACSMS-UHFFFAOYSA-N154.9Ex 154.94(BP est) -38.44(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CCl -38.4Pred
ClC(Cl)=C[P]([H])([H])=O15018144.919C2H3Cl2OP(2,2-dichlorovinyl)phosphine oxideN96O=PC=C(Cl)ClInChI=1S/C2H3Cl2OP/c3-2(4)1-6-5/h1H,6H2InChIKey=AKOLSASOPHTMBY-UHFFFAOYSA-N154.9Ex 154.94(BP est) -38.44(MP est) ----(BP exp) ----(MP exp) O=PC=C(Cl)Cl -38.4Pred
ClC(C)(Cl)[P]([H])([H])=O15019146.935C2H5Cl2OP(1,1-dichloroethyl)phosphine oxideN116CC(Cl)(Cl)P=OInChI=1S/C2H5Cl2OP/c1-2(3,4)6-5/h6H2,1H3InChIKey=DAOZVBNCOAZUFV-UHFFFAOYSA-N135.9Ex 135.88(BP est) -33.28(MP est) ----(BP exp) ----(MP exp) CC(Cl)(Cl)P=O -33.3Pred
ClC(Cl)C[P]([H])([H])=O15021146.935C2H5Cl2OP(2,2-dichloroethyl)phosphine oxideN116O=PCC(Cl)ClInChI=1S/C2H5Cl2OP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=UJDDWBGTBKIPEJ-UHFFFAOYSA-N168.5Ex 168.49(BP est) -32.46(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)Cl -32.5Pred
ClC(F)(Cl)[P]([H])([H])=O15023150.898CH2Cl2FOP(dichlorofluoromethyl)phosphine oxideN86O=PC(F)(Cl)ClInChI=1S/CH2Cl2FOP/c2-1(3,4)6-5/h6H2InChIKey=GCNJHUXVWSQFPB-UHFFFAOYSA-N115.1Ex 115.09(BP est) -44.69(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Cl)Cl -44.7Pred
BrC#C[P]([H])([H])=O15024152.915C2H2BrOP(bromoethynyl)phosphine oxideN75O=PC#CBrInChI=1S/C2H2BrOP/c3-1-2-5-4/h5H2InChIKey=OVGDSKGZUPJAFX-UHFFFAOYSA-N174.9Ex 174.92(BP est) 29.94(MP est) ----(BP exp) ----(MP exp) O=PC#CBr 29.9Pred
BrC(=C)[P]([H])([H])=O15026154.931C2H4BrOP(1-bromovinyl)phosphine oxideN95C=C(Br)P=OInChI=1S/C2H4BrOP/c1-2(3)5-4/h1,5H2InChIKey=VLJYPICSMPZXGX-UHFFFAOYSA-N151.9Ex 151.87(BP est) -37.70(MP est) ----(BP exp) ----(MP exp) C=C(Br)P=O -37.7Pred
BrC=C[P]([H])([H])=O15027154.931C2H4BrOP(2-bromovinyl)phosphine oxideN95O=PC=CBrInChI=1S/C2H4BrOP/c3-1-2-5-4/h1-2H,5H2InChIKey=LTCGIWQTHFVSMT-UHFFFAOYSA-N166.1Ex 166.09(BP est) -28.22(MP est) ----(BP exp) ----(MP exp) O=PC=CBr -28.2Pred
BrC(C)[P]([H])([H])=O15028156.947C2H6BrOP(1-bromoethyl)phosphine oxideN115CC(Br)P=OInChI=1S/C2H6BrOP/c1-2(3)5-4/h2H,5H2,1H3InChIKey=HNHGHHGTGNGZQL-UHFFFAOYSA-N146.2Ex 146.23(BP est) -38.98(MP est) ----(BP exp) ----(MP exp) CC(Br)P=O -39Pred
BrCC[P]([H])([H])=O15029156.947C2H6BrOP(2-bromoethyl)phosphine oxideN115O=PCCBrInChI=1S/C2H6BrOP/c3-1-2-5-4/h1-2,5H2InChIKey=QBAFCIOYIRZJPS-UHFFFAOYSA-N159.5Ex 159.46(BP est) -27.62(MP est) ----(BP exp) ----(MP exp) O=PCCBr -27.6Pred
S=CC=S1503090.158C2H2S2ethanedithialN64S=CC=SInChI=1S/C2H2S2/c3-1-2-4/h1-2HInChIKey=MDDJJTGSROSPKD-UHFFFAOYSA-N-22.0Ex -21.96(BP est) -129.84(MP est) ----(BP exp) ----(MP exp) S=CC=S -129.8Pred
BrC(F)[P]([H])([H])=O15031160.91CH3BrFOP(bromofluoromethyl)phosphine oxideN85O=PC(F)BrInChI=1S/CH3BrFOP/c2-1(3)5-4/h1H,5H2InChIKey=QIVCIYNUDUIVKH-UHFFFAOYSA-N125.8Ex 125.82(BP est) -50.28(MP est) ----(BP exp) ----(MP exp) O=PC(F)Br -50.3Pred
BrC(C#C)[P]([H])([H])=O15033166.942C3H4BrOP(1-bromoprop-2-yn-1-yl)phosphine oxideN106C#CC(Br)P=OInChI=1S/C3H4BrOP/c1-2-3(4)6-5/h1,3H,6H2InChIKey=POBZZAKQLDHANQ-UHFFFAOYSA-N175.4Ex 175.42(BP est) -1.34(MP est) ----(BP exp) ----(MP exp) C#CC(Br)P=O -1.3Pred
BrC#CC[P]([H])([H])=O15034166.942C3H4BrOP(3-bromoprop-2-yn-1-yl)phosphine oxideN106O=PCC#CBrInChI=1S/C3H4BrOP/c4-2-1-3-6-5/h3,6H2InChIKey=PIRDEISFUPQCHK-UHFFFAOYSA-N195.5Ex 195.49(BP est) 25.32(MP est) ----(BP exp) ----(MP exp) O=PCC#CBr 25.3Pred
ClC(Cl)(Cl)[P]([H])([H])=O15035167.35CH2Cl3OP(trichloromethyl)phosphine oxideN86O=PC(Cl)(Cl)ClInChI=1S/CH2Cl3OP/c2-1(3,4)6-5/h6H2InChIKey=BCLBYOPBMLGPRD-UHFFFAOYSA-N149.0Ex 149.04(BP est) -20.11(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)(Cl)Cl -20.1Pred
BrC(C=C)[P]([H])([H])=O15036168.958C3H6BrOP(1-bromoallyl)phosphine oxideN126C=CC(Br)P=OInChI=1S/C3H6BrOP/c1-2-3(4)6-5/h2-3H,1,6H2InChIKey=MLPIMVSZMBREIG-UHFFFAOYSA-N166.4Ex 166.40(BP est) -28.34(MP est) ----(BP exp) ----(MP exp) C=CC(Br)P=O -28.3Pred
BrC(=C)C[P]([H])([H])=O15037168.958C3H6BrOP(2-bromoallyl)phosphine oxideN126C=C(Br)CP=OInChI=1S/C3H6BrOP/c1-3(4)2-6-5/h1-2,6H2InChIKey=LDRQIEUPYKXHBM-UHFFFAOYSA-N173.4Ex 173.41(BP est) -25.77(MP est) ----(BP exp) ----(MP exp) C=C(Br)CP=O -25.8Pred
BrC=CC[P]([H])([H])=O15038168.958C3H6BrOP(3-bromoallyl)phosphine oxideN126O=PCC=CBrInChI=1S/C3H6BrOP/c4-2-1-3-6-5/h1-2H,3,6H2InChIKey=LAHJLOLBOXRFQT-UHFFFAOYSA-N187.0Ex 187.04(BP est) -16.48(MP est) ----(BP exp) ----(MP exp) O=PCC=CBr -16.5Pred
BrC(C)C[P]([H])([H])=O15039170.974C3H8BrOP(2-bromopropyl)phosphine oxideN146CC(Br)CP=OInChI=1S/C3H8BrOP/c1-3(4)2-6-5/h3H,2,6H2,1H3InChIKey=WZVAYCNIBQVUJT-UHFFFAOYSA-N168.0Ex 168.00(BP est) -26.99(MP est) ----(BP exp) ----(MP exp) CC(Br)CP=O -27Pred
BrCCC[P]([H])([H])=O15040170.974C3H8BrOP(3-bromopropyl)phosphine oxideN146O=PCCCBrInChI=1S/C3H8BrOP/c4-2-1-3-6-5/h1-3,6H2InChIKey=JLEORCZWZABVER-UHFFFAOYSA-N180.7Ex 180.68(BP est) -15.79(MP est) ----(BP exp) ----(MP exp) O=PCCCBr -15.8Pred
BrC(=CF)[P]([H])([H])=O15041172.921C2H3BrFOP(1-bromo-2-fluorovinyl)phosphine oxideN96O=PC(Br)=CFInChI=1S/C2H3BrFOP/c3-2(1-4)6-5/h1H,6H2InChIKey=LVJLUGZKIAJVSH-UHFFFAOYSA-N162.3Ex 162.34(BP est) -36.01(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=CF -36Pred
FC(=CBr)[P]([H])([H])=O15042172.921C2H3BrFOP(2-bromo-1-fluorovinyl)phosphine oxideN96O=PC(F)=CBrInChI=1S/C2H3BrFOP/c3-1-2(4)6-5/h1H,6H2InChIKey=ZPRJHAUEBCDSDJ-UHFFFAOYSA-N162.3Ex 162.34(BP est) -36.01(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CBr -36Pred
BrC(F)=C[P]([H])([H])=O15043172.921C2H3BrFOP(2-bromo-2-fluorovinyl)phosphine oxideN96O=PC=C(F)BrInChI=1S/C2H3BrFOP/c3-2(4)1-6-5/h1H,6H2InChIKey=OBMJROJROPGYBS-UHFFFAOYSA-N162.3Ex 162.34(BP est) -36.01(MP est) ----(BP exp) ----(MP exp) O=PC=C(F)Br -36Pred
BrC(C)(F)[P]([H])([H])=O15044174.937C2H5BrFOP(1-bromo-1-fluoroethyl)phosphine oxideN116CC(F)(Br)P=OInChI=1S/C2H5BrFOP/c1-2(3,4)6-5/h6H2,1H3InChIKey=LAXXSELEYVJQBF-UHFFFAOYSA-N139.6Ex 139.56(BP est) -31.93(MP est) ----(BP exp) ----(MP exp) CC(F)(Br)P=O -31.9Pred
BrC(CF)[P]([H])([H])=O15045174.937C2H5BrFOP(1-bromo-2-fluoroethyl)phosphine oxideN116O=PC(Br)CFInChI=1S/C2H5BrFOP/c3-2(1-4)6-5/h2H,1,6H2InChIKey=XDHQODGYWYNTCR-UHFFFAOYSA-N148.4Ex 148.40(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CF -38.1Pred
FC(CBr)[P]([H])([H])=O15046174.937C2H5BrFOP(2-bromo-1-fluoroethyl)phosphine oxideN116O=PC(F)CBrInChI=1S/C2H5BrFOP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=ZUDFTVNBJFHWFJ-UHFFFAOYSA-N148.4Ex 148.40(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) O=PC(F)CBr -38.1Pred
BrC(F)C[P]([H])([H])=O15047174.937C2H5BrFOP(2-bromo-2-fluoroethyl)phosphine oxideN116O=PCC(F)BrInChI=1S/C2H5BrFOP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=AQPUTBWUXSWVTE-UHFFFAOYSA-N148.4Ex 148.40(BP est) -38.05(MP est) ----(BP exp) ----(MP exp) O=PCC(F)Br -38.1Pred
BrC(Cl)[P]([H])([H])=O15049177.362CH3BrClOP(bromochloromethyl)phosphine oxideN85O=PC(Cl)BrInChI=1S/CH3BrClOP/c2-1(3)5-4/h1H,5H2InChIKey=SKQWSBDSCBOKTG-UHFFFAOYSA-N170.8Ex 170.82(BP est) -22.48(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)Br -22.5Pred
BrC(F)(F)[P]([H])([H])=O15050178.901CH2BrF2OP(bromodifluoromethyl)phosphine oxideN86O=PC(F)(F)BrInChI=1S/CH2BrF2OP/c2-1(3,4)6-5/h6H2InChIKey=RQJAAICWERQBKX-UHFFFAOYSA-N118.9Ex 118.90(BP est) -43.30(MP est) ----(BP exp) ----(MP exp) O=PC(F)(F)Br -43.3Pred
BrC(=CCl)[P]([H])([H])=O15051189.373C2H3BrClOP(1-bromo-2-chlorovinyl)phosphine oxideN96O=PC(Br)=CClInChI=1S/C2H3BrClOP/c3-2(1-4)6-5/h1H,6H2InChIKey=CLXISLJRNGIIJY-UHFFFAOYSA-N191.7Ex 191.66(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=CCl -12.8Pred
ClC(=CBr)[P]([H])([H])=O15052189.373C2H3BrClOP(2-bromo-1-chlorovinyl)phosphine oxideN96O=PC(Cl)=CBrInChI=1S/C2H3BrClOP/c3-1-2(4)6-5/h1H,6H2InChIKey=DSBOOBLXUHNITI-UHFFFAOYSA-N191.7Ex 191.66(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CBr -12.8Pred
BrC(Cl)=C[P]([H])([H])=O15053189.373C2H3BrClOP(2-bromo-2-chlorovinyl)phosphine oxideN96O=PC=C(Cl)BrInChI=1S/C2H3BrClOP/c3-2(4)1-6-5/h1H,6H2InChIKey=ZNVXFXVLJOBYOP-UHFFFAOYSA-N191.7Ex 191.66(BP est) -12.78(MP est) ----(BP exp) ----(MP exp) O=PC=C(Cl)Br -12.8Pred
IC[P]([H])([H])=O15055189.92CH4IOP(iodomethyl)phosphine oxideN84O=PCIInChI=1S/CH4IOP/c2-1-4-3/h1,4H2InChIKey=BLEUWEYHNOFEMK-UHFFFAOYSA-N169.4Ex 169.36(BP est) -31.24(MP est) ----(BP exp) ----(MP exp) O=PCI -31.2Pred
BrC(C)(Cl)[P]([H])([H])=O15056191.389C2H5BrClOP(1-bromo-1-chloroethyl)phosphine oxideN116CC(Cl)(Br)P=OInChI=1S/C2H5BrClOP/c1-2(3,4)6-5/h6H2,1H3InChIKey=AGIIZAMOIVQFIN-UHFFFAOYSA-N172.1Ex 172.07(BP est) -7.77(MP est) ----(BP exp) ----(MP exp) CC(Cl)(Br)P=O -7.8Pred
BrC(CCl)[P]([H])([H])=O15057191.389C2H5BrClOP(1-bromo-2-chloroethyl)phosphine oxideN116O=PC(Br)CClInChI=1S/C2H5BrClOP/c3-2(1-4)6-5/h2H,1,6H2InChIKey=KLAYYGGHVLPODI-UHFFFAOYSA-N202.5Ex 202.50(BP est) -7.60(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CCl -7.6Pred
ClC(CBr)[P]([H])([H])=O15058191.389C2H5BrClOP(2-bromo-1-chloroethyl)phosphine oxideN116O=PC(Cl)CBrInChI=1S/C2H5BrClOP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=OVFCOIAAYHAKPI-UHFFFAOYSA-N191.6Ex 191.56(BP est) -10.79(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CBr -10.8Pred
BrC(Cl)C[P]([H])([H])=O15059191.389C2H5BrClOP(2-bromo-2-chloroethyl)phosphine oxideN116O=PCC(Cl)BrInChI=1S/C2H5BrClOP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=HKGSEZXETUGRBD-UHFFFAOYSA-N191.6Ex 191.56(BP est) -10.79(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)Br -10.8Pred
BrC(F)(Cl)[P]([H])([H])=O15060195.352CH2BrClFOP(bromochlorofluoromethyl)phosphine oxideN86O=PC(F)(Cl)BrInChI=1S/CH2BrClFOP/c2-1(3,4)6-5/h6H2InChIKey=AMCAPIXJQYRXMU-UHFFFAOYSA-N152.6Ex 152.63(BP est) -18.78(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Cl)Br -18.8Pred
IC#C[P]([H])([H])=O15061199.915C2H2IOP(iodoethynyl)phosphine oxideN75O=PC#CIInChI=1S/C2H2IOP/c3-1-2-5-4/h5H2InChIKey=PRGLUDOPFLWVRI-UHFFFAOYSA-N204.7Ex 204.67(BP est) 27.12(MP est) ----(BP exp) ----(MP exp) O=PC#CI 27.1Pred
IC(=C)[P]([H])([H])=O15062201.931C2H4IOP(1-iodovinyl)phosphine oxideN95C=C(I)P=OInChI=1S/C2H4IOP/c1-2(3)5-4/h1,5H2InChIKey=VKEXMIBLGZEBRC-UHFFFAOYSA-N183.0Ex 183.04(BP est) -29.47(MP est) ----(BP exp) ----(MP exp) C=C(I)P=O -29.5Pred
IC=C[P]([H])([H])=O15063201.931C2H4IOP(2-iodovinyl)phosphine oxideN95O=PC=CIInChI=1S/C2H4IOP/c3-1-2-5-4/h1-2H,5H2InChIKey=UEGFAQIBGOMCEA-UHFFFAOYSA-N196.4Ex 196.39(BP est) -20.25(MP est) ----(BP exp) ----(MP exp) O=PC=CI -20.3Pred
IC(C)[P]([H])([H])=O15064203.947C2H6IOP(1-iodoethyl)phosphine oxideN115CC(I)P=OInChI=1S/C2H6IOP/c1-2(3)5-4/h2H,5H2,1H3InChIKey=YMFBNMAPJKDDPT-UHFFFAOYSA-N177.7Ex 177.73(BP est) -30.66(MP est) ----(BP exp) ----(MP exp) CC(I)P=O -30.7Pred
ICC[P]([H])([H])=O15065203.947C2H6IOP(2-iodoethyl)phosphine oxideN115O=PCCIInChI=1S/C2H6IOP/c3-1-2-5-4/h1-2,5H2InChIKey=XHYUCUICONNXAT-UHFFFAOYSA-N190.2Ex 190.17(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) O=PCCI -19.5Pred
FC(I)[P]([H])([H])=O15066207.911CH3FIOP(fluoroiodomethyl)phosphine oxideN85O=PC(F)IInChI=1S/CH3FIOP/c2-1(3)5-4/h1H,5H2InChIKey=XGGARHIXSJQZTE-UHFFFAOYSA-N158.5Ex 158.51(BP est) -41.61(MP est) ----(BP exp) ----(MP exp) O=PC(F)I -41.6Pred
BrC(Cl)(Cl)[P]([H])([H])=O15067211.804CH2BrCl2OP(bromodichloromethyl)phosphine oxideN86O=PC(Cl)(Cl)BrInChI=1S/CH2BrCl2OP/c2-1(3,4)6-5/h6H2InChIKey=RHLNONSOXVXCPX-UHFFFAOYSA-N184.4Ex 184.36(BP est) 5.14(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)(Cl)Br 5.1Pred
IC(C#C)[P]([H])([H])=O15068213.942C3H4IOP(1-iodoprop-2-yn-1-yl)phosphine oxideN106C#CC(I)P=OInChI=1S/C3H4IOP/c1-2-3(4)6-5/h1,3H,6H2InChIKey=IYRLXMXKXIVIPQ-UHFFFAOYSA-N205.1Ex 205.14(BP est) 6.46(MP est) ----(BP exp) ----(MP exp) C#CC(I)P=O 6.5Pred
IC#CC[P]([H])([H])=O15069213.942C3H4IOP(3-iodoprop-2-yn-1-yl)phosphine oxideN106O=PCC#CIInChI=1S/C3H4IOP/c4-2-1-3-6-5/h3,6H2InChIKey=NNDSQIXUAITLFZ-UHFFFAOYSA-N223.9Ex 223.91(BP est) 36.39(MP est) ----(BP exp) ----(MP exp) O=PCC#CI 36.4Pred
IC(C=C)[P]([H])([H])=O15070215.958C3H6IOP(1-iodoallyl)phosphine oxideN126C=CC(I)P=OInChI=1S/C3H6IOP/c1-2-3(4)6-5/h2-3H,1,6H2InChIKey=UBOFBUZZWLSOMJ-UHFFFAOYSA-N196.7Ex 196.68(BP est) -20.37(MP est) ----(BP exp) ----(MP exp) C=CC(I)P=O -20.4Pred
IC(=C)C[P]([H])([H])=O15071215.958C3H6IOP(2-iodoallyl)phosphine oxideN126C=C(I)CP=OInChI=1S/C3H6IOP/c1-3(4)2-6-5/h1-2,6H2InChIKey=AAUFCTNVKMFKNZ-UHFFFAOYSA-N203.3Ex 203.25(BP est) -17.93(MP est) ----(BP exp) ----(MP exp) C=C(I)CP=O -17.9Pred
IC=CC[P]([H])([H])=O15072215.958C3H6IOP(3-iodoallyl)phosphine oxideN126O=PCC=CIInChI=1S/C3H6IOP/c4-2-1-3-6-5/h1-2H,3,6H2InChIKey=XGTYDSFCBGFRKL-UHFFFAOYSA-N216.0Ex 216.01(BP est) -8.89(MP est) ----(BP exp) ----(MP exp) O=PCC=CI -8.9Pred
IC(CC)[P]([H])([H])=O15073217.974C3H8IOP(1-iodopropyl)phosphine oxideN146CCC(I)P=OInChI=1S/C3H8IOP/c1-2-3(4)6-5/h3H,2,6H2,1H3InChIKey=CBERYYDLIPPCQA-UHFFFAOYSA-N198.2Ex 198.18(BP est) -19.05(MP est) ----(BP exp) ----(MP exp) CCC(I)P=O -19.1Pred
IC(C)C[P]([H])([H])=O15074217.974C3H8IOP(2-iodopropyl)phosphine oxideN146CC(I)CP=OInChI=1S/C3H8IOP/c1-3(4)2-6-5/h3H,2,6H2,1H3InChIKey=RDECNDPNZRDJRZ-UHFFFAOYSA-N198.2Ex 198.18(BP est) -19.05(MP est) ----(BP exp) ----(MP exp) CC(I)CP=O -19.1Pred
ICCC[P]([H])([H])=O15075217.974C3H8IOP(3-iodopropyl)phosphine oxideN146O=PCCCIInChI=1S/C3H8IOP/c4-2-1-3-6-5/h1-3,6H2InChIKey=UMXRIRAREXZOJK-UHFFFAOYSA-N210.1Ex 210.07(BP est) -8.08(MP est) ----(BP exp) ----(MP exp) O=PCCCI -8.1Pred
FC(=CI)[P]([H])([H])=O15076219.922C2H3FIOP(1-fluoro-2-iodovinyl)phosphine oxideN96O=PC(F)=CIInChI=1S/C2H3FIOP/c3-2(1-4)6-5/h1H,6H2InChIKey=MISUESRJQUEERN-UHFFFAOYSA-N192.9Ex 192.86(BP est) -27.96(MP est) ----(BP exp) ----(MP exp) O=PC(F)=CI -28Pred
IC(=CF)[P]([H])([H])=O15077219.922C2H3FIOP(2-fluoro-1-iodovinyl)phosphine oxideN96O=PC(I)=CFInChI=1S/C2H3FIOP/c3-1-2(4)6-5/h1H,6H2InChIKey=UPMMCMIBBIYJTO-UHFFFAOYSA-N192.9Ex 192.86(BP est) -27.96(MP est) ----(BP exp) ----(MP exp) O=PC(I)=CF -28Pred
FC(I)=C[P]([H])([H])=O15078219.922C2H3FIOP(2-fluoro-2-iodovinyl)phosphine oxideN96O=PC=C(F)IInChI=1S/C2H3FIOP/c3-2(4)1-6-5/h1H,6H2InChIKey=QGDNIXLOENNEKV-UHFFFAOYSA-N192.9Ex 192.86(BP est) -27.96(MP est) ----(BP exp) ----(MP exp) O=PC=C(F)I -28Pred
BrC(Br)[P]([H])([H])=O15079221.816CH3Br2OP(dibromomethyl)phosphine oxideN85O=PC(Br)BrInChI=1S/CH3Br2OP/c2-1(3)5-4/h1H,5H2InChIKey=YXDXCEYOMORSIJ-UHFFFAOYSA-N193.8Ex 193.77(BP est) -0.84(MP est) ----(BP exp) ----(MP exp) O=PC(Br)Br -0.8Pred
FC(C)(I)[P]([H])([H])=O15080221.938C2H5FIOP(1-fluoro-1-iodoethyl)phosphine oxideN116CC(F)(I)P=OInChI=1S/C2H5FIOP/c1-2(3,4)6-5/h6H2,1H3InChIKey=QQDMOUFXJIPJOD-UHFFFAOYSA-N171.5Ex 171.45(BP est) -23.48(MP est) ----(BP exp) ----(MP exp) CC(F)(I)P=O -23.5Pred
FC(CI)[P]([H])([H])=O15081221.938C2H5FIOP(1-fluoro-2-iodoethyl)phosphine oxideN116O=PC(F)CIInChI=1S/C2H5FIOP/c3-2(1-4)6-5/h2H,1,6H2InChIKey=ZXQLFDUJQVEVEF-UHFFFAOYSA-N179.8Ex 179.77(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) O=PC(F)CI -29.8Pred
IC(CF)[P]([H])([H])=O15082221.938C2H5FIOP(2-fluoro-1-iodoethyl)phosphine oxideN116O=PC(I)CFInChI=1S/C2H5FIOP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=NPESMOUZGBCPOZ-UHFFFAOYSA-N179.8Ex 179.77(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) O=PC(I)CF -29.8Pred
FC(I)C[P]([H])([H])=O15083221.938C2H5FIOP(2-fluoro-2-iodoethyl)phosphine oxideN116O=PCC(F)IInChI=1S/C2H5FIOP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=DIYQLJUMYQEMON-UHFFFAOYSA-N179.8Ex 179.77(BP est) -29.77(MP est) ----(BP exp) ----(MP exp) O=PCC(F)I -29.8Pred
ClC(I)[P]([H])([H])=O15084224.362CH3ClIOP(chloroiodomethyl)phosphine oxideN85O=PC(Cl)IInChI=1S/CH3ClIOP/c2-1(3)5-4/h1H,5H2InChIKey=UIZOYDLHZIIWHX-UHFFFAOYSA-N200.8Ex 200.82(BP est) -14.59(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)I -14.6Pred
FC(I)(F)[P]([H])([H])=O15085225.901CH2F2IOP(difluoroiodomethyl)phosphine oxideN86O=PC(F)(F)IInChI=1S/CH2F2IOP/c2-1(3,4)6-5/h6H2InChIKey=MVGJRLGUYYFHQQ-UHFFFAOYSA-N152.0Ex 151.99(BP est) -34.51(MP est) ----(BP exp) ----(MP exp) O=PC(F)(F)I -34.5Pred
BrC(=CBr)[P]([H])([H])=O15086233.827C2H3Br2OP(1,2-dibromovinyl)phosphine oxideN96O=PC(Br)=CBrInChI=1S/C2H3Br2OP/c3-1-2(4)6-5/h1H,6H2InChIKey=SPGAEYZUCPQVOY-UHFFFAOYSA-N225.6Ex 225.63(BP est) 12.08(MP est) ----(BP exp) ----(MP exp) O=PC(Br)=CBr 12.1Pred
BrC(Br)=C[P]([H])([H])=O15087233.827C2H3Br2OP(2,2-dibromovinyl)phosphine oxideN96O=PC=C(Br)BrInChI=1S/C2H3Br2OP/c3-2(4)1-6-5/h1H,6H2InChIKey=URDNSDBWRAYPKQ-UHFFFAOYSA-N225.6Ex 225.63(BP est) 12.08(MP est) ----(BP exp) ----(MP exp) O=PC=C(Br)Br 12.1Pred
BrC(C)(Br)[P]([H])([H])=O15088235.843C2H5Br2OP(1,1-dibromoethyl)phosphine oxideN116CC(Br)(Br)P=OInChI=1S/C2H5Br2OP/c1-2(3,4)6-5/h6H2,1H3InChIKey=AYJKWHBCQYHUDN-UHFFFAOYSA-N205.8Ex 205.80(BP est) 17.02(MP est) ----(BP exp) ----(MP exp) CC(Br)(Br)P=O 17Pred
BrC(CBr)[P]([H])([H])=O15089235.843C2H5Br2OP(1,2-dibromoethyl)phosphine oxideN116O=PC(Br)CBrInChI=1S/C2H5Br2OP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=WVMWSQYTIMYJPU-UHFFFAOYSA-N213.5Ex 213.51(BP est) 10.56(MP est) ----(BP exp) ----(MP exp) O=PC(Br)CBr 10.6Pred
BrC(Br)C[P]([H])([H])=O15090235.843C2H5Br2OP(2,2-dibromoethyl)phosphine oxideN116O=PCC(Br)BrInChI=1S/C2H5Br2OP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=CVWUOTQSVBACRD-UHFFFAOYSA-N213.5Ex 213.51(BP est) 10.56(MP est) ----(BP exp) ----(MP exp) O=PCC(Br)Br 10.6Pred
ClC([P]([H])([H])=O)=CI15091236.373C2H3ClIOP(1-chloro-2-iodovinyl)phosphine oxideN96O=PC(Cl)=CIInChI=1S/C2H3ClIOP/c3-2(1-4)6-5/h1H,6H2InChIKey=VZGQEGIWRCMWAB-UHFFFAOYSA-N220.3Ex 220.34(BP est) -5.28(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)=CI -5.3Pred
IC([P]([H])([H])=O)=CCl15092236.373C2H3ClIOP(2-chloro-1-iodovinyl)phosphine oxideN96O=PC(I)=CClInChI=1S/C2H3ClIOP/c3-1-2(4)6-5/h1H,6H2InChIKey=CHMOCOARUWRJEK-UHFFFAOYSA-N220.3Ex 220.34(BP est) -5.28(MP est) ----(BP exp) ----(MP exp) O=PC(I)=CCl -5.3Pred
ClC(I)=C[P]([H])([H])=O15093236.373C2H3ClIOP(2-chloro-2-iodovinyl)phosphine oxideN96O=PC=C(Cl)IInChI=1S/C2H3ClIOP/c3-2(4)1-6-5/h1H,6H2InChIKey=DBLBIKDJRQGHKA-UHFFFAOYSA-N220.3Ex 220.34(BP est) -5.28(MP est) ----(BP exp) ----(MP exp) O=PC=C(Cl)I -5.3Pred
ClC(C)([P]([H])([H])=O)I15094238.389C2H5ClIOP(1-chloro-1-iodoethyl)phosphine oxideN116CC(Cl)(I)P=OInChI=1S/C2H5ClIOP/c1-2(3,4)6-5/h6H2,1H3InChIKey=XIRJEDCCCBOFLO-UHFFFAOYSA-N202.0Ex 202.00(BP est) 0.10(MP est) ----(BP exp) ----(MP exp) CC(Cl)(I)P=O 0.1Pred
ClC([P]([H])([H])=O)CI15095238.389C2H5ClIOP(1-chloro-2-iodoethyl)phosphine oxideN116O=PC(Cl)CIInChI=1S/C2H5ClIOP/c3-2(1-4)6-5/h2H,1,6H2InChIKey=UVZRKNOIOQOMJA-UHFFFAOYSA-N220.2Ex 220.24(BP est) -3.29(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)CI -3.3Pred
IC([P]([H])([H])=O)CCl15096238.389C2H5ClIOP(2-chloro-1-iodoethyl)phosphine oxideN116O=PC(I)CClInChI=1S/C2H5ClIOP/c3-1-2(4)6-5/h2H,1,6H2InChIKey=NJNYUFUGDKNHJH-UHFFFAOYSA-N230.5Ex 230.46(BP est) -0.30(MP est) ----(BP exp) ----(MP exp) O=PC(I)CCl -0.3Pred
ClC(C[P]([H])([H])=O)I15097238.389C2H5ClIOP(2-chloro-2-iodoethyl)phosphine oxideN116O=PCC(Cl)IInChI=1S/C2H5ClIOP/c3-2(4)1-6-5/h2H,1,6H2InChIKey=MYUADHNYVYLMMZ-UHFFFAOYSA-N220.2Ex 220.24(BP est) -3.29(MP est) ----(BP exp) ----(MP exp) O=PCC(Cl)I -3.3Pred
BrC(F)(Br)[P]([H])([H])=O15098239.806CH2Br2FOP(dibromofluoromethyl)phosphine oxideN86O=PC(F)(Br)BrInChI=1S/CH2Br2FOP/c2-1(3,4)6-5/h6H2InChIKey=UXWCRLZIXFAFDM-UHFFFAOYSA-N187.7Ex 187.71(BP est) 6.39(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Br)Br 6.4Pred
ClC(I)(PO)F15099242.353CH2ClFIOP(chlorofluoroiodomethyl)(hydroxy)phosphaneN86OPC(F)(Cl)IInChI=1S/CH2ClFIOP/c2-1(3,4)6-5/h5-6HInChIKey=WJHWWYONJIAWJJ-UHFFFAOYSA-N216.3Ex 216.27(BP est) 3.65(MP est) ----(BP exp) ----(MP exp) OPC(F)(Cl)I 3.7Pred
BrC(Cl)(Br)[P]([H])([H])=O15100256.258CH2Br2ClOP(dibromochloromethyl)phosphine oxideN86O=PC(Cl)(Br)BrInChI=1S/CH2Br2ClOP/c2-1(3,4)6-5/h6H2InChIKey=WXGDYHWMMAHBSW-UHFFFAOYSA-N217.2Ex 217.20(BP est) 29.67(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)(Br)Br 29.7Pred
ClC(I)(Cl)[P]([H])([H])=O15101258.804CH2Cl2IOP(dichloroiodomethyl)phosphine oxideN86O=PC(Cl)(Cl)IInChI=1S/CH2Cl2IOP/c2-1(3,4)6-5/h6H2InChIKey=PGXAISZCWBMVDB-UHFFFAOYSA-N213.5Ex 213.51(BP est) 12.78(MP est) ----(BP exp) ----(MP exp) O=PC(Cl)(Cl)I 12.8Pred
BrC(I)[P]([H])([H])=O15102268.816CH3BrIOP(bromoiodomethyl)phosphine oxideN85O=PC(Br)IInChI=1S/CH3BrIOP/c2-1(3)5-4/h1H,5H2InChIKey=MGKZNFCPUNXWPG-UHFFFAOYSA-N222.3Ex 222.31(BP est) 6.62(MP est) ----(BP exp) ----(MP exp) O=PC(Br)I 6.6Pred
BrC(F)(I)[P]([H])([H])=O15103286.807CH2BrFIOP(bromofluoroiodomethyl)phosphine oxideN86O=PC(F)(Br)IInChI=1S/CH2BrFIOP/c2-1(3,4)6-5/h6H2InChIKey=QGXXRGUVZCRYCC-UHFFFAOYSA-N216.6Ex 216.64(BP est) 13.97(MP est) ----(BP exp) ----(MP exp) O=PC(F)(Br)I 14Pred
O=S([H])C1510764.102CH4OShydrosulfinylmethaneN73O=S([H])CInChI=1S/CH4OS/c1-3-2/h3H,1H3InChIKey=BOTYRLOGQKSOAE-UHFFFAOYSA-N107.5Ex 107.45(BP est) -53.34(MP est) ----(BP exp) ----(MP exp) O=S([H])C -53.3Pred
N=CSC1510975.129C2H5NSmethyl methanimidothioateN94N=CSCInChI=1S/C2H5NS/c1-4-2-3/h2-3H,1H3InChIKey=GDKUUMRASUNUKI-UHFFFAOYSA-N123.2Ex 123.20(BP est) -42.72(MP est) ----(BP exp) ----(MP exp) N=CSC -42.7Pred
N=CCS1511275.129C2H5NS2-iminoethane-1-thiolN94N=CCSInChI=1S/C2H5NS/c3-1-2-4/h1,3-4H,2H2InChIKey=JTDSXCPZNVERRA-UHFFFAOYSA-N136.9Ex 136.92(BP est) -37.69(MP est) ----(BP exp) ----(MP exp) N=CCS -37.7Pred
N=NS(O)=O1511394.088H2N2O2Sdiazenesulfinic acidN75N=NS(O)=OInChI=1S/H2N2O2S/c1-2-5(3)4/h1H,(H,3,4)InChIKey=SCLPJJXACLLRTC-UHFFFAOYSA-N216.7Ex 614.96(BP est) 266.30(MP est) ----(BP exp) ----(MP exp) N=NS(O)=O 266.3Pred
O=P(O)([H])S1511498.0558H3O2PSphosphonothioic O,S-acidN74O=P(O)([H])SInChI=1S/H3O2PS/c1-3(2)4/h3H,(H2,1,2,4)InChIKey=FUWGSUOSJRCEIV-UHFFFAOYSA-N144.5Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) O=P(O)([H])S 90.3Pred
OC(=O)C=N1511573.051C2H3NO22-iminoacetic acidN85OC(=O)C=NInChI=1S/C2H3NO2/c3-1-2(4)5/h1,3H,(H,4,5)InChIKey=TVMUHOAONWHJBV-UHFFFAOYSA-N193.4Ex 193.38(BP est) 20.06(MP est) ----(BP exp) ----(MP exp) OC(=O)C=N 20.1Pred
OC(=O)C=S1511690.096C2H2O2S2-thioxoacetic acidN75OC(=O)C=SInChI=1S/C2H2O2S/c3-2(4)1-5/h1H,(H,3,4)InChIKey=VUOSIUQEBCTYNN-UHFFFAOYSA-N128.0Ex 127.98(BP est) -12.68(MP est) ----(BP exp) ----(MP exp) OC(=O)C=S -12.7Pred
O=P([H])(S)S15117114.117H3OPS2phosphonodithioic S,S-acidN74O=P([H])(S)SInChI=1S/H3OPS2/c1-2(3)4/h2H,(H2,1,3,4)InChIKey=FLQUDUCNBDGCRI-UHFFFAOYSA-N154.2Ex 480.00(BP est) 90.27(MP est) ----(BP exp) ----(MP exp) O=P([H])(S)S 90.3Pred
N#CNC(=S)S15119118.172C2H2N2S2N-cyano-carbamodithioic acidN86N#CNC(=S)SInChI=1S/C2H2N2S2/c3-1-4-2(5)6/h(H2,4,5,6)InChIKey=FKTUXVQEOXYNMO-UHFFFAOYSA-N256.0Ex 256.03(BP est) 53.91(MP est) ----(BP exp) ----(MP exp) N#CNC(=S)S 53.9Pred
FN(F)F1512271.0022F3NNitrogen trifluorideN44FN(F)FInChI=1S/F3N/c1-4(2)3InChIKey=GVGCUCJTUSOZKP-UHFFFAOYSA-N-129.3Ex 452.40(BP est) 150.67(MP est) ----(BP exp) ----(MP exp) FN(F)F 150.7Pred
[C-]#[O+]1512328.01COCarbon monoxideN22O1=C=1InChI=1S/CO/c1-2InChIKey=UGFAIRIUMAVXCW-UHFFFAOYSA-N-191.5Ex -57.34(BP est) -140.01(MP est) ----(BP exp) ----(MP exp) O1=C=1 -140Pred
[SeH2]1512480.976H2Sehydrogen selenideN31[H][Se][H]InChI=1S/H2Se/h1H2InChIKey=SPVXKVOXSXTJOY-UHFFFAOYSA-N-41.6Ex 483.96(BP est) 194.06(MP est) ----(BP exp) ----(MP exp) [H][Se][H] 194.1Pred
[SeH]C1512595.003CH4SemethaneselenolN62[Se]([H])CInChI=1S/CH4Se/c1-2/h2H,1H3InChIKey=APKHDKJWSHYLEU-UHFFFAOYSA-N43.2Ex 43.24(BP est) -74.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C -74.6Pred
[SeH]C#N15126105.986CHNSeselenocyanic acidN43[Se]([H])C#NInChI=1S/CHNSe/c2-1-3/h3HInChIKey=CRDYSYOERSZTHZ-UHFFFAOYSA-N140.6Ex 140.58(BP est) -13.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])C#N -13.7Pred
O=C=[Se]15127106.97COSecarbon oxide selenideN33O=C=[Se]InChI=1S/COSe/c2-1-3InChIKey=RQZJHKMUYSXABM-UHFFFAOYSA-N-106.5Ex 36.39(BP est) -64.11(MP est) ----(BP exp) ----(MP exp) O=C=[Se] -64.1Pred
CC=[Se]15128107.014C2H4SeethaneselenalN73CC=[Se]InChI=1S/C2H4Se/c1-2-3/h2H,1H3InChIKey=NAUQYHCDQLQSBG-UHFFFAOYSA-N72.7Ex 72.72(BP est) -61.61(MP est) ----(BP exp) ----(MP exp) CC=[Se] -61.6Pred
C1[Se]C115129107.014C2H4SeseleniraneN73C1[Se]C1InChI=1S/C2H4Se/c1-2-3-1/h1-2H2InChIKey=QPPANNFQTKFONY-UHFFFAOYSA-N75.8Ex 75.77(BP est) -54.79(MP est) ----(BP exp) ----(MP exp) C1[Se]C1 -54.8Pred
C[Se]C15130109.03C2H6SedimethylselaneN93C[Se]CInChI=1S/C2H6Se/c1-3-2/h1-2H3InChIKey=RVIXKDRPFPUUOO-UHFFFAOYSA-N40.0Ex 66.53(BP est) -70.34(MP est) 55.00(BP exp) ----(MP exp) C[Se]C -70.3Pred
[SeH]CC15131109.03C2H6SeethaneselenolN93[Se]([H])CCInChI=1S/C2H6Se/c1-2-3/h3H,2H2,1H3InChIKey=HPMPVSNIXAYUGG-UHFFFAOYSA-N53.5Ex 68.86(BP est) -61.47(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC -61.5Pred
[SeH]CF15132112.993CH3FSefluoromethaneselenolN63[Se]([H])CFInChI=1S/CH3FSe/c2-1-3/h3H,1H2InChIKey=OISHNSAPYDXPJU-UHFFFAOYSA-N45.8Ex 45.78(BP est) -73.55(MP est) ----(BP exp) ----(MP exp) [Se]([H])CF -73.6Pred
C=C1[Se]C115133119.025C3H4Se2-methyleneseleniraneN84C=C1[Se]C1InChI=1S/C3H4Se/c1-3-2-4-3/h1-2H2InChIKey=LDCYSTRFGGYAGM-UHFFFAOYSA-N94.2Ex 94.23(BP est) -36.93(MP est) ----(BP exp) ----(MP exp) C=C1[Se]C1 -36.9Pred
C#C[Se]C15134119.025C3H4Seethynyl(methyl)selaneN84C#C[Se]CInChI=1S/C3H4Se/c1-3-4-2/h1H,2H3InChIKey=OBNWRESAJOTXAR-UHFFFAOYSA-N99.8Ex 99.82(BP est) -31.50(MP est) ----(BP exp) ----(MP exp) C#C[Se]C -31.5Pred
[SeH]CC#C15135119.025C3H4Seprop-2-yne-1-selenolN84[Se]([H])CC#CInChI=1S/C3H4Se/c1-2-3-4/h1,4H,3H2InChIKey=CEUGCVLDUVGGHY-UHFFFAOYSA-N102.0Ex 102.04(BP est) -22.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC#C -22.7Pred
N#CC[SeH]15136120.013C2H3NSe2-hydroselenoacetonitrileN74N#CC[Se]([H])InChI=1S/C2H3NSe/c3-1-2-4/h4H,2H2InChIKey=MKDTYPRGQSDIPL-UHFFFAOYSA-N162.6Ex 162.58(BP est) -1.62(MP est) ----(BP exp) ----(MP exp) N#CC[Se]([H]) -1.6Pred
C[Se]C#N15137120.013C2H3NSeselenocyanatomethaneN74C[Se]C#NInChI=1S/C2H3NSe/c1-4-2-3/h1H3InChIKey=XEWPHCLETKKJMQ-UHFFFAOYSA-N160.6Ex 160.58(BP est) -10.38(MP est) ----(BP exp) ----(MP exp) C[Se]C#N -10.4Pred
CC1[Se]C115138121.041C3H6Se2-methylseleniraneN104CC1[Se]C1InChI=1S/C3H6Se/c1-3-2-4-3/h3H,2H2,1H3InChIKey=LUZNSZNAEANKAT-UHFFFAOYSA-N93.2Ex 93.24(BP est) -46.18(MP est) ----(BP exp) ----(MP exp) CC1[Se]C1 -46.2Pred
[SeH]C1CC115139121.041C3H6SecyclopropaneselenolN104[Se]([H])C1CC1InChI=1S/C3H6Se/c4-3-1-2-3/h3-4H,1-2H2InChIKey=BDKGRKUPTLIODF-UHFFFAOYSA-N97.7Ex 97.69(BP est) -38.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC1 -38.5Pred
C[Se]C=C15140121.041C3H6Semethyl(vinyl)selaneN104C[Se]C=CInChI=1S/C3H6Se/c1-3-4-2/h3H,1H2,2H3InChIKey=XYBQIARSTHPRSJ-UHFFFAOYSA-N89.5Ex 89.51(BP est) -58.87(MP est) ----(BP exp) ----(MP exp) C[Se]C=C -58.9Pred
CCC=[Se]15141121.041C3H6SepropaneselenalN104CCC=[Se]InChI=1S/C3H6Se/c1-2-3-4/h3H,2H2,1H3InChIKey=BQPCPSQLGNUVAO-UHFFFAOYSA-N97.3Ex 97.30(BP est) -48.80(MP est) ----(BP exp) ----(MP exp) CCC=[Se] -48.8Pred
[SeH]CC=C15142121.041C3H6Seprop-2-ene-1-selenolN104[Se]([H])CC=CInChI=1S/C3H6Se/c1-2-3-4/h2,4H,1,3H2InChIKey=BDXCVJHDTXJNJX-UHFFFAOYSA-N91.8Ex 91.76(BP est) -50.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C -50Pred
CC(C)=[Se]15143121.041C3H6Sepropane-2-selenoneN104CC(C)=[Se]InChI=1S/C3H6Se/c1-3(2)4/h1-2H3InChIKey=ITGFJNJDXUDMTK-UHFFFAOYSA-N90.7Ex 90.68(BP est) -57.72(MP est) ----(BP exp) ----(MP exp) CC(C)=[Se] -57.7Pred
C1[Se]CC115145121.041C3H6SeselenetaneN104C1[Se]CC1InChI=1S/C3H6Se/c1-2-4-3-1/h1-3H2InChIKey=DXXRZJJTOQMGQF-UHFFFAOYSA-N102.4Ex 102.43(BP est) -43.13(MP est) ----(BP exp) ----(MP exp) C1[Se]CC1 -43.1Pred
[Se]=CNC15146122.029C2H5NSeN-methylmethaneselenoamideN94[Se]=CNCInChI=1S/C2H5NSe/c1-3-2-4/h2H,1H3,(H,3,4)InChIKey=BKCRPBNCSMYLNZ-UHFFFAOYSA-N117.9Ex 117.94(BP est) -22.08(MP est) ----(BP exp) ----(MP exp) [Se]=CNC -22.1Pred
O=CC[SeH]15147123.013C2H4OSe2-hydroselenoacetaldehydeN84O=CC[Se]([H])InChI=1S/C2H4OSe/c3-1-2-4/h1,4H,2H2InChIKey=RDHBZAUURGHVQV-UHFFFAOYSA-N129.8Ex 129.76(BP est) -22.69(MP est) ----(BP exp) ----(MP exp) O=CC[Se]([H]) -22.7Pred
O=C[Se]C15148123.013C2H4OSeSe-methyl methaneselenoateN84O=C[Se]CInChI=1S/C2H4OSe/c1-4-2-3/h2H,1H3InChIKey=JUAUAPBQEVJIOE-UHFFFAOYSA-N127.6Ex 127.64(BP est) -31.50(MP est) ----(BP exp) ----(MP exp) O=C[Se]C -31.5Pred
[Se]=C=[Se]15149169.931CSe2carbon diselenideN33[Se]=C=[Se]InChI=1S/CSe2/c2-1-3InChIKey=JNZSJDBNBJWXMZ-UHFFFAOYSA-N126.0Ex 139.70(BP est) 12.51(MP est) 125.50(BP exp) -45.50(MP exp) [Se]=C=[Se] -45.5Expt
C[Se]CC15150123.057C3H8Seethyl(methyl)selaneN124C[Se]CCInChI=1S/C3H8Se/c1-3-4-2/h3H2,1-2H3InChIKey=NUXAMVPWNYXDMN-UHFFFAOYSA-N86.0Ex 91.33(BP est) -57.46(MP est) ----(BP exp) ----(MP exp) C[Se]CC -57.5Pred
[SeH]CCC15151123.057C3H8Sepropane-1-selenolN124[Se]([H])CCCInChI=1S/C3H8Se/c1-2-3-4/h4H,2-3H2,1H3InChIKey=JGHYOSOIFAGYPT-UHFFFAOYSA-N93.6Ex 93.58(BP est) -48.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC -48.6Pred
[SeH]C(C)C15152123.057C3H8Sepropane-2-selenolN124[Se]([H])C(C)CInChI=1S/C3H8Se/c1-3(2)4/h3-4H,1-2H3InChIKey=JMUIMNCUVZZKPR-UHFFFAOYSA-N78.8Ex 78.78(BP est) -60.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C -60.4Pred
NC[Se]C15153124.045C2H7NSe(methylselanyl)methanamineN114NC[Se]CInChI=1S/C2H7NSe/c1-4-2-3/h2-3H2,1H3InChIKey=NGMOGHGLOALDQK-UHFFFAOYSA-N130.3Ex 130.31(BP est) -10.09(MP est) ----(BP exp) ----(MP exp) NC[Se]C -10.1Pred
[SeH]CCN15154124.045C2H7NSe2-aminoethane-1-selenolN114[Se]([H])CCNInChI=1S/C2H7NSe/c3-1-2-4/h4H,1-3H2InChIKey=KBFHKFAUJGEUJT-UHFFFAOYSA-N132.4Ex 132.42(BP est) -1.29(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCN -1.3Pred
CC[Se]N15155124.045C2H7NSeSe-ethylselenohydroxylamineN114CC[Se]NInChI=1S/C2H7NSe/c1-2-4-3/h2-3H2,1H3InChIKey=LUKIMVWYHBEKTJ-UHFFFAOYSA-N130.3Ex 130.31(BP est) -10.09(MP est) ----(BP exp) ----(MP exp) CC[Se]N -10.1Pred
FC1[Se]C115156125.004C2H3FSe2-fluoroseleniraneN74FC1[Se]C1InChI=1S/C2H3FSe/c3-2-1-4-2/h2H,1H2InChIKey=SKRFCZQQVGNMPQ-UHFFFAOYSA-N71.0Ex 70.96(BP est) -58.02(MP est) ----(BP exp) ----(MP exp) FC1[Se]C1 -58Pred
O=[Se](C)C15157125.029C2H6OSe(methylseleninyl)methaneN104O=[Se](C)CInChI=1S/C2H6OSe/c1-4(2)3/h1-2H3InChIKey=OOYOEHGKYKMRJI-UHFFFAOYSA-N55.5Ex 55.49(BP est) -72.52(MP est) ----(BP exp) ----(MP exp) O=[Se](C)C -72.5Pred
C[Se]CO15158125.029C2H6OSe(methylselanyl)methanolN104C[Se]COInChI=1S/C2H6OSe/c1-4-2-3/h3H,2H2,1H3InChIKey=XVRJWBZVZFBWHC-UHFFFAOYSA-N154.8Ex 154.76(BP est) -14.17(MP est) ----(BP exp) ----(MP exp) C[Se]CO -14.2Pred
[SeH]CCO15159125.029C2H6OSe2-hydroselenoethan-1-olN104[Se]([H])CCOInChI=1S/C2H6OSe/c3-1-2-4/h3-4H,1-2H2InChIKey=OYMYHYJAYQACBR-UHFFFAOYSA-N156.8Ex 156.78(BP est) -5.39(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCO -5.4Pred
COC[SeH]15160125.029C2H6OSemethoxymethaneselenolN104COC[Se]([H])InChI=1S/C2H6OSe/c1-3-2-4/h4H,2H2,1H3InChIKey=BLCFOPVPMVEWHB-UHFFFAOYSA-N94.5Ex 94.52(BP est) -42.87(MP est) ----(BP exp) ----(MP exp) COC[Se]([H]) -42.9Pred
O=[Se](O)C15161127.001CH4O2Semethaneseleninic acidN84O=[Se](O)CInChI=1S/CH4O2Se/c1-4(2)3/h1H3,(H,2,3)InChIKey=UEQANLFPOFICBH-UHFFFAOYSA-N139.3Ex 139.27(BP est) -23.29(MP est) ----(BP exp) ----(MP exp) O=[Se](O)C -23.3Pred
C[Se]CF15162127.02C2H5FSe(fluoromethyl)(methyl)selaneN94C[Se]CFInChI=1S/C2H5FSe/c1-4-2-3/h2H2,1H3InChIKey=KSRTYNMTWYQZIR-UHFFFAOYSA-N69.0Ex 68.99(BP est) -69.32(MP est) ----(BP exp) ----(MP exp) C[Se]CF -69.3Pred
[SeH]C(C)F15163127.02C2H5FSe1-fluoroethane-1-selenolN94[Se]([H])C(C)FInChI=1S/C2H5FSe/c1-2(3)4/h2,4H,1H3InChIKey=VQVJIYAAMJDGDE-UHFFFAOYSA-N56.0Ex 56.03(BP est) -72.42(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)F -72.4Pred
[SeH]CCF15164127.02C2H5FSe2-fluoroethane-1-selenolN94[Se]([H])CCFInChI=1S/C2H5FSe/c3-1-2-4/h4H,1-2H2InChIKey=KUFKUNWKVZQHOC-UHFFFAOYSA-N71.3Ex 71.32(BP est) -60.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCF -60.5Pred
O=[Se](O)O15166128.973H2O3Seselenous acidN64O=[Se](O)OInChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)InChIKey=MCAHWIHFGHIESP-UHFFFAOYSA-N162.7Ex 580.76(BP est) 247.42(MP est) ----(BP exp) 70.00(MP exp) O=[Se](O)O 70Expt
C#C[Se]C#C15167129.02C4H2SediethynylselaneN75C#C[Se]C#CInChI=1S/C4H2Se/c1-3-5-4-2/h1-2HInChIKey=CVGGSRRYPKRIMM-UHFFFAOYSA-N131.5Ex 131.46(BP est) 6.86(MP est) ----(BP exp) ----(MP exp) C#C[Se]C#C 6.9Pred
[SeH]CCl15168129.445CH3ClSechloromethaneselenolN63[Se]([H])CClInChI=1S/CH3ClSe/c2-1-3/h3H,1H2InChIKey=MLCSEUCNAGNZTN-UHFFFAOYSA-N109.8Ex 109.83(BP est) -40.19(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCl -40.2Pred
[SeH]C(F)F15169130.984CH2F2SedifluoromethaneselenolN64[Se]([H])C(F)FInChI=1S/CH2F2Se/c2-1(3)4/h1,4HInChIKey=HUKJTSLAUBGZOP-UHFFFAOYSA-N32.6Ex 32.55(BP est) -84.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)F -84.6Pred
O=C=C=C=[Se]15170130.992C3OSe3-selenoxopropa-1,2-dien-1-oneN55O=C=C=C=[Se]InChI=1S/C3OSe/c4-2-1-3-5InChIKey=GLGNMICRWYKVNL-UHFFFAOYSA-N91.1Ex 91.10(BP est) -30.36(MP est) ----(BP exp) ----(MP exp) O=C=C=C=[Se] -30.4Pred
C#CC1[Se]C115171131.036C4H4Se2-ethynylseleniraneN95C#CC1[Se]C1InChI=1S/C4H4Se/c1-2-4-3-5-4/h1,4H,3H2InChIKey=DDGWFAJZECPKBY-UHFFFAOYSA-N125.2Ex 125.21(BP est) -7.72(MP est) ----(BP exp) ----(MP exp) C#CC1[Se]C1 -7.7Pred
C1=CC=C[Se]115172131.036C4H4SeselenopheneN95C1=CC=C[Se]1InChI=1S/C4H4Se/c1-2-4-5-3-1/h1-4HInChIKey=MABNMNVCOAICNO-UHFFFAOYSA-N104.8Ex 135.89(BP est) -28.73(MP est) ----(BP exp) ----(MP exp) C1=CC=C[Se]1 -28.7Pred
N#CC(=[Se])C15173132.024C3H3NSeethaneselenoyl cyanideN85N#CC(=[Se])CInChI=1S/C3H3NSe/c1-3(5)2-4/h1H3InChIKey=BJNADCHBILMBQE-UHFFFAOYSA-N181.2Ex 181.21(BP est) 1.21(MP est) ----(BP exp) ----(MP exp) N#CC(=[Se])C 1.2Pred
N#CCC=[Se]15174132.024C3H3NSe3-selenoxopropanenitrileN85N#CCC=[Se]InChI=1S/C3H3NSe/c4-2-1-3-5/h3H,1H2InChIKey=XGJWBCBIFVQLGV-UHFFFAOYSA-N186.8Ex 186.83(BP est) 9.83(MP est) ----(BP exp) ----(MP exp) N#CCC=[Se] 9.8Pred
[Se]1C=CC=N115175132.024C3H3NSe1,2-selenazoleN85[Se]1C=CC=N1InChI=1S/C3H3NSe/c1-2-4-5-3-1/h1-3HInChIKey=CZICLKKAVOBWSW-UHFFFAOYSA-N183.6Ex 183.56(BP est) 15.32(MP est) ----(BP exp) ----(MP exp) [Se]1C=CC=N1 15.3Pred
[Se]1C=CN=C115176132.024C3H3NSe1,3-selenazoleN85[Se]1C=CN=C1InChI=1S/C3H3NSe/c1-2-5-3-4-1/h1-3HInChIKey=ODIRBFFBCSTPTO-UHFFFAOYSA-N183.6Ex 183.56(BP est) 15.32(MP est) ----(BP exp) ----(MP exp) [Se]1C=CN=C1 15.3Pred
N#C[Se]C=C15177132.024C3H3NSeselenocyanatoetheneN85N#C[Se]C=CInChI=1S/C3H3NSe/c1-2-5-3-4/h2H,1H2InChIKey=VWOIESVMNHRLFN-UHFFFAOYSA-N180.2Ex 180.20(BP est) 0.10(MP est) ----(BP exp) ----(MP exp) N#C[Se]C=C 0.1Pred
C1=C[Se]N=N115178133.012C2H2N2Se1,2,3-selenadiazoleN75C1=C[Se]N=N1InChI=1S/C2H2N2Se/c1-2-5-4-3-1/h1-2HInChIKey=BUOKUWQCVSZNCF-UHFFFAOYSA-N227.6Ex 227.61(BP est) 45.29(MP est) ----(BP exp) ----(MP exp) C1=C[Se]N=N1 45.3Pred
N1=C[Se]N=C115179133.012C2H2N2Se1,2,4-selenadiazoleN75N1=C[Se]N=C1InChI=1S/C2H2N2Se/c1-3-2-5-4-1/h1-2HInChIKey=OZRPXISMYPFIDD-UHFFFAOYSA-N284.2Ex 284.16(BP est) 67.31(MP est) ----(BP exp) ----(MP exp) N1=C[Se]N=C1 67.3Pred
N1=CC=N[Se]115180133.012C2H2N2Se1,2,5-selenadiazoleN75N1=CC=N[Se]1InChI=1S/C2H2N2Se/c1-2-4-5-3-1/h1-2HInChIKey=RFDSOEPNUMHLGO-UHFFFAOYSA-N284.2Ex 284.16(BP est) 67.31(MP est) ----(BP exp) ----(MP exp) N1=CC=N[Se]1 67.3Pred
C1=NN=C[Se]115181133.012C2H2N2Se1,3,4-selenadiazoleN75C1=NN=C[Se]1InChI=1S/C2H2N2Se/c1-3-4-2-5-1/h1-2HInChIKey=DOGVCTZWMHHXEX-UHFFFAOYSA-N227.6Ex 227.61(BP est) 45.29(MP est) ----(BP exp) ----(MP exp) C1=NN=C[Se]1 45.3Pred
C1[Se]C12CC215182133.052C4H6Se1-selenaspiro[2.2]pentaneN115C1[Se]C12CC2InChI=1S/C4H6Se/c1-2-4(1)3-5-4/h1-3H2InChIKey=RFKBHZTZFLNHQS-UHFFFAOYSA-N113.3Ex 113.33(BP est) -9.88(MP est) ----(BP exp) ----(MP exp) C1[Se]C12CC2 -9.9Pred
[Se]1CCC=C115183133.052C4H6Se2,3-dihydroselenopheneN115[Se]1CCC=C1InChI=1S/C4H6Se/c1-2-4-5-3-1/h1,3H,2,4H2InChIKey=BBBPPGVKRKPIFI-UHFFFAOYSA-N131.0Ex 131.03(BP est) -30.53(MP est) ----(BP exp) ----(MP exp) [Se]1CCC=C1 -30.5Pred
[Se]1CC=CC115184133.052C4H6Se2,5-dihydroselenopheneN115[Se]1CC=CC1InChI=1S/C4H6Se/c1-2-4-5-3-1/h1-2H,3-4H2InChIKey=JRJNBUPZXNWFEF-UHFFFAOYSA-N131.0Ex 131.03(BP est) -30.53(MP est) ----(BP exp) ----(MP exp) [Se]1CC=CC1 -30.5Pred
C=CC1[Se]C115185133.052C4H6Se2-vinylseleniraneN115C=CC1[Se]C1InChI=1S/C4H6Se/c1-2-4-3-5-4/h2,4H,1,3H2InChIKey=UQALJGZLLFHKCF-UHFFFAOYSA-N115.3Ex 115.31(BP est) -34.98(MP est) ----(BP exp) ----(MP exp) C=CC1[Se]C1 -35Pred
C12[Se]C1CC215186133.052C4H6Se5-selenabicyclo[2.1.0]pentaneN115C12[Se]C1CC2InChI=1S/C4H6Se/c1-2-4-3(1)5-4/h3-4H,1-2H2InChIKey=ZODZRHUQDQIPFE-UHFFFAOYSA-N118.9Ex 118.89(BP est) -22.32(MP est) ----(BP exp) ----(MP exp) C12[Se]C1CC2 -22.3Pred
[Se]=CC=CC15187133.052C4H6Sebut-2-eneselenalN115[Se]=CC=CCInChI=1S/C4H6Se/c1-2-3-4-5/h2-4H,1H3InChIKey=ZLHBQFKCLFZYEQ-UHFFFAOYSA-N128.1Ex 128.09(BP est) -36.72(MP est) ----(BP exp) ----(MP exp) [Se]=CC=CC -36.7Pred
CC#CC[SeH]15188133.052C4H6Sebut-2-yne-1-selenolN115CC#CC[Se]([H])InChI=1S/C4H6Se/c1-2-3-4-5/h5H,4H2,1H3InChIKey=ACKICFSIHMJCNY-UHFFFAOYSA-N134.1Ex 134.07(BP est) 21.89(MP est) ----(BP exp) ----(MP exp) CC#CC[Se]([H]) 21.9Pred
[SeH]CCC#C15189133.052C4H6Sebut-3-yne-1-selenolN115[Se]([H])CCC#CInChI=1S/C4H6Se/c1-2-3-4-5/h1,5H,3-4H2InChIKey=YLAPTLUDUCVYMH-UHFFFAOYSA-N125.5Ex 125.53(BP est) -10.17(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC#C -10.2Pred
[SeH]C(C)C#C15190133.052C4H6Sebut-3-yne-2-selenolN115[Se]([H])C(C)C#CInChI=1S/C4H6Se/c1-3-4(2)5/h1,4-5H,2H3InChIKey=KNWQJJPXQVONJK-UHFFFAOYSA-N111.5Ex 111.48(BP est) -21.77(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C#C -21.8Pred
[Se]=CCC=C15191133.052C4H6Sebut-3-eneselenalN115[Se]=CCC=CInChI=1S/C4H6Se/c1-2-3-4-5/h2,4H,1,3H2InChIKey=UATJGGROPMMMLW-UHFFFAOYSA-N119.2Ex 119.24(BP est) -37.64(MP est) ----(BP exp) ----(MP exp) [Se]=CCC=C -37.6Pred
[SeH]C1C=CC115192133.052C4H6Secyclobut-2-ene-1-selenolN115[Se]([H])C1C=CC1InChI=1S/C4H6Se/c5-4-2-1-3-4/h1-2,4-5H,3H2InChIKey=ZUAZBHUZJHFHSD-UHFFFAOYSA-N126.5Ex 126.50(BP est) -25.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=CC1 -25.8Pred
C=C[Se]C=C15193133.052C4H6SedivinylselaneN115C=C[Se]C=CInChI=1S/C4H6Se/c1-3-5-4-2/h3-4H,1-2H2InChIKey=RVENDQGNZKLMCO-UHFFFAOYSA-N111.7Ex 111.71(BP est) -47.64(MP est) ----(BP exp) ----(MP exp) C=C[Se]C=C -47.6Pred
C#C[Se]CC15194133.052C4H6Seethyl(ethynyl)selaneN115C#C[Se]CCInChI=1S/C4H6Se/c1-3-5-4-2/h1H,4H2,2H3InChIKey=CTCNDHOERCKRFX-UHFFFAOYSA-N123.4Ex 123.40(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) C#C[Se]CC -19Pred
CC#C[Se]C15195133.052C4H6Semethyl(prop-1-yn-1-yl)selaneN115CC#C[Se]CInChI=1S/C4H6Se/c1-3-4-5-2/h1-2H3InChIKey=ZHUDQABTIVDBCA-UHFFFAOYSA-N132.0Ex 131.97(BP est) 13.09(MP est) ----(BP exp) ----(MP exp) CC#C[Se]C 13.1Pred
C[Se]CC#C15196133.052C4H6Semethyl(prop-2-yn-1-yl)selaneN115C[Se]CC#CInChI=1S/C4H6Se/c1-3-4-5-2/h1H,4H2,2H3InChIKey=XGDHNWVGVRFBMI-UHFFFAOYSA-N123.4Ex 123.40(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) C[Se]CC#C -19Pred
C=C=C[Se]C15197133.052C4H6Semethyl(propa-1,2-dien-1-yl)selaneN115C=C=C[Se]CInChI=1S/C4H6Se/c1-3-4-5-2/h4H,1H2,2H3InChIKey=ZCHPTRKUDJTVSE-UHFFFAOYSA-N115.3Ex 115.34(BP est) -42.44(MP est) ----(BP exp) ----(MP exp) C=C=C[Se]C -42.4Pred
CN=CC=[Se]15198134.04C3H5NSe2-(methylimino)ethaneselenalN105CN=CC=[Se]InChI=1S/C3H5NSe/c1-4-2-3-5/h2-3H,1H3InChIKey=IDQQSZHIMYZUNB-UHFFFAOYSA-N131.3Ex 131.27(BP est) -40.16(MP est) ----(BP exp) ----(MP exp) CN=CC=[Se] -40.2Pred
N#CC[Se]C15199134.04C3H5NSe2-(methylselanyl)acetonitrileN105N#CC[Se]CInChI=1S/C3H5NSe/c1-5-3-2-4/h3H2,1H3InChIKey=ZSWSSAQGYDSPOM-UHFFFAOYSA-N181.8Ex 181.75(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) N#CC[Se]C 1.4Pred
[SeH]CCC#N15200134.04C3H5NSe3-hydroselenopropanenitrileN105[Se]([H])CCC#NInChI=1S/C3H5NSe/c4-2-1-3-5/h5H,1,3H2InChIKey=LVTGKXDCZNPTQV-UHFFFAOYSA-N183.7Ex 183.67(BP est) 10.18(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC#N 10.2Pred
[Se]1C=NCC115201134.04C3H5NSe4,5-dihydro-1,3-selenazoleN105[Se]1C=NCC1InChI=1S/C3H5NSe/c1-2-5-3-4-1/h3H,1-2H2InChIKey=MVVFUAACPKXXKJ-UHFFFAOYSA-N145.5Ex 145.46(BP est) 3.82(MP est) ----(BP exp) ----(MP exp) [Se]1C=NCC1 3.8Pred
CC[Se]C#N15202134.04C3H5NSeselenocyanatoethaneN105CC[Se]C#NInChI=1S/C3H5NSe/c1-2-5-3-4/h2H2,1H3InChIKey=YIMLWIBPMJBMCO-UHFFFAOYSA-N181.8Ex 181.75(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) CC[Se]C#N 1.4Pred
C1[Se]C=CO115203135.024C3H4OSe1,3-oxaselenoleN95C1[Se]C=CO1InChI=1S/C3H4OSe/c1-2-5-3-4-1/h1-2H,3H2InChIKey=QBZYXDXUGFNYGH-UHFFFAOYSA-N137.2Ex 137.16(BP est) -21.09(MP est) ----(BP exp) ----(MP exp) C1[Se]C=CO1 -21.1Pred
O=CCC=[Se]15204135.024C3H4OSe3-selenoxopropanalN95O=CCC=[Se]InChI=1S/C3H4OSe/c4-2-1-3-5/h2-3H,1H2InChIKey=SHIIIPDIAFEXMC-UHFFFAOYSA-N155.6Ex 155.56(BP est) -10.79(MP est) ----(BP exp) ----(MP exp) O=CCC=[Se] -10.8Pred
O=C1CC[Se]115205135.024C3H4OSeselenetan-2-oneN95O=C1CC[Se]1InChI=1S/C3H4OSe/c4-3-1-2-5-3/h1-2H2InChIKey=UMVRKNHXZNGOSI-UHFFFAOYSA-N166.4Ex 166.35(BP est) 9.64(MP est) ----(BP exp) ----(MP exp) O=C1CC[Se]1 9.6Pred
O=C1C[Se]C115206135.024C3H4OSeselenetan-3-oneN95O=C1C[Se]C1InChI=1S/C3H4OSe/c4-3-1-5-2-3/h1-2H2InChIKey=LHZMUNBNMWZFAO-UHFFFAOYSA-N166.4Ex 166.35(BP est) 9.64(MP est) ----(BP exp) ----(MP exp) O=C1C[Se]C1 9.6Pred
S=C=C=[Se]15207135.042C2SSe2-selenoxoethene-1-thioneN44S=C=C=[Se]InChI=1S/C2SSe/c3-1-2-4InChIKey=OFVCEDPVBVGYJP-UHFFFAOYSA-N72.5Ex 72.52(BP est) -49.03(MP est) ----(BP exp) ----(MP exp) S=C=C=[Se] -49Pred
[SeH]C1(C)CC115208135.068C4H8Se1-methylcyclopropane-1-selenolN135[Se]([H])C1(C)CC1InChI=1S/C4H8Se/c1-4(5)2-3-4/h5H,2-3H2,1H3InChIKey=JBXGVVGNHLPCRG-UHFFFAOYSA-N109.0Ex 108.98(BP est) -17.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C)CC1 -17.6Pred
CC1(C)[Se]C115209135.068C4H8Se2,2-dimethylseleniraneN135CC1(C)[Se]C1InChI=1S/C4H8Se/c1-4(2)3-5-4/h3H2,1-2H3InChIKey=SKRMUKXIDCYMOU-UHFFFAOYSA-N104.6Ex 104.60(BP est) -25.27(MP est) ----(BP exp) ----(MP exp) CC1(C)[Se]C1 -25.3Pred
CC1[Se]C1C15210135.068C4H8Se2,3-dimethylseleniraneN135CC1[Se]C1CInChI=1S/C4H8Se/c1-3-4(2)5-3/h3-4H,1-2H3InChIKey=GZIUQPGMGJWQPV-UHFFFAOYSA-N110.3Ex 110.25(BP est) -37.69(MP est) ----(BP exp) ----(MP exp) CC1[Se]C1C -37.7Pred
CCC1[Se]C115211135.068C4H8Se2-ethylseleniraneN135CCC1[Se]C1InChI=1S/C4H8Se/c1-2-4-3-5-4/h4H,2-3H2,1H3InChIKey=YQRIDRVUZJECCT-UHFFFAOYSA-N117.1Ex 117.06(BP est) -33.58(MP est) ----(BP exp) ----(MP exp) CCC1[Se]C1 -33.6Pred
CC(C)C=[Se]15212135.068C4H8Se2-methylpropaneselenalN135CC(C)C=[Se]InChI=1S/C4H8Se/c1-4(2)3-5/h3-4H,1-2H3InChIKey=QHXHPPIIJNEAQR-UHFFFAOYSA-N106.8Ex 106.82(BP est) -47.89(MP est) ----(BP exp) ----(MP exp) CC(C)C=[Se] -47.9Pred
[SeH]CC(C)=C15213135.068C4H8Se2-methylprop-2-ene-1-selenolN135[Se]([H])CC(C)=CInChI=1S/C4H8Se/c1-4(2)3-5/h5H,1,3H2,2H3InChIKey=YCYOYPICQAVJHW-UHFFFAOYSA-N109.2Ex 109.21(BP est) -46.28(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)=C -46.3Pred
CC1CC[Se]115214135.068C4H8Se2-methylselenetaneN135CC1CC[Se]1InChI=1S/C4H8Se/c1-4-2-3-5-4/h4H,2-3H2,1H3InChIKey=OOUYMQOQCPJHMV-UHFFFAOYSA-N119.2Ex 119.20(BP est) -34.72(MP est) ----(BP exp) ----(MP exp) CC1CC[Se]1 -34.7Pred
CC1C[Se]C115215135.068C4H8Se3-methylselenetaneN135CC1C[Se]C1InChI=1S/C4H8Se/c1-4-2-5-3-4/h4H,2-3H2,1H3InChIKey=ZPFCTTWWODJXOC-UHFFFAOYSA-N119.2Ex 119.20(BP est) -34.72(MP est) ----(BP exp) ----(MP exp) CC1C[Se]C1 -34.7Pred
C[Se]CC=C15216135.068C4H8Seallyl(methyl)selaneN135C[Se]CC=CInChI=1S/C4H8Se/c1-3-4-5-2/h3H,1,4H2,2H3InChIKey=FLYUHVDDRSUKDK-UHFFFAOYSA-N113.5Ex 113.47(BP est) -46.24(MP est) ----(BP exp) ----(MP exp) C[Se]CC=C -46.2Pred
[SeH]CC=CC15217135.068C4H8Sebut-2-ene-1-selenolN135[Se]([H])CC=CCInChI=1S/C4H8Se/c1-2-3-4-5/h2-3,5H,4H2,1H3InChIKey=FGTGVIIARGCVNJ-UHFFFAOYSA-N124.5Ex 124.54(BP est) -36.49(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=CC -36.5Pred
[Se]=C(C)CC15218135.068C4H8Sebutane-2-selenoneN135[Se]=C(C)CCInChI=1S/C4H8Se/c1-3-4(2)5/h3H2,1-2H3InChIKey=XGJADRSOAXBVOO-UHFFFAOYSA-N114.6Ex 114.61(BP est) -45.10(MP est) ----(BP exp) ----(MP exp) [Se]=C(C)CC -45.1Pred
[SeH]CCC=C15219135.068C4H8Sebut-3-ene-1-selenolN135[Se]([H])CCC=CInChI=1S/C4H8Se/c1-2-3-4-5/h2,5H,1,3-4H2InChIKey=HVHMIALWQSUEMK-UHFFFAOYSA-N115.6Ex 115.64(BP est) -37.42(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC=C -37.4Pred
[SeH]C(C)C=C15220135.068C4H8Sebut-3-ene-2-selenolN135[Se]([H])C(C)C=CInChI=1S/C4H8Se/c1-3-4(2)5/h3-5H,1H2,2H3InChIKey=IWNYLNRWGAMUCF-UHFFFAOYSA-N101.4Ex 101.35(BP est) -49.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C=C -49.1Pred
[SeH]C1CCC115222135.068C4H8SecyclobutaneselenolN135[Se]([H])C1CCC1InChI=1S/C4H8Se/c5-4-2-1-3-4/h4-5H,1-3H2InChIKey=MJNKWAWLGLITPK-UHFFFAOYSA-N123.5Ex 123.48(BP est) -27.05(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CCC1 -27.1Pred
C[Se]C1CC115223135.068C4H8Secyclopropyl(methyl)selaneN135C[Se]C1CC1InChI=1S/C4H8Se/c1-5-4-2-3-4/h4H,2-3H2,1H3InChIKey=SPADQYMFHIVPOS-UHFFFAOYSA-N119.2Ex 119.20(BP est) -34.72(MP est) ----(BP exp) ----(MP exp) C[Se]C1CC1 -34.7Pred
[SeH]CC1CC115224135.068C4H8SecyclopropylmethaneselenolN135[Se]([H])CC1CC1InChI=1S/C4H8Se/c5-3-4-1-2-4/h4-5H,1-3H2InChIKey=NZRXOQJCAQKEAI-UHFFFAOYSA-N121.4Ex 121.35(BP est) -25.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1CC1 -25.9Pred
CC[Se]C=C15225135.068C4H8Seethyl(vinyl)selaneN135CC[Se]C=CInChI=1S/C4H8Se/c1-3-5-4-2/h3H,1,4H2,2H3InChIKey=HEHNAPPOVKEQTR-UHFFFAOYSA-N113.5Ex 113.47(BP est) -46.24(MP est) ----(BP exp) ----(MP exp) CC[Se]C=C -46.2Pred
C[Se]C=CC15226135.068C4H8Semethyl(prop-1-en-1-yl)selaneN135C[Se]C=CCInChI=1S/C4H8Se/c1-3-4-5-2/h3-4H,1-2H3InChIKey=UFZNDJYEUNGYSU-UHFFFAOYSA-N122.4Ex 122.41(BP est) -45.29(MP est) ----(BP exp) ----(MP exp) C[Se]C=CC -45.3Pred
C[Se]C(C)=C15227135.068C4H8Semethyl(prop-1-en-2-yl)selaneN135C[Se]C(C)=CInChI=1S/C4H8Se/c1-4(2)5-3/h1H2,2-3H3InChIKey=XPNWZCWOHZSOHX-UHFFFAOYSA-N107.0Ex 107.02(BP est) -55.11(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)=C -55.1Pred
C1CCC[Se]115228135.068C4H8SetetrahydroselenopheneN135C1CCC[Se]1InChI=1S/C4H8Se/c1-2-4-5-3-1/h1-4H2InChIKey=PWBKFOFSZZSKAI-UHFFFAOYSA-N141.4Ex 128.02(BP est) -31.78(MP est) ----(BP exp) ----(MP exp) C1CCC[Se]1 -31.8Pred
C1=NOC[Se]115229136.012C2H3NOSe1,4,2-oxaselenazoleN85C1=NOC[Se]1InChI=1S/C2H3NOSe/c1-3-4-2-5-1/h1H,2H2InChIKey=VNUIBWLKWXKFHR-UHFFFAOYSA-N151.4Ex 151.44(BP est) 13.22(MP est) ----(BP exp) ----(MP exp) C1=NOC[Se]1 13.2Pred
[Se]=CN(C)C15230136.056C3H7NSeN,N-dimethylmethaneselenoamideN125[Se]=CN(C)CInChI=1S/C3H7NSe/c1-4(2)3-5/h3H,1-2H3InChIKey=OATFBSMXEUYXBJ-UHFFFAOYSA-N120.3Ex 120.33(BP est) -25.85(MP est) ----(BP exp) ----(MP exp) [Se]=CN(C)C -25.9Pred
[Se]1CCNC115231136.056C3H7NSe1,3-selenazolidineN125[Se]1CCNC1InChI=1S/C3H7NSe/c1-2-5-3-4-1/h4H,1-3H2InChIKey=IPVORJLWOBDFGD-UHFFFAOYSA-N163.9Ex 163.85(BP est) 25.56(MP est) ----(BP exp) ----(MP exp) [Se]1CCNC1 25.6Pred
NC1C[Se]C115232136.056C3H7NSeselenetan-3-amineN125NC1C[Se]C1InChI=1S/C3H7NSe/c4-3-1-5-2-3/h3H,1-2,4H2InChIKey=XXZQTNFRICXHMB-UHFFFAOYSA-N156.4Ex 156.44(BP est) 12.15(MP est) ----(BP exp) ----(MP exp) NC1C[Se]C1 12.2Pred
[SeH]C(C#C)F15233137.015C3H3FSe1-fluoroprop-2-yne-1-selenolN85[Se]([H])C(C#C)FInChI=1S/C3H3FSe/c1-2-3(4)5/h1,3,5HInChIKey=ANAFCZINAYVXSN-UHFFFAOYSA-N89.8Ex 89.83(BP est) -33.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)F -33.4Pred
[SeH]CC#CF15234137.015C3H3FSe3-fluoroprop-2-yne-1-selenolN85[Se]([H])CC#CFInChI=1S/C3H3FSe/c4-2-1-3-5/h5H,3H2InChIKey=LNBGDIJHKFDMMX-UHFFFAOYSA-N113.2Ex 113.22(BP est) 10.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC#CF 10.5Pred
[SeH]CC(C)=O15235137.04C3H6OSe1-hydroselenopropan-2-oneN115[Se]([H])CC(C)=OInChI=1S/C3H6OSe/c1-3(4)2-5/h5H,2H2,1H3InChIKey=BODHETQCAOSEKR-UHFFFAOYSA-N139.3Ex 139.25(BP est) -10.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)=O -10.3Pred
C[Se]CC=O15236137.04C3H6OSe2-(methylselanyl)acetaldehydeN115C[Se]CC=OInChI=1S/C3H6OSe/c1-5-3-2-4/h2H,3H2,1H3InChIKey=KSVIVTFMTGYNTM-UHFFFAOYSA-N150.2Ex 150.15(BP est) -19.29(MP est) ----(BP exp) ----(MP exp) C[Se]CC=O -19.3Pred
[SeH]C1COC115237137.04C3H6OSeoxetane-3-selenolN115[Se]([H])C1COC1InChI=1S/C3H6OSe/c5-3-1-4-2-3/h3,5H,1-2H2InChIKey=JKNZMJUXQFSFLD-UHFFFAOYSA-N129.7Ex 129.69(BP est) -17.58(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1COC1 -17.6Pred
C[Se]C(C)=O15238137.04C3H6OSeSe-methyl ethaneselenoateN115C[Se]C(C)=OInChI=1S/C3H6OSe/c1-3(4)5-2/h1-2H3InChIKey=UEPSQEHNMNDNRG-UHFFFAOYSA-N137.2Ex 137.17(BP est) -19.11(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)=O -19.1Pred
OC1C[Se]C115239137.04C3H6OSeselenetan-3-olN115OC1C[Se]C1InChI=1S/C3H6OSe/c4-3-1-5-2-3/h3-4H,1-2H2InChIKey=JYUPBZTVUGMHQT-UHFFFAOYSA-N173.0Ex 172.96(BP est) 5.75(MP est) ----(BP exp) ----(MP exp) OC1C[Se]C1 5.8Pred
N=C(C[SeH])N15240137.044C2H6N2Se2-hydroselenoacetimidamideN115N=C(C[Se]([H]))NInChI=1S/C2H6N2Se/c3-2(4)1-5/h5H,1H2,(H3,3,4)InChIKey=WBDVBXVQERUANE-UHFFFAOYSA-N196.8Ex 196.76(BP est) 26.56(MP est) ----(BP exp) ----(MP exp) N=C(C[Se]([H]))N 26.6Pred
C[Se]C(N)=N15241137.044C2H6N2Semethyl carbamimidoselenoateN115C[Se]C(N)=NInChI=1S/C2H6N2Se/c1-5-2(3)4/h1H3,(H3,3,4)InChIKey=DKDDXEOPIVYOIR-UHFFFAOYSA-N194.9Ex 194.90(BP est) 21.65(MP est) ----(BP exp) ----(MP exp) C[Se]C(N)=N 21.7Pred
[SeH]CC(C)C15242137.084C4H10Se2-methylpropane-1-selenolN155[Se]([H])CC(C)CInChI=1S/C4H10Se/c1-4(2)3-5/h4-5H,3H2,1-2H3InChIKey=XLURETVFCDSNNU-UHFFFAOYSA-N103.1Ex 103.14(BP est) -47.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)C -47.7Pred
[SeH]C(C)(C)C15243137.084C4H10Se2-methylpropane-2-selenolN155[Se]([H])C(C)(C)CInChI=1S/C4H10Se/c1-4(2,3)5/h5H,1-3H3InChIKey=COCFKVYRQRSLNC-UHFFFAOYSA-N93.6Ex 93.60(BP est) -41.77(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(C)C -41.8Pred
[SeH]CCCC15244137.084C4H10Sebutane-1-selenolN155[Se]([H])CCCCInChI=1S/C4H10Se/c1-2-3-4-5/h5H,2-4H2,1H3InChIKey=DJJPSSQMPHHRHD-UHFFFAOYSA-N114.0Ex 117.39(BP est) -36.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCC -36Pred
[SeH]C(C)CC15245137.084C4H10Sebutane-2-selenolN155[Se]([H])C(C)CCInChI=1S/C4H10Se/c1-3-4(2)5/h4-5H,3H2,1-2H3InChIKey=YAJVXNMLKUYKLR-UHFFFAOYSA-N103.1Ex 103.14(BP est) -47.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CC -47.7Pred
CC[Se]CC15246137.084C4H10SediethylselaneN155CC[Se]CCInChI=1S/C4H10Se/c1-3-5-4-2/h3-4H2,1-2H3InChIKey=ALCDAWARCQFJBA-UHFFFAOYSA-N107.4Ex 115.23(BP est) -44.85(MP est) ----(BP exp) ----(MP exp) CC[Se]CC -44.9Pred
C[Se]C(C)C15247137.084C4H10Seisopropyl(methyl)selaneN155C[Se]C(C)CInChI=1S/C4H10Se/c1-4(2)5-3/h4H,1-3H3InChIKey=BHNKORGNAFJGSC-UHFFFAOYSA-N100.9Ex 100.93(BP est) -56.52(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)C -56.5Pred
C[Se]CCC15248137.084C4H10Semethyl(propyl)selaneN155C[Se]CCCInChI=1S/C4H10Se/c1-3-4-5-2/h3-4H2,1-2H3InChIKey=QVQZOWFKMSCLSK-UHFFFAOYSA-N114.0Ex 115.23(BP est) -44.85(MP est) ----(BP exp) ----(MP exp) C[Se]CCC -44.9Pred
[SeH]CC(N)=O15249138.028C2H5NOSe2-hydroselenoacetamideN105[Se]([H])CC(N)=OInChI=1S/C2H5NOSe/c3-2(4)1-5/h5H,1H2,(H2,3,4)InChIKey=LRSYBMZNJGPXGC-UHFFFAOYSA-N252.0Ex 251.98(BP est) 71.50(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(N)=O 71.5Pred
CN(C[SeH])C15250138.072C3H9NSe(dimethylamino)methaneselenolN145CN(C[Se]([H]))CInChI=1S/C3H9NSe/c1-4(2)3-5/h5H,3H2,1-2H3InChIKey=JIJCPWDEOGESTB-UHFFFAOYSA-N116.7Ex 116.74(BP est) -25.63(MP est) ----(BP exp) ----(MP exp) CN(C[Se]([H]))C -25.6Pred
[SeH]C(CN)C15251138.072C3H9NSe1-aminopropane-2-selenolN145[Se]([H])C(CN)CInChI=1S/C3H9NSe/c1-3(5)2-4/h3,5H,2,4H2,1H3InChIKey=JUELHOGPBBVZDV-UHFFFAOYSA-N141.4Ex 141.40(BP est) -0.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CN)C -0.5Pred
[SeH]CCNC15252138.072C3H9NSe2-(methylamino)ethane-1-selenolN145[Se]([H])CCNCInChI=1S/C3H9NSe/c1-4-2-3-5/h4-5H,2-3H2,1H3InChIKey=BRRPOMICLQYJCI-UHFFFAOYSA-N137.4Ex 137.36(BP est) -9.51(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCNC -9.5Pred
NCC[Se]C15253138.072C3H9NSe2-(methylselanyl)ethan-1-amineN145NCC[Se]CInChI=1S/C3H9NSe/c1-5-3-2-4/h2-4H2,1H3InChIKey=BXWAZYIUOZTYEL-UHFFFAOYSA-N152.7Ex 152.72(BP est) 2.09(MP est) ----(BP exp) ----(MP exp) NCC[Se]C 2.1Pred
[SeH]CC(N)C15254138.072C3H9NSe2-aminopropane-1-selenolN145[Se]([H])CC(N)CInChI=1S/C3H9NSe/c1-3(4)2-5/h3,5H,2,4H2,1H3InChIKey=OPUITQLAMPRKDN-UHFFFAOYSA-N141.4Ex 141.40(BP est) -0.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(N)C -0.5Pred
[SeH]CCCN15255138.072C3H9NSe3-aminopropane-1-selenolN145[Se]([H])CCCNInChI=1S/C3H9NSe/c4-2-1-3-5/h5H,1-4H2InChIKey=GBWLSWUOPMNOPN-UHFFFAOYSA-N154.7Ex 154.74(BP est) 10.87(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCN 10.9Pred
[SeH]CC(O)=O15256139.012C2H4O2Se2-hydroselenoacetic acidN95[Se]([H])CC(O)=OInChI=1S/C2H4O2Se/c3-2(4)1-5/h5H,1H2,(H,3,4)InChIKey=WMFGOBGSKNCLMW-UHFFFAOYSA-N205.7Ex 205.67(BP est) 32.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(O)=O 32.6Pred
O=[Se](C=C)O15257139.012C2H4O2Seetheneseleninic acidN95O=[Se](C=C)OInChI=1S/C2H4O2Se/c1-2-5(3)4/h2H,1H2,(H,3,4)InChIKey=VGCZZHJFYHDMQA-UHFFFAOYSA-N159.7Ex 159.70(BP est) -12.57(MP est) ----(BP exp) ----(MP exp) O=[Se](C=C)O -12.6Pred
OC([Se]C)=O15258139.012C2H4O2SeSe-methyl O-hydrogen carbonoselenoateN95OC([Se]C)=OInChI=1S/C2H4O2Se/c1-5-2(3)4/h1H3,(H,3,4)InChIKey=SNPXUDSFQWSZHG-UHFFFAOYSA-N203.9Ex 203.85(BP est) 27.71(MP est) ----(BP exp) ----(MP exp) OC([Se]C)=O 27.7Pred
C[Se]C(F)=C15259139.031C3H5FSe(1-fluorovinyl)(methyl)selaneN105C[Se]C(F)=CInChI=1S/C3H5FSe/c1-3(4)5-2/h1H2,2H3InChIKey=PAXXIWRMTYAHPZ-UHFFFAOYSA-N85.2Ex 85.22(BP est) -66.81(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)=C -66.8Pred
C[Se]C=CF15260139.031C3H5FSe(2-fluorovinyl)(methyl)selaneN105C[Se]C=CFInChI=1S/C3H5FSe/c1-5-3-2-4/h2-3H,1H3InChIKey=IMKQFKNVCJMBMU-UHFFFAOYSA-N101.1Ex 101.14(BP est) -56.84(MP est) ----(BP exp) ----(MP exp) C[Se]C=CF -56.8Pred
FC[Se]C=C15261139.031C3H5FSe(fluoromethyl)(vinyl)selaneN105FC[Se]C=CInChI=1S/C3H5FSe/c1-2-5-3-4/h2H,1,3H2InChIKey=SUYRBYVVHRZPAB-UHFFFAOYSA-N91.9Ex 91.89(BP est) -57.88(MP est) ----(BP exp) ----(MP exp) FC[Se]C=C -57.9Pred
[SeH]C1(CC1)F15262139.031C3H5FSe1-fluorocyclopropane-1-selenolN105[Se]([H])C1(CC1)FInChI=1S/C3H5FSe/c4-3(5)1-2-3/h5H,1-2H2InChIKey=VDHHAMMDQAYDDA-UHFFFAOYSA-N87.2Ex 87.24(BP est) -29.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(CC1)F -29.3Pred
[SeH]C(C=C)F15263139.031C3H5FSe1-fluoroprop-2-ene-1-selenolN105[Se]([H])C(C=C)FInChI=1S/C3H5FSe/c1-2-3(4)5/h2-3,5H,1H2InChIKey=KIGWISMNQRWQDN-UHFFFAOYSA-N79.4Ex 79.36(BP est) -60.86(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)F -60.9Pred
C[Se]C1CC=C115264147.079C5H8Secyclobut-2-en-1-yl(methyl)selaneN146C[Se]C1CC=C1InChI=1S/C5H8Se/c1-6-5-3-2-4-5/h2-3,5H,4H2,1H3InChIKey=SUKZJUSGTMUXBU-UHFFFAOYSA-N147.0Ex 147.01(BP est) -22.35(MP est) ----(BP exp) ----(MP exp) C[Se]C1CC=C1 -22.4Pred
[SeH]CC1CC=C115265147.079C5H8Secyclobut-2-en-1-ylmethaneselenolN146[Se]([H])CC1CC=C1InChI=1S/C5H8Se/c6-4-5-2-1-3-5/h1-2,5-6H,3-4H2InChIKey=AOTVRVFZCHHXIA-UHFFFAOYSA-N149.1Ex 149.06(BP est) -13.56(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1CC=C1 -13.6Pred
[SeH]C1CCC=C115266147.079C5H8Secyclopent-2-ene-1-selenolN146[Se]([H])C1CCC=C1InChI=1S/C5H8Se/c6-5-3-1-2-4-5/h1,3,5-6H,2,4H2InChIKey=UPECKYJAAOAYHO-UHFFFAOYSA-N151.1Ex 151.08(BP est) -14.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CCC=C1 -14.7Pred
[SeH]C1CC=CC115267147.079C5H8Secyclopent-3-ene-1-selenolN146[Se]([H])C1CC=CC1InChI=1S/C5H8Se/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2InChIKey=JKCKPZFZHBNWRB-UHFFFAOYSA-N151.1Ex 151.08(BP est) -14.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC=CC1 -14.7Pred
[Se]=C1CCCC115268147.079C5H8SecyclopentaneselenoneN146[Se]=C1CCCC1InChI=1S/C5H8Se/c6-5-3-1-2-4-5/h1-4H2InChIKey=SJMGFGAWBXHGNR-UHFFFAOYSA-N154.1Ex 154.12(BP est) -5.66(MP est) ----(BP exp) ----(MP exp) [Se]=C1CCCC1 -5.7Pred
C=C[Se]C1CC115269147.079C5H8Secyclopropyl(vinyl)selaneN146C=C[Se]C1CC1InChI=1S/C5H8Se/c1-2-6-5-3-4-5/h2,5H,1,3-4H2InChIKey=CXVZNLPZTDGRDN-UHFFFAOYSA-N140.4Ex 140.37(BP est) -23.79(MP est) ----(BP exp) ----(MP exp) C=C[Se]C1CC1 -23.8Pred
CC#C[Se]CC15270147.079C5H8Seethyl(prop-1-yn-1-yl)selaneN146CC#C[Se]CCInChI=1S/C5H8Se/c1-3-5-6-4-2/h4H2,1-2H3InChIKey=FMGIIXAIIQAGAK-UHFFFAOYSA-N154.3Ex 154.31(BP est) 25.24(MP est) ----(BP exp) ----(MP exp) CC#C[Se]CC 25.2Pred
CC[Se]CC#C15271147.079C5H8Seethyl(prop-2-yn-1-yl)selaneN146CC[Se]CC#CInChI=1S/C5H8Se/c1-3-5-6-4-2/h1H,4-5H2,2H3InChIKey=WLKMAUXHNHJDPS-UHFFFAOYSA-N146.1Ex 146.08(BP est) -6.72(MP est) ----(BP exp) ----(MP exp) CC[Se]CC#C -6.7Pred
CC[Se]C=C=C15272147.079C5H8Seethyl(propa-1,2-dien-1-yl)selaneN146CC[Se]C=C=CInChI=1S/C5H8Se/c1-3-5-6-4-2/h5H,1,4H2,2H3InChIKey=APMXRELOKLOUSD-UHFFFAOYSA-N138.3Ex 138.33(BP est) -30.09(MP est) ----(BP exp) ----(MP exp) CC[Se]C=C=C -30.1Pred
[SeH]C(C#C)CC15273147.079C5H8Sepent-1-yne-3-selenolN146[Se]([H])C(C#C)CCInChI=1S/C5H8Se/c1-3-5(6)4-2/h1,5-6H,4H2,2H3InChIKey=SGVHVGLXMQENAR-UHFFFAOYSA-N134.6Ex 134.62(BP est) -9.38(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)CC -9.4Pred
[SeH]CCCC#C15274147.079C5H8Sepent-4-yne-1-selenolN146[Se]([H])CCCC#CInChI=1S/C5H8Se/c1-2-3-4-5-6/h1,6H,3-5H2InChIKey=YGBGRONDMNEOET-UHFFFAOYSA-N148.1Ex 148.13(BP est) 2.06(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCC#C 2.1Pred
[SeH]C(CC#C)C15275147.079C5H8Sepent-4-yne-2-selenolN146[Se]([H])C(CC#C)CInChI=1S/C5H8Se/c1-3-4-5(2)6/h1,5-6H,4H2,2H3InChIKey=ATXVUXNPCOULRK-UHFFFAOYSA-N134.6Ex 134.62(BP est) -9.38(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC#C)C -9.4Pred
[SeH]C(C=C)C=C15276147.079C5H8Sepenta-1,4-diene-3-selenolN146[Se]([H])C(C=C)C=CInChI=1S/C5H8Se/c1-3-5(6)4-2/h3-6H,1-2H2InChIKey=HWOVQVSDMWBDAO-UHFFFAOYSA-N123.2Ex 123.15(BP est) -37.98(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)C=C -38Pred
C=C[Se]C=CC15277147.079C5H8Seprop-1-en-1-yl(vinyl)selaneN146C=C[Se]C=CCInChI=1S/C5H8Se/c1-3-5-6-4-2/h3-5H,2H2,1H3InChIKey=UJQDYSHWEWGFNV-UHFFFAOYSA-N143.5Ex 143.46(BP est) -34.39(MP est) ----(BP exp) ----(MP exp) C=C[Se]C=CC -34.4Pred
C=C[Se]C(C)=C15278147.079C5H8Seprop-1-en-2-yl(vinyl)selaneN146C=C[Se]C(C)=CInChI=1S/C5H8Se/c1-4-6-5(2)3/h4H,1-2H2,3H3InChIKey=KNVQONUVFVJDQT-UHFFFAOYSA-N128.6Ex 128.62(BP est) -44.05(MP est) ----(BP exp) ----(MP exp) C=C[Se]C(C)=C -44.1Pred
[SeH]C(Cl)F15279147.435CH2ClFSechlorofluoromethaneselenolN64[Se]([H])C(Cl)FInChI=1S/CH2ClFSe/c2-1(3)4/h1,4HInChIKey=RDDBNWKYALSWHF-UHFFFAOYSA-N84.5Ex 84.48(BP est) -54.79(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)F -54.8Pred
OC1=N[Se]C=C115280148.023C3H3NOSe1,2-selenazol-3-olN96OC1=N[Se]C=C1InChI=1S/C3H3NOSe/c5-3-1-2-6-4-3/h1-2H,(H,4,5)InChIKey=HETYCUMIILTHSZ-UHFFFAOYSA-N241.5Ex 241.46(BP est) 57.71(MP est) ----(BP exp) ----(MP exp) OC1=N[Se]C=C1 57.7Pred
O=C1C=N[Se]C115281148.023C3H3NOSe1,2-selenazol-4(5H)-oneN96O=C1C=N[Se]C1InChI=1S/C3H3NOSe/c5-3-1-4-6-2-3/h1H,2H2InChIKey=GTRWXXRIVYGZPW-UHFFFAOYSA-N204.6Ex 204.63(BP est) 30.51(MP est) ----(BP exp) ----(MP exp) O=C1C=N[Se]C1 30.5Pred
[SeH]C1=NC=CO115282148.023C3H3NOSeoxazole-2-selenolN96[Se]([H])C1=NC=CO1InChI=1S/C3H3NOSe/c6-3-4-1-2-5-3/h1-2H,(H,4,6)InChIKey=OECHOPBJGNTGHY-UHFFFAOYSA-N162.0Ex 161.97(BP est) 7.95(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NC=CO1 8Pred
[SeH]C1=COC=N115283148.023C3H3NOSeoxazole-4-selenolN96[Se]([H])C1=COC=N1InChI=1S/C3H3NOSe/c6-3-1-5-2-4-3/h1-2,6HInChIKey=DEISHIVVNVDLDQ-UHFFFAOYSA-N162.0Ex 161.97(BP est) 7.95(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=COC=N1 8Pred
OC1=NC=C[Se]115284148.023C3H3NOSe1,3-selenazol-2-olN96OC1=NC=C[Se]1InChI=1S/C3H3NOSe/c5-3-4-1-2-6-3/h1-2H,(H,4,5)InChIKey=SFTDNFJJSUIGKF-UHFFFAOYSA-N241.5Ex 241.46(BP est) 57.71(MP est) ----(BP exp) ----(MP exp) OC1=NC=C[Se]1 57.7Pred
OC1=C[Se]C=N115285148.023C3H3NOSe1,3-selenazol-4-olN96OC1=C[Se]C=N1InChI=1S/C3H3NOSe/c5-3-1-6-2-4-3/h1-2,5HInChIKey=QLTINBYYPWJGIW-UHFFFAOYSA-N241.5Ex 241.46(BP est) 57.71(MP est) ----(BP exp) ----(MP exp) OC1=C[Se]C=N1 57.7Pred
OC1=CN=C[Se]115286148.023C3H3NOSe1,3-selenazol-5-olN96OC1=CN=C[Se]1InChI=1S/C3H3NOSe/c5-3-1-4-2-6-3/h1-2,5HInChIKey=GGEVKFBLARURPP-UHFFFAOYSA-N241.5Ex 241.46(BP est) 57.71(MP est) ----(BP exp) ----(MP exp) OC1=CN=C[Se]1 57.7Pred
O=[Se]1C=CN=C115287148.023C3H3NOSe1,3-selenazole 1-oxideN96O=[Se]1C=CN=C1InChI=1S/C3H3NOSe/c5-6-2-1-4-3-6/h1-3HInChIKey=XDPLYJWICWBLEC-UHFFFAOYSA-N174.5Ex 174.52(BP est) 13.73(MP est) ----(BP exp) ----(MP exp) O=[Se]1C=CN=C1 13.7Pred
NC1=C[Se]N=N115288148.027C2H3N3Se1,2,3-selenadiazol-4-amineN96NC1=C[Se]N=N1InChI=1S/C2H3N3Se/c3-2-1-6-5-4-2/h1H,3H2InChIKey=ZJBZCRUFESHVOT-UHFFFAOYSA-N289.8Ex 289.82(BP est) 89.97(MP est) ----(BP exp) ----(MP exp) NC1=C[Se]N=N1 90Pred
NC1=CN=N[Se]115289148.027C2H3N3Se1,2,3-selenadiazol-5-amineN96NC1=CN=N[Se]1InChI=1S/C2H3N3Se/c3-2-1-4-5-6-2/h1H,3H2InChIKey=GCGPSEQSXHHGHO-UHFFFAOYSA-N289.8Ex 289.82(BP est) 89.97(MP est) ----(BP exp) ----(MP exp) NC1=CN=N[Se]1 90Pred
NC1=N[Se]C=N115290148.027C2H3N3Se1,2,4-selenadiazol-3-amineN96NC1=N[Se]C=N1InChI=1S/C2H3N3Se/c3-2-4-1-6-5-2/h1H,(H2,3,5)InChIKey=BGBCDDUSDFWKTL-UHFFFAOYSA-N335.4Ex 335.43(BP est) 109.94(MP est) ----(BP exp) ----(MP exp) NC1=N[Se]C=N1 109.9Pred
NC1=NC=N[Se]115291148.027C2H3N3Se1,2,4-selenadiazol-5-amineN96NC1=NC=N[Se]1InChI=1S/C2H3N3Se/c3-2-4-1-5-6-2/h1H,(H2,3,4,5)InChIKey=WLJPVODRFRWVAR-UHFFFAOYSA-N335.4Ex 335.43(BP est) 109.94(MP est) ----(BP exp) ----(MP exp) NC1=NC=N[Se]1 109.9Pred
NC1=N[Se]N=C115292148.027C2H3N3Se1,2,5-selenadiazol-3-amineN96NC1=N[Se]N=C1InChI=1S/C2H3N3Se/c3-2-1-4-6-5-2/h1H,(H2,3,5)InChIKey=RRILSUFOMVBZKC-UHFFFAOYSA-N335.4Ex 335.43(BP est) 109.94(MP est) ----(BP exp) ----(MP exp) NC1=N[Se]N=C1 109.9Pred
NC1=NN=C[Se]115293148.027C2H3N3Se1,3,4-selenadiazol-2-amineN96NC1=NN=C[Se]1InChI=1S/C2H3N3Se/c3-2-5-4-1-6-2/h1H,(H2,3,5)InChIKey=MCBOINOJZQFGBM-UHFFFAOYSA-N289.8Ex 289.82(BP est) 89.97(MP est) ----(BP exp) ----(MP exp) NC1=NN=C[Se]1 90Pred
[Se]=C1CNN=N115294148.027C2H3N3Se1,5-dihydro-4H-1,2,3-triazole-4-selenoneN96[Se]=C1CNN=N1InChI=1S/C2H3N3Se/c6-2-1-3-5-4-2/h1H2,(H,3,4,6)InChIKey=YUJQFUVIJSBPFA-UHFFFAOYSA-N267.1Ex 267.13(BP est) 88.59(MP est) ----(BP exp) ----(MP exp) [Se]=C1CNN=N1 88.6Pred
[SeH]C1=NNC=N115295148.027C2H3N3Se1H-1,2,4-triazole-3-selenolN96[Se]([H])C1=NNC=N1InChI=1S/C2H3N3Se/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)InChIKey=VVGXNHZOTNZDEB-UHFFFAOYSA-N262.1Ex 262.11(BP est) 78.21(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NNC=N1 78.2Pred
[SeH]N1N=CC=N115296148.027C2H3N3Se2H-1,2,3-triazole-2-selenolN96[Se]([H])N1N=CC=N1InChI=1S/C2H3N3Se/c6-5-3-1-2-4-5/h1-2,6HInChIKey=NPFVDANXRSHSGT-UHFFFAOYSA-N191.4Ex 191.36(BP est) 40.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])N1N=CC=N1 40Pred
[SeH]C1N=CN=N115297148.027C2H3N3Se3H-1,2,4-triazole-3-selenolN96[Se]([H])C1N=CN=N1InChI=1S/C2H3N3Se/c6-2-3-1-4-5-2/h1-2,6HInChIKey=HTJOZKQTCWBXPD-UHFFFAOYSA-N194.4Ex 194.37(BP est) 44.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1N=CN=N1 44.3Pred
[Se]=C1N=NCN115298148.027C2H3N3Se4,5-dihydro-3H-1,2,4-triazole-3-selenoneN96[Se]=C1N=NCN1InChI=1S/C2H3N3Se/c6-2-3-1-4-5-2/h1H2,(H,3,6)InChIKey=AURDAZRNHRWWSQ-UHFFFAOYSA-N216.2Ex 216.21(BP est) 66.29(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=NCN1 66.3Pred
CCC[Se]C#N15299148.067C4H7NSe1-selenocyanatopropaneN136CCC[Se]C#NInChI=1S/C4H7NSe/c1-2-3-6-4-5/h2-3H2,1H3InChIKey=UXAKYQHJRPCIOZ-UHFFFAOYSA-N202.0Ex 202.03(BP est) 12.99(MP est) ----(BP exp) ----(MP exp) CCC[Se]C#N 13Pred
CC[Se]CC#N15300148.067C4H7NSe2-(ethylselanyl)acetonitrileN136CC[Se]CC#NInChI=1S/C4H7NSe/c1-2-6-4-3-5/h2,4H2,1H3InChIKey=HSKROLJXYBVJIC-UHFFFAOYSA-N202.0Ex 202.03(BP est) 12.99(MP est) ----(BP exp) ----(MP exp) CC[Se]CC#N 13Pred
CC1=NCC[Se]115301148.067C4H7NSe2-methyl-4,5-dihydro-1,3-selenazoleN136CC1=NCC[Se]1InChI=1S/C4H7NSe/c1-4-5-2-3-6-4/h2-3H2,1H3InChIKey=BENTUJDVVCBSRS-UHFFFAOYSA-N165.4Ex 165.42(BP est) 21.54(MP est) ----(BP exp) ----(MP exp) CC1=NCC[Se]1 21.5Pred
C=C1[Se]CCN115302148.067C4H7NSe2-methylene-1,3-selenazolidineN136C=C1[Se]CCN1InChI=1S/C4H7NSe/c1-4-5-2-3-6-4/h5H,1-3H2InChIKey=ZVGWDTPMJZOMJN-UHFFFAOYSA-N179.7Ex 179.74(BP est) 16.98(MP est) ----(BP exp) ----(MP exp) C=C1[Se]CCN1 17Pred
CC(C)[Se]C#N15303148.067C4H7NSe2-selenocyanatopropaneN136CC(C)[Se]C#NInChI=1S/C4H7NSe/c1-4(2)6-3-5/h4H,1-2H3InChIKey=PTQBGSZDLRYPBD-UHFFFAOYSA-N189.9Ex 189.91(BP est) 1.95(MP est) ----(BP exp) ----(MP exp) CC(C)[Se]C#N 2Pred
N#CCC[Se]C15304148.067C4H7NSe3-(methylselanyl)propanenitrileN136N#CCC[Se]CInChI=1S/C4H7NSe/c1-6-4-2-3-5/h2,4H2,1H3InChIKey=TVJJLAZRCCXKHY-UHFFFAOYSA-N202.0Ex 202.03(BP est) 12.99(MP est) ----(BP exp) ----(MP exp) N#CCC[Se]C 13Pred
NC1=CCC[Se]115305148.067C4H7NSe4,5-dihydroselenophen-2-amineN136NC1=CCC[Se]1InChI=1S/C4H7NSe/c5-4-2-1-3-6-4/h2H,1,3,5H2InChIKey=SQOHOVKJPWKRAS-UHFFFAOYSA-N186.6Ex 186.62(BP est) 20.83(MP est) ----(BP exp) ----(MP exp) NC1=CCC[Se]1 20.8Pred
[SeH]CCCC#N15306148.067C4H7NSe4-hydroselenobutanenitrileN136[Se]([H])CCCC#NInChI=1S/C4H7NSe/c5-3-1-2-4-6/h6H,1-2,4H2InChIKey=CPSDCGUSXZRFIR-UHFFFAOYSA-N203.9Ex 203.85(BP est) 21.70(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCC#N 21.7Pred
CC1=NC[Se]C115307148.067C4H7NSe4-methyl-2,5-dihydro-1,3-selenazoleN136CC1=NC[Se]C1InChI=1S/C4H7NSe/c1-4-2-6-3-5-4/h2-3H2,1H3InChIKey=PMKGJPFYKDKSGI-UHFFFAOYSA-N165.4Ex 165.42(BP est) 21.54(MP est) ----(BP exp) ----(MP exp) CC1=NC[Se]C1 21.5Pred
[Se]=C1NCCC115308148.067C4H7NSepyrrolidine-2-selenoneN136[Se]=C1NCCC1InChI=1S/C4H7NSe/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)InChIKey=QAAAJHZLTJACOJ-UHFFFAOYSA-N188.3Ex 188.25(BP est) 23.73(MP est) ----(BP exp) ----(MP exp) [Se]=C1NCCC1 23.7Pred
[SeH]C(F)(F)F15309148.974CHF3SetrifluoromethaneselenolN65[Se]([H])C(F)(F)FInChI=1S/CHF3Se/c2-1(3,4)5/h5HInChIKey=PJWYGEHRVRPGMF-UHFFFAOYSA-N24.6Ex 24.61(BP est) -77.93(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)(F)F -77.9Pred
[Se]=C1OC=CO115310149.007C3H2O2Se1,3-dioxole-2-selenoneN86[Se]=C1OC=CO1InChI=1S/C3H2O2Se/c6-3-4-1-2-5-3/h1-2HInChIKey=NYTOKDQLFJOQDN-UHFFFAOYSA-N168.6Ex 168.61(BP est) 14.26(MP est) ----(BP exp) ----(MP exp) [Se]=C1OC=CO1 14.3Pred
[Se]=C1N=CNO115311149.011C2H2N2OSe1,2,4-oxadiazole-5(2H)-selenoneN86[Se]=C1N=CNO1InChI=1S/C2H2N2OSe/c6-2-3-1-4-5-2/h1H,(H,3,4,6)InChIKey=HVMUKEJPTVTUQI-UHFFFAOYSA-N307.8Ex 307.82(BP est) 95.17(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=CNO1 95.2Pred
O=C1N=C[Se]N115312149.011C2H2N2OSe1,2,4-selenadiazol-3(2H)-oneN86O=C1N=C[Se]N1InChI=1S/C2H2N2OSe/c5-2-3-1-6-4-2/h1H,(H,4,5)InChIKey=GHFZMHSUJAETTM-UHFFFAOYSA-N265.7Ex 265.73(BP est) 79.24(MP est) ----(BP exp) ----(MP exp) O=C1N=C[Se]N1 79.2Pred
O=C1N=CN[Se]115313149.011C2H2N2OSe1,2,4-selenadiazol-5(2H)-oneN86O=C1N=CN[Se]1InChI=1S/C2H2N2OSe/c5-2-3-1-4-6-2/h1H,(H,3,4,5)InChIKey=VJLYSVDLSXLIKJ-UHFFFAOYSA-N347.8Ex 347.78(BP est) 125.55(MP est) ----(BP exp) ----(MP exp) O=C1N=CN[Se]1 125.6Pred
OC1=N[Se]N=C115314149.011C2H2N2OSe1,2,5-selenadiazol-3-olN86OC1=N[Se]N=C1InChI=1S/C2H2N2OSe/c5-2-1-3-6-4-2/h1H,(H,4,5)InChIKey=YIXHXMPDYYDOAE-UHFFFAOYSA-N327.0Ex 327.01(BP est) 110.24(MP est) ----(BP exp) ----(MP exp) OC1=N[Se]N=C1 110.2Pred
O=[Se]1N=CC=N115315149.011C2H2N2OSe1,2,5-selenadiazole 1-oxideN86O=[Se]1N=CC=N1InChI=1S/C2H2N2OSe/c5-6-3-1-2-4-6/h1-2HInChIKey=APZRSMMRUUDFLC-UHFFFAOYSA-N277.3Ex 277.30(BP est) 65.33(MP est) ----(BP exp) ----(MP exp) O=[Se]1N=CC=N1 65.3Pred
[SeH]C1=NN=CO115316149.011C2H2N2OSe1,3,4-oxadiazole-2-selenolN86[Se]([H])C1=NN=CO1InChI=1S/C2H2N2OSe/c6-2-4-3-1-5-2/h1H,(H,4,6)InChIKey=OXYMMFJOCQAXSN-UHFFFAOYSA-N217.7Ex 217.67(BP est) 47.41(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NN=CO1 47.4Pred
OC1=NN=C[Se]115317149.011C2H2N2OSe1,3,4-selenadiazol-2-olN86OC1=NN=C[Se]1InChI=1S/C2H2N2OSe/c5-2-4-3-1-6-2/h1H,(H,4,5)InChIKey=SUNVPQQTRUKEBR-UHFFFAOYSA-N279.4Ex 279.42(BP est) 89.40(MP est) ----(BP exp) ----(MP exp) OC1=NN=C[Se]1 89.4Pred
NC1=NN=N[Se]115318149.015CH2N4Se1,2,3,4-selenatriazol-5-amineN86NC1=NN=N[Se]1InChI=1S/CH2N4Se/c2-1-3-4-5-6-1/h(H2,2,3,5)InChIKey=AEHYRVNZXFSYLG-UHFFFAOYSA-N299.9Ex 299.94(BP est) 99.87(MP est) ----(BP exp) ----(MP exp) NC1=NN=N[Se]1 99.9Pred
[SeH]C1=NN=NN115319149.015CH2N4Se1H-tetrazole-5-selenolN86[Se]([H])C1=NN=NN1InChI=1S/CH2N4Se/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)InChIKey=YZSUZFMTYFGHGX-UHFFFAOYSA-N269.9Ex 269.91(BP est) 86.14(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NN=NN1 86.1Pred
[SeH]C1N=NN=N115320149.015CH2N4Se5H-tetrazole-5-selenolN86[Se]([H])C1N=NN=N1InChI=1S/CH2N4Se/c6-1-2-4-5-3-1/h1,6HInChIKey=SICKXVIFAUGNCT-UHFFFAOYSA-N207.1Ex 207.10(BP est) 64.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1N=NN=N1 64.9Pred
FC#CC1C[Se]115321149.026C4H3FSe2-(fluoroethynyl)seleniraneN96FC#CC1C[Se]1InChI=1S/C4H3FSe/c5-2-1-4-3-6-4/h4H,3H2InChIKey=LNVUFIJKQFWCMW-UHFFFAOYSA-N136.0Ex 135.97(BP est) 25.28(MP est) ----(BP exp) ----(MP exp) FC#CC1C[Se]1 25.3Pred
FC1(C#C)C[Se]115322149.026C4H3FSe2-ethynyl-2-fluoroseleniraneN96FC1(C#C)C[Se]1InChI=1S/C4H3FSe/c1-2-4(5)3-6-4/h1H,3H2InChIKey=DNTWZLKOCMTMCC-UHFFFAOYSA-N115.2Ex 115.22(BP est) 1.61(MP est) ----(BP exp) ----(MP exp) FC1(C#C)C[Se]1 1.6Pred
FC1C(C#C)[Se]115323149.026C4H3FSe2-ethynyl-3-fluoroseleniraneN96FC1C(C#C)[Se]1InChI=1S/C4H3FSe/c1-2-3-4(5)6-3/h1,3-4HInChIKey=UFKDVICPQSQXOP-UHFFFAOYSA-N120.8Ex 120.77(BP est) -10.84(MP est) ----(BP exp) ----(MP exp) FC1C(C#C)[Se]1 -10.8Pred
C=C[Se](C=C)=O15324149.051C4H6OSe(vinylseleninyl)etheneN126C=C[Se](C=C)=OInChI=1S/C4H6OSe/c1-3-6(5)4-2/h3-4H,1-2H2InChIKey=KZKQYLARPUYNJA-UHFFFAOYSA-N101.4Ex 101.40(BP est) -49.61(MP est) ----(BP exp) ----(MP exp) C=C[Se](C=C)=O -49.6Pred
CC#C[Se](C)=O15325149.051C4H6OSe1-(methylseleninyl)prop-1-yneN126CC#C[Se](C)=OInChI=1S/C4H6OSe/c1-3-4-6(2)5/h1-2H3InChIKey=CCIXJOCGPLQNFW-UHFFFAOYSA-N122.0Ex 122.00(BP est) 11.22(MP est) ----(BP exp) ----(MP exp) CC#C[Se](C)=O 11.2Pred
C[Se](C=C=C)=O15326149.051C4H6OSe1-(methylseleninyl)propa-1,2-dieneN126C[Se](C=C=C)=OInChI=1S/C4H6OSe/c1-3-4-6(2)5/h4H,1H2,2H3InChIKey=SXJPXPYOWAPRGN-UHFFFAOYSA-N105.1Ex 105.10(BP est) -44.39(MP est) ----(BP exp) ----(MP exp) C[Se](C=C=C)=O -44.4Pred
C1=COCC[Se]115327149.051C4H6OSe2,3-dihydro-1,4-oxaselenineN126C1=COCC[Se]1InChI=1S/C4H6OSe/c1-3-6-4-2-5-1/h1,3H,2,4H2InChIKey=MBPHJZHXUGYEGB-UHFFFAOYSA-N161.3Ex 161.28(BP est) -10.17(MP est) ----(BP exp) ----(MP exp) C1=COCC[Se]1 -10.2Pred
O=CC=C[Se]C15328149.051C4H6OSe3-(methylselanyl)acrylaldehydeN126O=CC=C[Se]CInChI=1S/C4H6OSe/c1-6-4-2-3-5/h2-4H,1H3InChIKey=DKGCMVDRYQTXCP-UHFFFAOYSA-N178.2Ex 178.23(BP est) -8.00(MP est) ----(BP exp) ----(MP exp) O=CC=C[Se]C -8Pred
O=C1[Se]CC1C15329149.051C4H6OSe3-methylselenetan-2-oneN126O=C1[Se]CC1CInChI=1S/C4H6OSe/c1-3-2-6-4(3)5/h3H,2H2,1H3InChIKey=QWLCQWVWTQEGPP-UHFFFAOYSA-N181.3Ex 181.31(BP est) 17.52(MP est) ----(BP exp) ----(MP exp) O=C1[Se]CC1C 17.5Pred
O=C1CC(C)[Se]115330149.051C4H6OSe4-methylselenetan-2-oneN126O=C1CC(C)[Se]1InChI=1S/C4H6OSe/c1-3-2-4(5)6-3/h3H,2H2,1H3InChIKey=YPELSNZORWHFJS-UHFFFAOYSA-N181.3Ex 181.31(BP est) 17.52(MP est) ----(BP exp) ----(MP exp) O=C1CC(C)[Se]1 17.5Pred
[Se]=C1OCCC115331149.051C4H6OSedihydrofuran-2(3H)-selenoneN126[Se]=C1OCCC1InChI=1S/C4H6OSe/c6-4-2-1-3-5-4/h1-3H2InChIKey=BAYKBDMKYMFICN-UHFFFAOYSA-N160.0Ex 160.00(BP est) 3.71(MP est) ----(BP exp) ----(MP exp) [Se]=C1OCCC1 3.7Pred
O=C1CCC[Se]115332149.051C4H6OSedihydroselenophen-2(3H)-oneN126O=C1CCC[Se]1InChI=1S/C4H6OSe/c5-4-2-1-3-6-4/h1-3H2InChIKey=LUNQADSUKQZQHC-UHFFFAOYSA-N189.2Ex 189.16(BP est) 20.17(MP est) ----(BP exp) ----(MP exp) O=C1CCC[Se]1 20.2Pred
O=C1C[Se]CC115333149.051C4H6OSedihydroselenophen-3(2H)-oneN126O=C1C[Se]CC1InChI=1S/C4H6OSe/c5-4-1-2-6-3-4/h1-3H2InChIKey=BVYAHMHLFMJXDL-UHFFFAOYSA-N189.2Ex 189.16(BP est) 20.17(MP est) ----(BP exp) ----(MP exp) O=C1C[Se]CC1 20.2Pred
C=CC([Se]C)=O15334149.051C4H6OSeSe-methyl prop-2-eneselenoateN126C=CC([Se]C)=OInChI=1S/C4H6OSe/c1-3-4(5)6-2/h3H,1H2,2H3InChIKey=VSBVIFAQBDPQIF-UHFFFAOYSA-N157.7Ex 157.68(BP est) -8.37(MP est) ----(BP exp) ----(MP exp) C=CC([Se]C)=O -8.4Pred
[Se]=C1NCCN115335149.055C3H6N2Seimidazolidine-2-selenoneN126[Se]=C1NCCN1InChI=1S/C3H6N2Se/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)InChIKey=NXIPKIGZCGQSBP-UHFFFAOYSA-N220.0Ex 220.04(BP est) 61.08(MP est) ----(BP exp) ----(MP exp) [Se]=C1NCCN1 61.1Pred
N=C1[Se]CCN115336149.055C3H6N2Se1,3-selenazolidin-2-imineN126N=C1[Se]CCN1InChI=1S/C3H6N2Se/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)InChIKey=QDUSKJBHUDYXPR-UHFFFAOYSA-N226.2Ex 226.18(BP est) 55.62(MP est) ----(BP exp) ----(MP exp) N=C1[Se]CCN1 55.6Pred
[SeH]CC1(C)CC115337149.095C5H10Se(1-methylcyclopropyl)methaneselenolN166[Se]([H])CC1(C)CC1InChI=1S/C5H10Se/c1-5(4-6)2-3-5/h6H,2-4H2,1H3InChIKey=HPEWXYOIEFEKBL-UHFFFAOYSA-N132.2Ex 132.21(BP est) -5.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1(C)CC1 -5.2Pred
C[Se]CC1CC115338149.095C5H10Se(cyclopropylmethyl)(methyl)selaneN166C[Se]CC1CC1InChI=1S/C5H10Se/c1-6-4-5-2-3-5/h5H,2-4H2,1H3InChIKey=SLHOCZYOQGMESN-UHFFFAOYSA-N142.0Ex 142.04(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) C[Se]CC1CC1 -22.4Pred
[SeH]C(C1CC1)C15339149.095C5H10Se1-cyclopropylethane-1-selenolN166[Se]([H])C(C1CC1)CInChI=1S/C5H10Se/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3InChIKey=ARFFADXOTFYINY-UHFFFAOYSA-N130.5Ex 130.50(BP est) -25.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C1CC1)C -25.1Pred
[SeH]C1(CC)CC115340149.095C5H10Se1-ethylcyclopropane-1-selenolN166[Se]([H])C1(CC)CC1InChI=1S/C5H10Se/c1-2-5(6)3-4-5/h6H,2-4H2,1H3InChIKey=XNXZWFFDYTUSPA-UHFFFAOYSA-N132.2Ex 132.21(BP est) -5.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(CC)CC1 -5.2Pred
[SeH]C1(C)CCC115341149.095C5H10Se1-methylcyclobutane-1-selenolN166[Se]([H])C1(C)CCC1InChI=1S/C5H10Se/c1-5(6)3-2-4-5/h6H,2-4H2,1H3InChIKey=GMLISEDOWXTULU-UHFFFAOYSA-N134.3Ex 134.30(BP est) -6.30(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C)CCC1 -6.3Pred
CC1C(C)(C)[Se]115342149.095C5H10Se2,2,3-trimethylseleniraneN166CC1C(C)(C)[Se]1InChI=1S/C5H10Se/c1-4-5(2,3)6-4/h4H,1-3H3InChIKey=WVWVMFQXAJGXOO-UHFFFAOYSA-N121.3Ex 121.31(BP est) -16.88(MP est) ----(BP exp) ----(MP exp) CC1C(C)(C)[Se]1 -16.9Pred
CC1(C)[Se]CC115343149.095C5H10Se2,2-dimethylselenetaneN166CC1(C)[Se]CC1InChI=1S/C5H10Se/c1-5(2)3-4-6-5/h3-4H2,1-2H3InChIKey=FGOVEWFOFWNUQT-UHFFFAOYSA-N130.1Ex 130.10(BP est) -13.95(MP est) ----(BP exp) ----(MP exp) CC1(C)[Se]CC1 -14Pred
CC1[Se]CC1C15344149.095C5H10Se2,3-dimethylselenetaneN166CC1[Se]CC1CInChI=1S/C5H10Se/c1-4-3-6-5(4)2/h4-5H,3H2,1-2H3InChIKey=OKAZRXZZLXRTPC-UHFFFAOYSA-N135.5Ex 135.52(BP est) -26.44(MP est) ----(BP exp) ----(MP exp) CC1[Se]CC1C -26.4Pred
CC1CC(C)[Se]115345149.095C5H10Se2,4-dimethylselenetaneN166CC1CC(C)[Se]1InChI=1S/C5H10Se/c1-4-3-5(2)6-4/h4-5H,3H2,1-2H3InChIKey=ZZJYYRZNHHEMHU-UHFFFAOYSA-N135.5Ex 135.52(BP est) -26.44(MP est) ----(BP exp) ----(MP exp) CC1CC(C)[Se]1 -26.4Pred
[SeH]CCC1CC115346149.095C5H10Se2-cyclopropylethane-1-selenolN166[Se]([H])CCC1CC1InChI=1S/C5H10Se/c6-4-3-5-1-2-5/h5-6H,1-4H2InChIKey=RWRBMJUVKOIETE-UHFFFAOYSA-N144.1Ex 144.11(BP est) -13.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC1CC1 -13.6Pred
CC1(CC)C[Se]115347149.095C5H10Se2-ethyl-2-methylseleniraneN166CC1(CC)C[Se]1InChI=1S/C5H10Se/c1-3-5(2)4-6-5/h3-4H2,1-2H3InChIKey=HLHVTOZVXGPQCP-UHFFFAOYSA-N128.0Ex 128.00(BP est) -12.81(MP est) ----(BP exp) ----(MP exp) CC1(CC)C[Se]1 -12.8Pred
CC1C(CC)[Se]115348149.095C5H10Se2-ethyl-3-methylseleniraneN166CC1C(CC)[Se]1InChI=1S/C5H10Se/c1-3-5-4(2)6-5/h4-5H,3H2,1-2H3InChIKey=XSVVZAGHCKIEBB-UHFFFAOYSA-N133.4Ex 133.44(BP est) -25.29(MP est) ----(BP exp) ----(MP exp) CC1C(CC)[Se]1 -25.3Pred
CCC1[Se]CC115349149.095C5H10Se2-ethylselenetaneN166CCC1[Se]CC1InChI=1S/C5H10Se/c1-2-5-3-4-6-5/h5H,2-4H2,1H3InChIKey=NYAGVWWHTJGPRG-UHFFFAOYSA-N142.0Ex 142.04(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) CCC1[Se]CC1 -22.4Pred
CCC(C)=C[SeH]15350149.095C5H10Se2-methylbut-1-ene-1-selenolN166CCC(C)=C[Se]([H])InChI=1S/C5H10Se/c1-3-5(2)4-6/h4,6H,3H2,1-2H3InChIKey=MDMRZGDDNZESPH-UHFFFAOYSA-N141.1Ex 141.09(BP est) -33.00(MP est) ----(BP exp) ----(MP exp) CCC(C)=C[Se]([H]) -33Pred
[SeH]CC(C=C)C15351149.095C5H10Se2-methylbut-3-ene-1-selenolN166[Se]([H])CC(C=C)CInChI=1S/C5H10Se/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3InChIKey=NRKDKMGYTCHVRH-UHFFFAOYSA-N124.9Ex 124.88(BP est) -36.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C=C)C -36.6Pred
[SeH]C(C)(C)C=C15352149.095C5H10Se2-methylbut-3-ene-2-selenolN166[Se]([H])C(C)(C)C=CInChI=1S/C5H10Se/c1-4-5(2,3)6/h4,6H,1H2,2-3H3InChIKey=PTWZIWBIKSEWEQ-UHFFFAOYSA-N115.7Ex 115.66(BP est) -30.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(C)C=C -30.6Pred
[SeH]C1CCC1C15353149.095C5H10Se2-methylcyclobutane-1-selenolN166[Se]([H])C1CCC1CInChI=1S/C5H10Se/c1-4-2-3-5(4)6/h4-6H,2-3H2,1H3InChIKey=GNISEXKOABZETR-UHFFFAOYSA-N139.7Ex 139.67(BP est) -18.80(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CCC1C -18.8Pred
CC1[Se]CCC115354149.095C5H10Se2-methyltetrahydroselenopheneN166CC1[Se]CCC1InChI=1S/C5H10Se/c1-5-3-2-4-6-5/h5H,2-4H2,1H3InChIKey=RAUIRLYNWJQIFD-UHFFFAOYSA-N144.1Ex 144.09(BP est) -23.58(MP est) ----(BP exp) ----(MP exp) CC1[Se]CCC1 -23.6Pred
CCCC1C[Se]115355149.095C5H10Se2-propylseleniraneN166CCCC1C[Se]1InChI=1S/C5H10Se/c1-2-3-5-4-6-5/h5H,2-4H2,1H3InChIKey=DRZJETYMLUYXEF-UHFFFAOYSA-N140.0Ex 139.99(BP est) -21.26(MP est) ----(BP exp) ----(MP exp) CCCC1C[Se]1 -21.3Pred
CC1(C)C[Se]C115356149.095C5H10Se3,3-dimethylselenetaneN166CC1(C)C[Se]C1InChI=1S/C5H10Se/c1-5(2)3-6-4-5/h3-4H2,1-2H3InChIKey=YCRRVXLLGPDVSB-UHFFFAOYSA-N130.1Ex 130.10(BP est) -13.95(MP est) ----(BP exp) ----(MP exp) CC1(C)C[Se]C1 -14Pred
CCC1C[Se]C115357149.095C5H10Se3-ethylselenetaneN166CCC1C[Se]C1InChI=1S/C5H10Se/c1-2-5-3-6-4-5/h5H,2-4H2,1H3InChIKey=DBDKENBVLWEECV-UHFFFAOYSA-N142.0Ex 142.04(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) CCC1C[Se]C1 -22.4Pred
[SeH]CC=C(C)C15358149.095C5H10Se3-methylbut-2-ene-1-selenolN166[Se]([H])CC=C(C)CInChI=1S/C5H10Se/c1-5(2)3-4-6/h3,6H,4H2,1-2H3InChIKey=GQSIWVMCVUROSL-UHFFFAOYSA-N141.1Ex 141.09(BP est) -33.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(C)C -33Pred
CC1C[Se]CC115359149.095C5H10Se3-methyltetrahydroselenopheneN166CC1C[Se]CC1InChI=1S/C5H10Se/c1-5-2-3-6-4-5/h5H,2-4H2,1H3InChIKey=BCOGGVDFWIIUTK-UHFFFAOYSA-N144.1Ex 144.09(BP est) -23.58(MP est) ----(BP exp) ----(MP exp) CC1C[Se]CC1 -23.6Pred
CC[Se]CC=C15360149.095C5H10Seallyl(ethyl)selaneN166CC[Se]CC=CInChI=1S/C5H10Se/c1-3-5-6-4-2/h3H,1,4-5H2,2H3InChIKey=WLNJROQEHZBESH-UHFFFAOYSA-N136.5Ex 136.53(BP est) -33.87(MP est) ----(BP exp) ----(MP exp) CC[Se]CC=C -33.9Pred
C[Se]C=CCC15361149.095C5H10Sebut-1-en-1-yl(methyl)selaneN166C[Se]C=CCCInChI=1S/C5H10Se/c1-3-4-5-6-2/h4-5H,3H2,1-2H3InChIKey=KSPYXLQIGWYXNW-UHFFFAOYSA-N145.1Ex 145.12(BP est) -33.03(MP est) ----(BP exp) ----(MP exp) C[Se]C=CCC -33Pred
C[Se]C(CC)=C15362149.095C5H10Sebut-1-en-2-yl(methyl)selaneN166C[Se]C(CC)=CInChI=1S/C5H10Se/c1-4-5(2)6-3/h2,4H2,1,3H3InChIKey=RXHPJATVMOHOIB-UHFFFAOYSA-N130.3Ex 130.33(BP est) -42.67(MP est) ----(BP exp) ----(MP exp) C[Se]C(CC)=C -42.7Pred
C[Se]C(C)=CC15363149.095C5H10Sebut-2-en-2-yl(methyl)selaneN166C[Se]C(C)=CCInChI=1S/C5H10Se/c1-4-5(2)6-3/h4H,1-3H3InChIKey=FUAPVIIVHCJPBH-UHFFFAOYSA-N139.0Ex 139.01(BP est) -41.79(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)=CC -41.8Pred
C[Se]CCC=C15364149.095C5H10Sebut-3-en-1-yl(methyl)selaneN166C[Se]CCC=CInChI=1S/C5H10Se/c1-3-4-5-6-2/h3H,1,4-5H2,2H3InChIKey=DJRVSRKFLADNSA-UHFFFAOYSA-N136.5Ex 136.53(BP est) -33.87(MP est) ----(BP exp) ----(MP exp) C[Se]CCC=C -33.9Pred
C[Se]C(C=C)C15365149.095C5H10Sebut-3-en-2-yl(methyl)selaneN166C[Se]C(C=C)CInChI=1S/C5H10Se/c1-4-5(2)6-3/h4-5H,1H2,2-3H3InChIKey=JUBTWPSDRWCKJH-UHFFFAOYSA-N122.7Ex 122.74(BP est) -45.40(MP est) ----(BP exp) ----(MP exp) C[Se]C(C=C)C -45.4Pred
C[Se]C1CCC115366149.095C5H10Secyclobutyl(methyl)selaneN166C[Se]C1CCC1InChI=1S/C5H10Se/c1-6-5-3-2-4-5/h5H,2-4H2,1H3InChIKey=FZNJYDAFKDGKCL-UHFFFAOYSA-N144.1Ex 144.09(BP est) -23.58(MP est) ----(BP exp) ----(MP exp) C[Se]C1CCC1 -23.6Pred
[SeH]CC1CCC115367149.095C5H10SecyclobutylmethaneselenolN166[Se]([H])CC1CCC1InChI=1S/C5H10Se/c6-4-5-2-1-3-5/h5-6H,1-4H2InChIKey=MFCGORHOGDYQTJ-UHFFFAOYSA-N146.2Ex 146.15(BP est) -14.79(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1CCC1 -14.8Pred
[SeH]C1CCCC115368149.095C5H10SecyclopentaneselenolN166[Se]([H])C1CCCC1InChI=1S/C5H10Se/c6-5-3-1-2-4-5/h5-6H,1-4H2InChIKey=HMQBMQSGGPOUHC-UHFFFAOYSA-N148.2Ex 148.18(BP est) -15.96(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CCCC1 -16Pred
CC[Se]C1CC115369149.095C5H10Secyclopropyl(ethyl)selaneN166CC[Se]C1CC1InChI=1S/C5H10Se/c1-2-6-5-3-4-5/h5H,2-4H2,1H3InChIKey=CPWOVOQHMXLBDH-UHFFFAOYSA-N142.0Ex 142.04(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) CC[Se]C1CC1 -22.4Pred
CC[Se]C=CC15370149.095C5H10Seethyl(prop-1-en-1-yl)selaneN166CC[Se]C=CCInChI=1S/C5H10Se/c1-3-5-6-4-2/h3,5H,4H2,1-2H3InChIKey=VWNCVZYOCRUDDI-UHFFFAOYSA-N145.1Ex 145.12(BP est) -33.03(MP est) ----(BP exp) ----(MP exp) CC[Se]C=CC -33Pred
CC[Se]C(C)=C15371149.095C5H10Seethyl(prop-1-en-2-yl)selaneN166CC[Se]C(C)=CInChI=1S/C5H10Se/c1-4-6-5(2)3/h2,4H2,1,3H3InChIKey=RMNJUYROVYFWQK-UHFFFAOYSA-N130.3Ex 130.33(BP est) -42.67(MP est) ----(BP exp) ----(MP exp) CC[Se]C(C)=C -42.7Pred
CC([Se]C=C)C15372149.095C5H10Seisopropyl(vinyl)selaneN166CC([Se]C=C)CInChI=1S/C5H10Se/c1-4-6-5(2)3/h4-5H,1H2,2-3H3InChIKey=PRESKNAHSPSOOB-UHFFFAOYSA-N122.7Ex 122.74(BP est) -45.40(MP est) ----(BP exp) ----(MP exp) CC([Se]C=C)C -45.4Pred
C[Se]C1(C)CC115373149.095C5H10Semethyl(1-methylcyclopropyl)selaneN166C[Se]C1(C)CC1InChI=1S/C5H10Se/c1-5(6-2)3-4-5/h3-4H2,1-2H3InChIKey=PEQCPYRZAAJVBB-UHFFFAOYSA-N130.1Ex 130.10(BP est) -13.95(MP est) ----(BP exp) ----(MP exp) C[Se]C1(C)CC1 -14Pred
C=C(C)C[Se]C15374149.095C5H10Semethyl(2-methylallyl)selaneN166C=C(C)C[Se]CInChI=1S/C5H10Se/c1-5(2)4-6-3/h1,4H2,2-3H3InChIKey=IYAFENFELZNWIE-UHFFFAOYSA-N130.3Ex 130.33(BP est) -42.67(MP est) ----(BP exp) ----(MP exp) C=C(C)C[Se]C -42.7Pred
C[Se]C=C(C)C15375149.095C5H10Semethyl(2-methylprop-1-en-1-yl)selaneN166C[Se]C=C(C)CInChI=1S/C5H10Se/c1-5(2)4-6-3/h4H,1-3H3InChIKey=ZYMDUKZLZWZARX-UHFFFAOYSA-N139.0Ex 139.01(BP est) -41.79(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(C)C -41.8Pred
[SeH]C(C=C)CC15376149.095C5H10Sepent-1-ene-3-selenolN166[Se]([H])C(C=C)CCInChI=1S/C5H10Se/c1-3-5(6)4-2/h3,5-6H,1,4H2,2H3InChIKey=NEVWLTPUROUKBR-UHFFFAOYSA-N124.9Ex 124.88(BP est) -36.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)CC -36.6Pred
[SeH]CCCC=C15377149.095C5H10Sepent-4-ene-1-selenolN166[Se]([H])CCCC=CInChI=1S/C5H10Se/c1-2-3-4-5-6/h2,6H,1,3-5H2InChIKey=LCGOPYDUFABONF-UHFFFAOYSA-N138.6Ex 138.62(BP est) -25.08(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCC=C -25.1Pred
[SeH]C(CC=C)C15378149.095C5H10Sepent-4-ene-2-selenolN166[Se]([H])C(CC=C)CInChI=1S/C5H10Se/c1-3-4-5(2)6/h3,5-6H,1,4H2,2H3InChIKey=CBRDRIKWASKDCA-UHFFFAOYSA-N124.9Ex 124.88(BP est) -36.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC=C)C -36.6Pred
CCC[Se]C=C15379149.095C5H10Sepropyl(vinyl)selaneN166CCC[Se]C=CInChI=1S/C5H10Se/c1-3-5-6-4-2/h4H,2-3,5H2,1H3InChIKey=CWNLVJSWAJWVSZ-UHFFFAOYSA-N136.5Ex 136.53(BP est) -33.87(MP est) ----(BP exp) ----(MP exp) CCC[Se]C=C -33.9Pred
C1CCCC[Se]115380149.095C5H10Setetrahydro-2H-selenopyranN166C1CCCC[Se]1InChI=1S/C5H10Se/c1-2-4-6-5-3-1/h1-5H2InChIKey=WWFRMNXCYGEFPA-UHFFFAOYSA-N152.5Ex 152.53(BP est) -20.75(MP est) ----(BP exp) ----(MP exp) C1CCCC[Se]1 -20.8Pred
O=[Se](C)CC#N15381150.039C3H5NOSe2-(methylseleninyl)acetonitrileN116O=[Se](C)CC#NInChI=1S/C3H5NOSe/c1-6(5)3-2-4/h3H2,1H3InChIKey=BYDHURPDSAGIKY-UHFFFAOYSA-N172.7Ex 172.69(BP est) -0.18(MP est) ----(BP exp) ----(MP exp) O=[Se](C)CC#N -0.2Pred
[Se]=C=NCOC15382150.039C3H5NOSeisoselenocyanato(methoxy)methaneN116[Se]=C=NCOCInChI=1S/C3H5NOSe/c1-5-2-4-3-6/h2H2,1H3InChIKey=UMDMRZAZGNPVPI-UHFFFAOYSA-N149.5Ex 149.47(BP est) -17.93(MP est) ----(BP exp) ----(MP exp) [Se]=C=NCOC -17.9Pred
[Se]=C1OCCN115383150.039C3H5NOSeoxazolidine-2-selenoneN116[Se]=C1OCCN1InChI=1S/C3H5NOSe/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)InChIKey=GWLYOSPGFKDZAH-UHFFFAOYSA-N193.7Ex 193.74(BP est) 29.95(MP est) ----(BP exp) ----(MP exp) [Se]=C1OCCN1 30Pred
O=C1[Se]CCN115384150.039C3H5NOSe1,3-selenazolidin-2-oneN116O=C1[Se]CCN1InChI=1S/C3H5NOSe/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=BDKPRIMCNMKYSG-UHFFFAOYSA-N282.4Ex 282.35(BP est) 88.36(MP est) ----(BP exp) ----(MP exp) O=C1[Se]CCN1 88.4Pred
[Se]=C1NCNN115385150.043C2H5N3Se1,2,4-triazolidine-3-selenoneN116[Se]=C1NCNN1InChI=1S/C2H5N3Se/c6-2-3-1-4-5-2/h4H,1H2,(H2,3,5,6)InChIKey=YPVXSDIFBPUTSC-UHFFFAOYSA-N249.5Ex 249.47(BP est) 84.33(MP est) ----(BP exp) ----(MP exp) [Se]=C1NCNN1 84.3Pred
[Se]1CNCCC115386150.083C4H9NSe1,3-selenazinaneN156[Se]1CNCCC1InChI=1S/C4H9NSe/c1-2-5-4-6-3-1/h5H,1-4H2InChIKey=CFMOAFAOERGMKR-UHFFFAOYSA-N186.8Ex 186.78(BP est) 15.76(MP est) ----(BP exp) ----(MP exp) [Se]1CNCCC1 15.8Pred
CC1[Se]CCN115387150.083C4H9NSe2-methyl-1,3-selenazolidineN156CC1[Se]CCN1InChI=1S/C4H9NSe/c1-4-5-2-3-6-4/h4-5H,2-3H2,1H3InChIKey=RTBDGLWCQNKPIU-UHFFFAOYSA-N178.9Ex 178.89(BP est) 12.13(MP est) ----(BP exp) ----(MP exp) CC1[Se]CCN1 12.1Pred
NC1(C)C[Se]C115388150.083C4H9NSe3-methylselenetan-3-amineN156NC1(C)C[Se]C1InChI=1S/C4H9NSe/c1-4(5)2-6-3-4/h2-3,5H2,1H3InChIKey=JTBDAOATRFXPTC-UHFFFAOYSA-N166.6Ex 166.63(BP est) 8.17(MP est) ----(BP exp) ----(MP exp) NC1(C)C[Se]C1 8.2Pred
[Se]=C(C)N(C)C15389150.083C4H9NSeN,N-dimethylethaneselenoamideN156[Se]=C(C)N(C)CInChI=1S/C4H9NSe/c1-4(6)5(2)3/h1-3H3InChIKey=RAEXYNFSJGRHJB-UHFFFAOYSA-N137.0Ex 136.99(BP est) -22.33(MP est) ----(BP exp) ----(MP exp) [Se]=C(C)N(C)C -22.3Pred
NC1C[Se]CC115390150.083C4H9NSetetrahydroselenophen-3-amineN156NC1C[Se]CC1InChI=1S/C4H9NSe/c5-4-1-2-6-3-4/h4H,1-3,5H2InChIKey=SXWCXHYACVVYSG-UHFFFAOYSA-N179.7Ex 179.70(BP est) 22.81(MP est) ----(BP exp) ----(MP exp) NC1C[Se]CC1 22.8Pred
NCC1C[Se]C115391150.083C4H9NSeselenetan-3-ylmethanamineN156NCC1C[Se]C1InChI=1S/C4H9NSe/c5-1-4-2-6-3-4/h4H,1-3,5H2InChIKey=PMZYFOMIZYUMNX-UHFFFAOYSA-N177.8Ex 177.78(BP est) 24.01(MP est) ----(BP exp) ----(MP exp) NCC1C[Se]C1 24Pred
C1C[Se]CCN115392150.083C4H9NSeselenomorpholineN156C1C[Se]CCN1InChI=1S/C4H9NSe/c1-3-6-4-2-5-1/h5H,1-4H2InChIKey=QKLWOBKIZPEJIO-UHFFFAOYSA-N186.8Ex 186.78(BP est) 15.76(MP est) ----(BP exp) ----(MP exp) C1C[Se]CCN1 15.8Pred
C[Se]C(F)C#C15393151.042C4H5FSe(1-fluoroprop-2-yn-1-yl)(methyl)selaneN116C[Se]C(F)C#CInChI=1S/C4H5FSe/c1-3-4(5)6-2/h1,4H,2H3InChIKey=PGZWXKCXJMGQCA-UHFFFAOYSA-N111.6Ex 111.61(BP est) -29.63(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)C#C -29.6Pred
C=C[Se]C(F)=C15394151.042C4H5FSe(1-fluorovinyl)(vinyl)selaneN116C=C[Se]C(F)=CInChI=1S/C4H5FSe/c1-3-6-4(2)5/h3H,1-2H2InChIKey=JFJLRTMTHPCRPJ-UHFFFAOYSA-N107.6Ex 107.57(BP est) -55.53(MP est) ----(BP exp) ----(MP exp) C=C[Se]C(F)=C -55.5Pred
C=C[Se]C=CF15395151.042C4H5FSe(2-fluorovinyl)(vinyl)selaneN116C=C[Se]C=CFInChI=1S/C4H5FSe/c1-2-6-4-3-5/h2-4H,1H2InChIKey=CZSAKLFJBSLPQF-UHFFFAOYSA-N122.9Ex 122.94(BP est) -45.72(MP est) ----(BP exp) ----(MP exp) C=C[Se]C=CF -45.7Pred
FCC#C[Se]C15396151.042C4H5FSe(3-fluoroprop-1-yn-1-yl)(methyl)selaneN116FCC#C[Se]CInChI=1S/C4H5FSe/c1-6-4-2-3-5/h3H2,1H3InChIKey=VQXKMWMNIAUSCA-UHFFFAOYSA-N134.2Ex 134.20(BP est) 14.03(MP est) ----(BP exp) ----(MP exp) FCC#C[Se]C 14Pred
C[Se]CC#CF15397151.042C4H5FSe(3-fluoroprop-2-yn-1-yl)(methyl)selaneN116C[Se]CC#CFInChI=1S/C4H5FSe/c1-6-4-2-3-5/h4H2,1H3InChIKey=WMCSOXDZZFOHDE-UHFFFAOYSA-N134.2Ex 134.20(BP est) 14.03(MP est) ----(BP exp) ----(MP exp) C[Se]CC#CF 14Pred
CC#C[Se]CF15398151.042C4H5FSe(fluoromethyl)(prop-1-yn-1-yl)selaneN116CC#C[Se]CFInChI=1S/C4H5FSe/c1-2-3-6-4-5/h4H2,1H3InChIKey=SJBIKMMSWBIOTA-UHFFFAOYSA-N134.2Ex 134.20(BP est) 14.03(MP est) ----(BP exp) ----(MP exp) CC#C[Se]CF 14Pred
FC[Se]CC#C15399151.042C4H5FSe(fluoromethyl)(prop-2-yn-1-yl)selaneN116FC[Se]CC#CInChI=1S/C4H5FSe/c1-2-3-6-4-5/h1H,3-4H2InChIKey=QARWBZOMIDXDPX-UHFFFAOYSA-N125.7Ex 125.66(BP est) -18.02(MP est) ----(BP exp) ----(MP exp) FC[Se]CC#C -18Pred
[SeH]C(F)CC#C15400151.042C4H5FSe1-fluorobut-3-yne-1-selenolN116[Se]([H])C(F)CC#CInChI=1S/C4H5FSe/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=QBSGUUNRZNIBPP-UHFFFAOYSA-N113.8Ex 113.78(BP est) -20.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CC#C -20.8Pred
[SeH]C(CF)C#C15401151.042C4H5FSe1-fluorobut-3-yne-2-selenolN116[Se]([H])C(CF)C#CInChI=1S/C4H5FSe/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=UVQSLXHDJKNBGJ-UHFFFAOYSA-N113.8Ex 113.78(BP est) -20.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)C#C -20.8Pred
[SeH]C1(F)C=CC115402151.042C4H5FSe1-fluorocyclobut-2-ene-1-selenolN116[Se]([H])C1(F)C=CC1InChI=1S/C4H5FSe/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=QABSPRURLGLKGH-UHFFFAOYSA-N116.5Ex 116.53(BP est) -16.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(F)C=CC1 -16.5Pred
FC(C1C[Se]1)=C15403151.042C4H5FSe2-(1-fluorovinyl)seleniraneN116FC(C1C[Se]1)=CInChI=1S/C4H5FSe/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=VIOWUTAGQKKYPP-UHFFFAOYSA-N111.2Ex 111.20(BP est) -42.86(MP est) ----(BP exp) ----(MP exp) FC(C1C[Se]1)=C -42.9Pred
FC=CC1C[Se]115404151.042C4H5FSe2-(2-fluorovinyl)seleniraneN116FC=CC1C[Se]1InChI=1S/C4H5FSe/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=HELBOBHEZYWLNV-UHFFFAOYSA-N126.5Ex 126.48(BP est) -33.08(MP est) ----(BP exp) ----(MP exp) FC=CC1C[Se]1 -33.1Pred
FC1C2(CC2)[Se]115405151.042C4H5FSe2-fluoro-1-selenaspiro[2.2]pentaneN116FC1C2(CC2)[Se]1InChI=1S/C4H5FSe/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=ZQXHJAOLSPOFFX-UHFFFAOYSA-N108.8Ex 108.79(BP est) -13.02(MP est) ----(BP exp) ----(MP exp) FC1C2(CC2)[Se]1 -13Pred
FC1(C=C)C[Se]115406151.042C4H5FSe2-fluoro-2-vinylseleniraneN116FC1(C=C)C[Se]1InChI=1S/C4H5FSe/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=VXLAPWUSGPHONU-UHFFFAOYSA-N105.2Ex 105.15(BP est) -25.70(MP est) ----(BP exp) ----(MP exp) FC1(C=C)C[Se]1 -25.7Pred
FC1C(C=C)[Se]115407151.042C4H5FSe2-fluoro-3-vinylseleniraneN116FC1C(C=C)[Se]1InChI=1S/C4H5FSe/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=GBUYDWWZKFVGFZ-UHFFFAOYSA-N110.8Ex 110.80(BP est) -38.12(MP est) ----(BP exp) ----(MP exp) FC1C(C=C)[Se]1 -38.1Pred
FC1CC2C1[Se]215408151.042C4H5FSe2-fluoro-5-selenabicyclo[2.1.0]pentaneN116FC1CC2C1[Se]2InChI=1S/C4H5FSe/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=DNIZIISAKPKHBO-UHFFFAOYSA-N114.4Ex 114.40(BP est) -25.46(MP est) ----(BP exp) ----(MP exp) FC1CC2C1[Se]2 -25.5Pred
[SeH]CC(F)C#C15409151.042C4H5FSe2-fluorobut-3-yne-1-selenolN116[Se]([H])CC(F)C#CInChI=1S/C4H5FSe/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=PDGJPBTWZPDRSZ-UHFFFAOYSA-N113.8Ex 113.78(BP est) -20.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)C#C -20.8Pred
[SeH]C(C#C)(F)C15410151.042C4H5FSe2-fluorobut-3-yne-2-selenolN116[Se]([H])C(C#C)(F)CInChI=1S/C4H5FSe/c1-3-4(2,5)6/h1,6H,2H3InChIKey=PAGIIXZRBWCTGC-UHFFFAOYSA-N104.4Ex 104.40(BP est) -14.84(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(F)C -14.8Pred
[SeH]C1C(F)=CC115411151.042C4H5FSe2-fluorocyclobut-2-ene-1-selenolN116[Se]([H])C1C(F)=CC1InChI=1S/C4H5FSe/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=HCLPXAUUHXOFEN-UHFFFAOYSA-N126.8Ex 126.78(BP est) -19.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)=CC1 -19.2Pred
[SeH]C1C=C(F)C115412151.042C4H5FSe3-fluorocyclobut-2-ene-1-selenolN116[Se]([H])C1C=C(F)C1InChI=1S/C4H5FSe/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=IXMDZTXNUGMFBW-UHFFFAOYSA-N126.8Ex 126.78(BP est) -19.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=C(F)C1 -19.2Pred
FC1C2([Se]C2)C115413151.042C4H5FSe4-fluoro-1-selenaspiro[2.2]pentaneN116FC1C2([Se]C2)C1InChI=1S/C4H5FSe/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=RPXSRZHWJOPWOJ-UHFFFAOYSA-N108.8Ex 108.79(BP est) -13.02(MP est) ----(BP exp) ----(MP exp) FC1C2([Se]C2)C1 -13Pred
[SeH]CCC#CF15414151.042C4H5FSe4-fluorobut-3-yne-1-selenolN116[Se]([H])CCC#CFInChI=1S/C4H5FSe/c5-3-1-2-4-6/h6H,2,4H2InChIKey=DNVWZJFEJVUSGK-UHFFFAOYSA-N136.3Ex 136.29(BP est) 22.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC#CF 22.8Pred
[SeH]C(C)C#CF15415151.042C4H5FSe4-fluorobut-3-yne-2-selenolN116[Se]([H])C(C)C#CFInChI=1S/C4H5FSe/c1-4(6)2-3-5/h4,6H,1H3InChIKey=YNPRRAORAKAFIG-UHFFFAOYSA-N122.5Ex 122.49(BP est) 11.30(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C#CF 11.3Pred
[SeH]C1C=CC1F15416151.042C4H5FSe4-fluorocyclobut-2-ene-1-selenolN116[Se]([H])C1C=CC1FInChI=1S/C4H5FSe/c5-3-1-2-4(3)6/h1-4,6HInChIKey=JTGBCTFJTQIFAS-UHFFFAOYSA-N122.1Ex 122.07(BP est) -28.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=CC1F -28.9Pred
O=C(C)C[Se]C15417151.067C4H8OSe1-(methylselanyl)propan-2-oneN146O=C(C)C[Se]CInChI=1S/C4H8OSe/c1-4(5)3-6-2/h3H2,1-2H3InChIKey=SJWTZOKXCSHONW-UHFFFAOYSA-N159.3Ex 159.30(BP est) -7.02(MP est) ----(BP exp) ----(MP exp) O=C(C)C[Se]C -7Pred
C1COC[Se]C115418151.067C4H8OSe1,3-oxaselenaneN146C1COC[Se]C1InChI=1S/C4H8OSe/c1-2-5-4-6-3-1/h1-4H2InChIKey=NAULUBCPKZDFIQ-UHFFFAOYSA-N158.4Ex 158.43(BP est) -11.38(MP est) ----(BP exp) ----(MP exp) C1COC[Se]C1 -11.4Pred
O1CC[Se]CC115419151.067C4H8OSe1,4-oxaselenaneN146O1CC[Se]CC1InChI=1S/C4H8OSe/c1-3-6-4-2-5-1/h1-4H2InChIKey=QSWOKQHDQIECPD-UHFFFAOYSA-N170.7Ex 158.43(BP est) -11.38(MP est) ----(BP exp) ----(MP exp) O1CC[Se]CC1 -11.4Pred
C[Se]CC1OC115420151.067C4H8OSe2-((methylselanyl)methyl)oxiraneN146C[Se]CC1OC1InChI=1S/C4H8OSe/c1-6-3-4-2-5-4/h4H,2-3H2,1H3InChIKey=CVPVXODKKYMAEV-UHFFFAOYSA-N148.1Ex 148.06(BP est) -13.01(MP est) ----(BP exp) ----(MP exp) C[Se]CC1OC1 -13Pred
CC[Se]CC=O15421151.067C4H8OSe2-(ethylselanyl)acetaldehydeN146CC[Se]CC=OInChI=1S/C4H8OSe/c1-2-6-4-3-5/h3H,2,4H2,1H3InChIKey=KZRYGVIMKNIUED-UHFFFAOYSA-N171.8Ex 171.76(BP est) -7.35(MP est) ----(BP exp) ----(MP exp) CC[Se]CC=O -7.4Pred
OCC[Se]C=C15422151.067C4H8OSe2-(vinylselanyl)ethan-1-olN146OCC[Se]C=CInChI=1S/C4H8OSe/c1-2-6-4-3-5/h2,5H,1,3-4H2InChIKey=WXUAWPZBTMOJPR-UHFFFAOYSA-N195.2Ex 195.19(BP est) 8.02(MP est) ----(BP exp) ----(MP exp) OCC[Se]C=C 8Pred
C[Se]C1COC115423151.067C4H8OSe3-(methylselanyl)oxetaneN146C[Se]C1COC1InChI=1S/C4H8OSe/c1-6-4-2-5-3-4/h4H,2-3H2,1H3InChIKey=LAQBTVDHPYXLSD-UHFFFAOYSA-N150.1Ex 150.08(BP est) -14.18(MP est) ----(BP exp) ----(MP exp) C[Se]C1COC1 -14.2Pred
O=CCC[Se]C15424151.067C4H8OSe3-(methylselanyl)propanalN146O=CCC[Se]CInChI=1S/C4H8OSe/c1-6-4-2-3-5/h3H,2,4H2,1H3InChIKey=XVQREFPMZFWTJZ-UHFFFAOYSA-N171.8Ex 171.76(BP est) -7.35(MP est) ----(BP exp) ----(MP exp) O=CCC[Se]C -7.4Pred
[SeH]C(C(C)=O)C15425151.067C4H8OSe3-hydroselenobutan-2-oneN146[Se]([H])C(C(C)=O)CInChI=1S/C4H8OSe/c1-3(5)4(2)6/h4,6H,1-2H3InChIKey=VCSGCSYUVZDMGS-UHFFFAOYSA-N148.1Ex 148.12(BP est) -9.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(C)=O)C -9.6Pred
COC1C[Se]C115426151.067C4H8OSe3-methoxyselenetaneN146COC1C[Se]C1InChI=1S/C4H8OSe/c1-5-4-2-6-3-4/h4H,2-3H2,1H3InChIKey=JJSDKTZNKLTRLM-UHFFFAOYSA-N142.9Ex 142.91(BP est) -16.68(MP est) ----(BP exp) ----(MP exp) COC1C[Se]C1 -16.7Pred
[Se]=C(C)OCC15427151.067C4H8OSeO-ethyl ethaneselenoateN146[Se]=C(C)OCCInChI=1S/C4H8OSe/c1-3-5-4(2)6/h3H2,1-2H3InChIKey=VJRFKTPRVTVJIG-UHFFFAOYSA-N138.5Ex 138.50(BP est) -27.01(MP est) ----(BP exp) ----(MP exp) [Se]=C(C)OCC -27Pred
CC([Se]CC)=O15428151.067C4H8OSeSe-ethyl ethaneselenoateN146CC([Se]CC)=OInChI=1S/C4H8OSe/c1-3-6-4(2)5/h3H2,1-2H3InChIKey=MOFKJLRWIGHLSB-UHFFFAOYSA-N159.3Ex 159.30(BP est) -7.02(MP est) ----(BP exp) ----(MP exp) CC([Se]CC)=O -7Pred
O=C([Se]C)CC15429151.067C4H8OSeSe-methyl propaneselenoateN146O=C([Se]C)CCInChI=1S/C4H8OSe/c1-3-4(5)6-2/h3H2,1-2H3InChIKey=DOFDJMNEQQCXDW-UHFFFAOYSA-N159.3Ex 159.30(BP est) -7.02(MP est) ----(BP exp) ----(MP exp) O=C([Se]C)CC -7Pred
OC1C[Se]CC115430151.067C4H8OSetetrahydroselenophen-3-olN146OC1C[Se]CC1InChI=1S/C4H8OSe/c5-4-1-2-6-3-4/h4-5H,1-3H2InChIKey=VJHOOWDIRWEKCW-UHFFFAOYSA-N195.5Ex 195.45(BP est) 16.19(MP est) ----(BP exp) ----(MP exp) OC1C[Se]CC1 16.2Pred
O=[Se]1CCCC115431151.067C4H8OSetetrahydroselenophene 1-oxideN146O=[Se]1CCCC1InChI=1S/C4H8OSe/c5-6-3-1-2-4-6/h1-4H2InChIKey=KXMIGWHUUDAICG-UHFFFAOYSA-N118.0Ex 117.99(BP est) -33.67(MP est) ----(BP exp) ----(MP exp) O=[Se]1CCCC1 -33.7Pred
OCC1C[Se]C115432151.067C4H8OSeselenetan-3-ylmethanolN146OCC1C[Se]C1InChI=1S/C4H8OSe/c5-1-4-2-6-3-4/h4-5H,1-3H2InChIKey=IAEJPFJNMFJWPX-UHFFFAOYSA-N200.1Ex 200.09(BP est) 19.31(MP est) ----(BP exp) ----(MP exp) OCC1C[Se]C1 19.3Pred
CNC(NC)=[Se]15433151.071C3H8N2Se1,3-dimethylselenoureaN146CNC(NC)=[Se]InChI=1S/C3H8N2Se/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)InChIKey=YLTPDHHVGWRTMR-UHFFFAOYSA-N175.5Ex 175.50(BP est) 19.71(MP est) ----(BP exp) ----(MP exp) CNC(NC)=[Se] 19.7Pred
C[Se]C=C(N)N15434151.071C3H8N2Se2-(methylselanyl)ethene-1,1-diamineN146C[Se]C=C(N)NInChI=1S/C3H8N2Se/c1-6-2-3(4)5/h2H,4-5H2,1H3InChIKey=WPHIJAVXCUIMFM-UHFFFAOYSA-N208.4Ex 208.43(BP est) 29.25(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(N)N 29.3Pred
CC[Se]C(N)=N15435151.071C3H8N2Seethyl carbamimidoselenoateN146CC[Se]C(N)=NInChI=1S/C3H8N2Se/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)InChIKey=FFKYNFXDBBLWGF-UHFFFAOYSA-N214.6Ex 214.59(BP est) 33.09(MP est) ----(BP exp) ----(MP exp) CC[Se]C(N)=N 33.1Pred
C[Se]C(NC)=N15436151.071C3H8N2Semethyl methylcarbamimidoselenoateN146C[Se]C(NC)=NInChI=1S/C3H8N2Se/c1-5-3(4)6-2/h1-2H3,(H2,4,5)InChIKey=QUKSKLWTXVSHJR-UHFFFAOYSA-N199.3Ex 199.27(BP est) 24.08(MP est) ----(BP exp) ----(MP exp) C[Se]C(NC)=N 24.1Pred
C1[Se]C=C[Se]115437197.985C3H4Se21,3-diselenoleN95C1[Se]C=C[Se]1InChI=1S/C3H4Se2/c1-2-5-3-4-1/h1-2H,3H2InChIKey=MJJKZYSKOSTRIJ-UHFFFAOYSA-N189.6Ex 189.56(BP est) 19.13(MP est) ----(BP exp) ----(MP exp) C1[Se]C=C[Se]1 19.1Pred
C1C=C[Se][Se]115438197.985C3H4Se23H-1,2-diselenoleN95C1C=C[Se][Se]1InChI=1S/C3H4Se2/c1-2-4-5-3-1/h1-2H,3H2InChIKey=GHIAGEOCQFIEQP-UHFFFAOYSA-N189.6Ex 189.56(BP est) 19.13(MP est) ----(BP exp) ----(MP exp) C1C=C[Se][Se]1 19.1Pred
[Se]=CCC=[Se]15439197.985C3H4Se2propanediselenalN95[Se]=CCC=[Se]InChI=1S/C3H4Se2/c4-2-1-3-5/h2-3H,1H2InChIKey=JMXCLCGDKUDTHH-UHFFFAOYSA-N187.6Ex 187.55(BP est) 19.92(MP est) ----(BP exp) ----(MP exp) [Se]=CCC=[Se] 19.9Pred
[SeH]CC(C)(C)C15440151.111C5H12Se2,2-dimethylpropane-1-selenolN186[Se]([H])CC(C)(C)CInChI=1S/C5H12Se/c1-5(2,3)4-6/h6H,4H2,1-3H3InChIKey=SMAHKNUQZLXYLW-UHFFFAOYSA-N117.4Ex 117.41(BP est) -29.18(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(C)C -29.2Pred
[SeH]CC(CC)C15441151.111C5H12Se2-methylbutane-1-selenolN186[Se]([H])CC(CC)CInChI=1S/C5H12Se/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3InChIKey=GCZBYLZQXJDYSS-UHFFFAOYSA-N126.6Ex 126.60(BP est) -35.21(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(CC)C -35.2Pred
[SeH]C(C)(C)CC15442151.111C5H12Se2-methylbutane-2-selenolN186[Se]([H])C(C)(C)CCInChI=1S/C5H12Se/c1-4-5(2,3)6/h6H,4H2,1-3H3InChIKey=JDLMGIYNBGSUKQ-UHFFFAOYSA-N117.4Ex 117.41(BP est) -29.18(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(C)CC -29.2Pred
[SeH]CCC(C)C15443151.111C5H12Se3-methylbutane-1-selenolN186[Se]([H])CCC(C)CInChI=1S/C5H12Se/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3InChIKey=DJZQMQCOOQQMGU-UHFFFAOYSA-N126.6Ex 126.60(BP est) -35.21(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(C)C -35.2Pred
[SeH]C(C(C)C)C15444151.111C5H12Se3-methylbutane-2-selenolN186[Se]([H])C(C(C)C)CInChI=1S/C5H12Se/c1-4(2)5(3)6/h4-6H,1-3H3InChIKey=DBSZQCLCBYMYKZ-UHFFFAOYSA-N112.6Ex 112.57(BP est) -46.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(C)C)C -46.8Pred
C[Se]CCCC15445151.111C5H12Sebutyl(methyl)selaneN186C[Se]CCCCInChI=1S/C5H12Se/c1-3-4-5-6-2/h3-5H2,1-2H3InChIKey=GICWJMKTLAKSRB-UHFFFAOYSA-N141.0Ex 138.22(BP est) -32.50(MP est) ----(BP exp) ----(MP exp) C[Se]CCCC -32.5Pred
CC[Se]C(C)C15446151.111C5H12Seethyl(isopropyl)selaneN186CC[Se]C(C)CInChI=1S/C5H12Se/c1-4-6-5(2)3/h5H,4H2,1-3H3InChIKey=DSTGCDARRBXIFS-UHFFFAOYSA-N124.5Ex 124.47(BP est) -44.02(MP est) ----(BP exp) ----(MP exp) CC[Se]C(C)C -44Pred
CC[Se]CCC15447151.111C5H12Seethyl(propyl)selaneN186CC[Se]CCCInChI=1S/C5H12Se/c1-3-5-6-4-2/h3-5H2,1-2H3InChIKey=OFWXTSVCOIPRMP-UHFFFAOYSA-N138.2Ex 138.22(BP est) -32.50(MP est) ----(BP exp) ----(MP exp) CC[Se]CCC -32.5Pred
C[Se]CC(C)C15448151.111C5H12Seisobutyl(methyl)selaneN186C[Se]CC(C)CInChI=1S/C5H12Se/c1-5(2)4-6-3/h5H,4H2,1-3H3InChIKey=RHPAPSPYNSELLV-UHFFFAOYSA-N124.5Ex 124.47(BP est) -44.02(MP est) ----(BP exp) ----(MP exp) C[Se]CC(C)C -44Pred
[SeH]CCCCC15449151.111C5H12Sepentane-1-selenolN186[Se]([H])CCCCCInChI=1S/C5H12Se/c1-2-3-4-5-6/h6H,2-5H2,1H3InChIKey=YLRPRLLCYVALHJ-UHFFFAOYSA-N140.3Ex 140.30(BP est) -23.71(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCC -23.7Pred
[SeH]C(CCC)C15450151.111C5H12Sepentane-2-selenolN186[Se]([H])C(CCC)CInChI=1S/C5H12Se/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3InChIKey=QOVNCUSEGYSAJF-UHFFFAOYSA-N126.6Ex 126.60(BP est) -35.21(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCC)C -35.2Pred
[SeH]C(CC)CC15451151.111C5H12Sepentane-3-selenolN186[Se]([H])C(CC)CCInChI=1S/C5H12Se/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3InChIKey=SEYURJUJSRSVKZ-UHFFFAOYSA-N126.6Ex 126.60(BP est) -35.21(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)CC -35.2Pred
C[Se]C(CC)C15452151.111C5H12Sesec-butyl(methyl)selaneN186C[Se]C(CC)CInChI=1S/C5H12Se/c1-4-5(2)6-3/h5H,4H2,1-3H3InChIKey=PFVGZGHOMPPJME-UHFFFAOYSA-N124.5Ex 124.47(BP est) -44.02(MP est) ----(BP exp) ----(MP exp) C[Se]C(CC)C -44Pred
C[Se]C(C)(C)C15453151.111C5H12Setert-butyl(methyl)selaneN186C[Se]C(C)(C)CInChI=1S/C5H12Se/c1-5(2,3)6-4/h1-4H3InChIKey=CFMWBFIJTRSMOF-UHFFFAOYSA-N115.3Ex 115.25(BP est) -38.00(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(C)C -38Pred
[Se]=C=C15454104.998C2H2SeetheneselenoneN53[Se]=C=CInChI=1S/C2H2Se/c1-2-3/h1H2InChIKey=MXUFOARWKQCVKW-UHFFFAOYSA-N65.1Ex 65.10(BP est) -58.93(MP est) ----(BP exp) ----(MP exp) [Se]=C=C -58.9Pred
O=C(N)C[Se]C15455152.055C3H7NOSe2-(methylselanyl)acetamideN136O=C(N)C[Se]CInChI=1S/C3H7NOSe/c1-6-2-3(4)5/h2H2,1H3,(H2,4,5)InChIKey=QBPQDVDBLUPIHT-UHFFFAOYSA-N267.4Ex 267.39(BP est) 76.98(MP est) ----(BP exp) ----(MP exp) O=C(N)C[Se]C 77Pred
[SeH]CC(NC)=O15456152.055C3H7NOSe2-hydroseleno-N-methylacetamideN136[Se]([H])CC(NC)=OInChI=1S/C3H7NOSe/c1-4-3(5)2-6/h6H,2H2,1H3,(H,4,5)InChIKey=ZZJGMKHRZYFPPY-UHFFFAOYSA-N263.7Ex 263.74(BP est) 74.13(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(NC)=O 74.1Pred
[SeH]CC(C)N=O15457152.055C3H7NOSe2-nitrosopropane-1-selenolN136[Se]([H])CC(C)N=OInChI=1S/C3H7NOSe/c1-3(2-6)4-5/h3,6H,2H2,1H3InChIKey=YOWAPCQBHIXQLE-UHFFFAOYSA-N111.9Ex 111.90(BP est) 4.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)N=O 4.9Pred
[SeH]CCC(N)=O15458152.055C3H7NOSe3-hydroselenopropanamideN136[Se]([H])CCC(N)=OInChI=1S/C3H7NOSe/c4-3(5)1-2-6/h6H,1-2H2,(H2,4,5)InChIKey=QGJKCHLBBGWPEH-UHFFFAOYSA-N268.9Ex 268.92(BP est) 81.74(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(N)=O 81.7Pred
[Se]=C(NC)NN15459152.059C2H7N3SeN-methylhydrazinecarboselenoamideN136[Se]=C(NC)NNInChI=1S/C2H7N3Se/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)InChIKey=VWVYOWQYVXPQMY-UHFFFAOYSA-N208.9Ex 208.94(BP est) 36.90(MP est) ----(BP exp) ----(MP exp) [Se]=C(NC)NN 36.9Pred
C1N=C[Se][Se]115460198.973C2H3NSe23H-1,2,4-diselenazoleN85C1N=C[Se][Se]1InChI=1S/C2H3NSe2/c1-3-2-5-4-1/h1H,2H2InChIKey=UVULJJRPLXIEFP-UHFFFAOYSA-N202.4Ex 202.43(BP est) 34.31(MP est) ----(BP exp) ----(MP exp) C1N=C[Se][Se]1 34.3Pred
[Se]=CNC=[Se]15461198.973C2H3NSe2N-selenoformylmethaneselenoamideN85[Se]=CNC=[Se]InChI=1S/C2H3NSe2/c4-1-3-2-5/h1-2H,(H,3,4,5)InChIKey=WPLRNFJEZZUUQO-UHFFFAOYSA-N205.0Ex 205.01(BP est) 31.90(MP est) ----(BP exp) ----(MP exp) [Se]=CNC=[Se] 31.9Pred
NC(C)C[Se]C15462152.099C4H11NSe1-(methylselanyl)propan-2-amineN176NC(C)C[Se]CInChI=1S/C4H11NSe/c1-4(5)3-6-2/h4H,3,5H2,1-2H3InChIKey=CDAPKKMJVWROJD-UHFFFAOYSA-N161.4Ex 161.36(BP est) 2.75(MP est) ----(BP exp) ----(MP exp) NC(C)C[Se]C 2.8Pred
[SeH]CCN(C)C15463152.099C4H11NSe2-(dimethylamino)ethane-1-selenolN176[Se]([H])CCN(C)CInChI=1S/C4H11NSe/c1-5(2)3-4-6/h6H,3-4H2,1-2H3InChIKey=DIIOWUSRPSUBTN-UHFFFAOYSA-N139.7Ex 139.67(BP est) -13.29(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCN(C)C -13.3Pred
NCC[Se]CC15464152.099C4H11NSe2-(ethylselanyl)ethan-1-amineN176NCC[Se]CCInChI=1S/C4H11NSe/c1-2-6-4-3-5/h2-5H2,1H3InChIKey=VBKIUXKKLWZGSN-UHFFFAOYSA-N174.2Ex 174.22(BP est) 14.00(MP est) ----(BP exp) ----(MP exp) NCC[Se]CC 14Pred
NCC(C)[Se]C15465152.099C4H11NSe2-(methylselanyl)propan-1-amineN176NCC(C)[Se]CInChI=1S/C4H11NSe/c1-4(3-5)6-2/h4H,3,5H2,1-2H3InChIKey=UDEIRLPDTQQAPJ-UHFFFAOYSA-N161.4Ex 161.36(BP est) 2.75(MP est) ----(BP exp) ----(MP exp) NCC(C)[Se]C 2.8Pred
[SeH]CC(CC)N15466152.099C4H11NSe2-aminobutane-1-selenolN176[Se]([H])CC(CC)NInChI=1S/C4H11NSe/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3InChIKey=FJVZZBALOGSSQK-UHFFFAOYSA-N163.4Ex 163.36(BP est) 11.52(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(CC)N 11.5Pred
NCCC[Se]C15467152.099C4H11NSe3-(methylselanyl)propan-1-amineN176NCCC[Se]CInChI=1S/C4H11NSe/c1-6-4-2-3-5/h2-5H2,1H3InChIKey=KJMJORZXQIFLLD-UHFFFAOYSA-N174.2Ex 174.22(BP est) 14.00(MP est) ----(BP exp) ----(MP exp) NCCC[Se]C 14Pred
CN(C)C[Se]C15468152.099C4H11NSeN,N-dimethyl-1-(methylselanyl)methanamineN176CN(C)C[Se]CInChI=1S/C4H11NSe/c1-5(2)4-6-3/h4H2,1-3H3InChIKey=PHPZIMOFSYHWFI-UHFFFAOYSA-N137.6Ex 137.59(BP est) -22.09(MP est) ----(BP exp) ----(MP exp) CN(C)C[Se]C -22.1Pred
CNCC[Se]C15469152.099C4H11NSeN-methyl-2-(methylselanyl)ethan-1-amineN176CNCC[Se]CInChI=1S/C4H11NSe/c1-5-3-4-6-2/h5H,3-4H2,1-2H3InChIKey=UIGSTJNGGAQDQQ-UHFFFAOYSA-N157.5Ex 157.48(BP est) -6.18(MP est) ----(BP exp) ----(MP exp) CNCC[Se]C -6.2Pred
O=C(O)C[Se]C15471153.039C3H6O2Se2-(methylselanyl)acetic acidN126O=C(O)C[Se]CInChI=1S/C3H6O2Se/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)InChIKey=UOULLTHLSZQUIN-UHFFFAOYSA-N223.1Ex 223.13(BP est) 38.97(MP est) ----(BP exp) ----(MP exp) O=C(O)C[Se]C 39Pred
[SeH]C(C)C(O)=O15472153.039C3H6O2Se2-hydroselenopropanoic acidN126[Se]([H])C(C)C(O)=OInChI=1S/C3H6O2Se/c1-2(6)3(4)5/h2,6H,1H3,(H,4,5)InChIKey=STDCMTKIYFGIDF-UHFFFAOYSA-N213.4Ex 213.40(BP est) 35.05(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(O)=O 35.1Pred
[SeH]C(C=O)CO15473153.039C3H6O2Se2-hydroseleno-3-hydroxypropanalN126[Se]([H])C(C=O)COInChI=1S/C3H6O2Se/c4-1-3(6)2-5/h1,3,5-6H,2H2InChIKey=ZYXSIIFYYQCHMG-UHFFFAOYSA-N216.8Ex 216.77(BP est) 31.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=O)CO 31.3Pred
O=C(O)CC[SeH]15474153.039C3H6O2Se3-hydroselenopropanoic acidN126O=C(O)CC[Se]([H])InChI=1S/C3H6O2Se/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)InChIKey=DGRAMMLRUJGIJS-UHFFFAOYSA-N224.9Ex 224.87(BP est) 43.82(MP est) ----(BP exp) ----(MP exp) O=C(O)CC[Se]([H]) 43.8Pred
[SeH]CC(OC)=O15475153.039C3H6O2Semethyl 2-hydroselenoacetateN126[Se]([H])CC(OC)=OInChI=1S/C3H6O2Se/c1-5-3(4)2-6/h6H,2H2,1H3InChIKey=JDTGJEJMIZCZIM-UHFFFAOYSA-N146.0Ex 146.01(BP est) -12.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(OC)=O -12.2Pred
O=C([SeH])N(N)C15476153.043C2H6N2OSe1-methylhydrazine-1-carboselenoic Se-acidN126O=C([Se]([H]))N(N)CInChI=1S/C2H6N2OSe/c1-4(3)2(5)6/h3H2,1H3,(H,5,6)InChIKey=IWUZCYWOPULLRW-UHFFFAOYSA-N231.4Ex 231.36(BP est) 53.11(MP est) ----(BP exp) ----(MP exp) O=C([Se]([H]))N(N)C 53.1Pred
[SeH]CC(NN)=O15477153.043C2H6N2OSe2-hydroselenoacetohydrazideN126[Se]([H])CC(NN)=OInChI=1S/C2H6N2OSe/c3-4-2(5)1-6/h6H,1,3H2,(H,4,5)InChIKey=ROBHGBMWJCQXHD-UHFFFAOYSA-N290.2Ex 290.21(BP est) 103.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(NN)=O 103.7Pred
O=NNCC[SeH]15478153.043C2H6N2OSeN-(2-hydroselenoethyl)nitrous amideN126O=NNCC[Se]([H])InChI=1S/C2H6N2OSe/c5-4-3-1-2-6/h6H,1-2H2,(H,3,5)InChIKey=NJHMZHMHJOFZJN-UHFFFAOYSA-N145.6Ex 145.63(BP est) 7.16(MP est) ----(BP exp) ----(MP exp) O=NNCC[Se]([H]) 7.2Pred
[Se]=C(NN)NN15479153.047CH6N4SehydrazinecarboselenohydrazideN126[Se]=C(NN)NNInChI=1S/CH6N4Se/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)InChIKey=WNCYRGHLIFUZEF-UHFFFAOYSA-N239.9Ex 239.92(BP est) 68.46(MP est) ----(BP exp) ----(MP exp) [Se]=C(NN)NN 68.5Pred
C[Se]C(F)C=C15480153.058C4H7FSe(1-fluoroallyl)(methyl)selaneN136C[Se]C(F)C=CInChI=1S/C4H7FSe/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=ZYGAVYYAXRDEFL-UHFFFAOYSA-N101.5Ex 101.48(BP est) -56.95(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)C=C -57Pred
C[Se]C1(F)CC115481153.058C4H7FSe(1-fluorocyclopropyl)(methyl)selaneN136C[Se]C1(F)CC1InChI=1S/C4H7FSe/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=NLHUNROHAVJZQR-UHFFFAOYSA-N109.1Ex 109.11(BP est) -25.42(MP est) ----(BP exp) ----(MP exp) C[Se]C1(F)CC1 -25.4Pred
[SeH]CC1(F)CC115482153.058C4H7FSe(1-fluorocyclopropyl)methaneselenolN136[Se]([H])CC1(F)CC1InChI=1S/C4H7FSe/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=ONVVWZWLRWDKDA-UHFFFAOYSA-N111.3Ex 111.29(BP est) -16.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1(F)CC1 -16.6Pred
FC(C)[Se]C=C15483153.058C4H7FSe(1-fluoroethyl)(vinyl)selaneN136FC(C)[Se]C=CInChI=1S/C4H7FSe/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=LCPYRYLVFQSGCY-UHFFFAOYSA-N101.5Ex 101.48(BP est) -56.95(MP est) ----(BP exp) ----(MP exp) FC(C)[Se]C=C -57Pred
C[Se]C(F)=CC15484153.058C4H7FSe(1-fluoroprop-1-en-1-yl)(methyl)selaneN136C[Se]C(F)=CCInChI=1S/C4H7FSe/c1-3-4(5)6-2/h3H,1-2H3InChIKey=IVFSIPSNAAYZDR-UHFFFAOYSA-N118.3Ex 118.34(BP est) -53.17(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)=CC -53.2Pred
C[Se]C(C)=CF15485153.058C4H7FSe(1-fluoroprop-1-en-2-yl)(methyl)selaneN136C[Se]C(C)=CFInChI=1S/C4H7FSe/c1-4(3-5)6-2/h3H,1-2H3InChIKey=HOXWDFRFUKJGJY-UHFFFAOYSA-N118.3Ex 118.34(BP est) -53.17(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)=CF -53.2Pred
C[Se]CC(F)=C15486153.058C4H7FSe(2-fluoroallyl)(methyl)selaneN136C[Se]CC(F)=CInChI=1S/C4H7FSe/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=BUHUOHQKPOJQFC-UHFFFAOYSA-N109.3Ex 109.34(BP est) -54.13(MP est) ----(BP exp) ----(MP exp) C[Se]CC(F)=C -54.1Pred
C[Se]C1C(F)C115487153.058C4H7FSe(2-fluorocyclopropyl)(methyl)selaneN136C[Se]C1C(F)C1InChI=1S/C4H7FSe/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=BJKWVVYEGVDJMY-UHFFFAOYSA-N114.7Ex 114.71(BP est) -37.86(MP est) ----(BP exp) ----(MP exp) C[Se]C1C(F)C1 -37.9Pred
[SeH]CC1C(F)C115488153.058C4H7FSe(2-fluorocyclopropyl)methaneselenolN136[Se]([H])CC1C(F)C1InChI=1S/C4H7FSe/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=ZOCKKUMOJPXLSI-UHFFFAOYSA-N116.9Ex 116.88(BP est) -29.04(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1C(F)C1 -29Pred
FCC[Se]C=C15489153.058C4H7FSe(2-fluoroethyl)(vinyl)selaneN136FCC[Se]C=CInChI=1S/C4H7FSe/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=SQRVSLNTPIXMCB-UHFFFAOYSA-N115.8Ex 115.77(BP est) -45.28(MP est) ----(BP exp) ----(MP exp) FCC[Se]C=C -45.3Pred
C[Se]C=C(F)C15490153.058C4H7FSe(2-fluoroprop-1-en-1-yl)(methyl)selaneN136C[Se]C=C(F)CInChI=1S/C4H7FSe/c1-4(5)3-6-2/h3H,1-2H3InChIKey=VQDOFSUHTUKQHV-UHFFFAOYSA-N118.3Ex 118.34(BP est) -53.17(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(F)C -53.2Pred
C[Se]CC=CF15491153.058C4H7FSe(3-fluoroallyl)(methyl)selaneN136C[Se]CC=CFInChI=1S/C4H7FSe/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=NGDHJUGTOBPXBU-UHFFFAOYSA-N124.7Ex 124.67(BP est) -44.34(MP est) ----(BP exp) ----(MP exp) C[Se]CC=CF -44.3Pred
C[Se]C=CCF15492153.058C4H7FSe(3-fluoroprop-1-en-1-yl)(methyl)selaneN136C[Se]C=CCFInChI=1S/C4H7FSe/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=XIGYIFVYCSUEBS-UHFFFAOYSA-N124.7Ex 124.67(BP est) -44.34(MP est) ----(BP exp) ----(MP exp) C[Se]C=CCF -44.3Pred
C[Se]C(CF)=C15493153.058C4H7FSe(3-fluoroprop-1-en-2-yl)(methyl)selaneN136C[Se]C(CF)=CInChI=1S/C4H7FSe/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=YFPMXRKNTASSQY-UHFFFAOYSA-N109.3Ex 109.34(BP est) -54.13(MP est) ----(BP exp) ----(MP exp) C[Se]C(CF)=C -54.1Pred
FC[Se]C=CC15494153.058C4H7FSe(fluoromethyl)(prop-1-en-1-yl)selaneN136FC[Se]C=CCInChI=1S/C4H7FSe/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=NEDZLYXFRMSYOG-UHFFFAOYSA-N124.7Ex 124.67(BP est) -44.34(MP est) ----(BP exp) ----(MP exp) FC[Se]C=CC -44.3Pred
FC[Se]C(C)=C15495153.058C4H7FSe(fluoromethyl)(prop-1-en-2-yl)selaneN136FC[Se]C(C)=CInChI=1S/C4H7FSe/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=IQJWIJSJNVPNRT-UHFFFAOYSA-N109.3Ex 109.34(BP est) -54.13(MP est) ----(BP exp) ----(MP exp) FC[Se]C(C)=C -54.1Pred
[SeH]C1(CF)CC115496153.058C4H7FSe1-(fluoromethyl)cyclopropane-1-selenolN136[Se]([H])C1(CF)CC1InChI=1S/C4H7FSe/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=JSTUZDGJSSXLID-UHFFFAOYSA-N111.3Ex 111.29(BP est) -16.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(CF)CC1 -16.6Pred
[SeH]C(F)CC=C15497153.058C4H7FSe1-fluorobut-3-ene-1-selenolN136[Se]([H])C(F)CC=CInChI=1S/C4H7FSe/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=ZSJSOHRHMVKNQC-UHFFFAOYSA-N103.7Ex 103.70(BP est) -48.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CC=C -48.1Pred
[SeH]C(CF)C=C15498153.058C4H7FSe1-fluorobut-3-ene-2-selenolN136[Se]([H])C(CF)C=CInChI=1S/C4H7FSe/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=QJLHBMWHIUTVHT-UHFFFAOYSA-N103.7Ex 103.70(BP est) -48.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)C=C -48.1Pred
[SeH]C1(F)CCC115499153.058C4H7FSe1-fluorocyclobutane-1-selenolN136[Se]([H])C1(F)CCC1InChI=1S/C4H7FSe/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=IEZOOCXQFOUTKV-UHFFFAOYSA-N113.5Ex 113.45(BP est) -17.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(F)CCC1 -17.7Pred
FC(C)C1C[Se]115500153.058C4H7FSe2-(1-fluoroethyl)seleniraneN136FC(C)C1C[Se]1InChI=1S/C4H7FSe/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=FCQGLYPUZPVOBK-UHFFFAOYSA-N105.1Ex 105.14(BP est) -44.27(MP est) ----(BP exp) ----(MP exp) FC(C)C1C[Se]1 -44.3Pred
FCCC1C[Se]115501153.058C4H7FSe2-(2-fluoroethyl)seleniraneN136FCCC1C[Se]1InChI=1S/C4H7FSe/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=VWIITJDRLCCCAW-UHFFFAOYSA-N119.4Ex 119.35(BP est) -32.62(MP est) ----(BP exp) ----(MP exp) FCCC1C[Se]1 -32.6Pred
CC1(CF)C[Se]115502153.058C4H7FSe2-(fluoromethyl)-2-methylseleniraneN136CC1(CF)C[Se]1InChI=1S/C4H7FSe/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=SUOUOYPARLDEED-UHFFFAOYSA-N106.9Ex 106.93(BP est) -24.30(MP est) ----(BP exp) ----(MP exp) CC1(CF)C[Se]1 -24.3Pred
CC1C(CF)[Se]115503153.058C4H7FSe2-(fluoromethyl)-3-methylseleniraneN136CC1C(CF)[Se]1InChI=1S/C4H7FSe/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=JSCQYDGVTHIWDA-UHFFFAOYSA-N112.6Ex 112.56(BP est) -36.72(MP est) ----(BP exp) ----(MP exp) CC1C(CF)[Se]1 -36.7Pred
FCC1[Se]CC115504153.058C4H7FSe2-(fluoromethyl)selenetaneN136FCC1[Se]CC1InChI=1S/C4H7FSe/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=GUYMGEBYLHVDCF-UHFFFAOYSA-N121.5Ex 121.48(BP est) -33.76(MP est) ----(BP exp) ----(MP exp) FCC1[Se]CC1 -33.8Pred
FC1(CC)C[Se]115505153.058C4H7FSe2-ethyl-2-fluoroseleniraneN136FC1(CC)C[Se]1InChI=1S/C4H7FSe/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=SNRUQZVPHFSQHE-UHFFFAOYSA-N106.9Ex 106.93(BP est) -24.30(MP est) ----(BP exp) ----(MP exp) FC1(CC)C[Se]1 -24.3Pred
FC1C(CC)[Se]115506153.058C4H7FSe2-ethyl-3-fluoroseleniraneN136FC1C(CC)[Se]1InChI=1S/C4H7FSe/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=XGCISAWWLQTOQL-UHFFFAOYSA-N112.6Ex 112.56(BP est) -36.72(MP est) ----(BP exp) ----(MP exp) FC1C(CC)[Se]1 -36.7Pred
[SeH]C1(C)C(F)C115507153.058C4H7FSe2-fluoro-1-methylcyclopropane-1-selenolN136[Se]([H])C1(C)C(F)C1InChI=1S/C4H7FSe/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=QYCHTWDJDCNHMD-UHFFFAOYSA-N104.4Ex 104.42(BP est) -20.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C)C(F)C1 -20.7Pred
CC1C(C)(F)[Se]115508153.058C4H7FSe2-fluoro-2,3-dimethylseleniraneN136CC1C(C)(F)[Se]1InChI=1S/C4H7FSe/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=ZNIOWJCRFHUKJW-UHFFFAOYSA-N100.0Ex 100.01(BP est) -28.44(MP est) ----(BP exp) ----(MP exp) CC1C(C)(F)[Se]1 -28.4Pred
FC1(C)[Se]CC115509153.058C4H7FSe2-fluoro-2-methylselenetaneN136FC1(C)[Se]CC1InChI=1S/C4H7FSe/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=LVOZEJYUMVHIBU-UHFFFAOYSA-N109.1Ex 109.11(BP est) -25.42(MP est) ----(BP exp) ----(MP exp) FC1(C)[Se]CC1 -25.4Pred
FC1[Se]CC1C15510153.058C4H7FSe2-fluoro-3-methylselenetaneN136FC1[Se]CC1CInChI=1S/C4H7FSe/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=MYFBOGBBTRBFRF-UHFFFAOYSA-N114.7Ex 114.71(BP est) -37.86(MP est) ----(BP exp) ----(MP exp) FC1[Se]CC1C -37.9Pred
FC1CC(C)[Se]115511153.058C4H7FSe2-fluoro-4-methylselenetaneN136FC1CC(C)[Se]1InChI=1S/C4H7FSe/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=DCABQCHUZJOUEU-UHFFFAOYSA-N114.7Ex 114.71(BP est) -37.86(MP est) ----(BP exp) ----(MP exp) FC1CC(C)[Se]1 -37.9Pred
[SeH]CC(F)C=C15512153.058C4H7FSe2-fluorobut-3-ene-1-selenolN136[Se]([H])CC(F)C=CInChI=1S/C4H7FSe/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=PPVNYKWCNDQDSM-UHFFFAOYSA-N103.7Ex 103.70(BP est) -48.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)C=C -48.1Pred
[SeH]C(C=C)(F)C15513153.058C4H7FSe2-fluorobut-3-ene-2-selenolN136[Se]([H])C(C=C)(F)CInChI=1S/C4H7FSe/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=CSISOFCQXWTLRQ-UHFFFAOYSA-N94.2Ex 94.16(BP est) -42.19(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(F)C -42.2Pred
[SeH]C1C(F)CC115514153.058C4H7FSe2-fluorocyclobutane-1-selenolN136[Se]([H])C1C(F)CC1InChI=1S/C4H7FSe/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=LDILMKXHJKIXSI-UHFFFAOYSA-N119.0Ex 119.02(BP est) -30.17(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)CC1 -30.2Pred
FC1CCC[Se]115515153.058C4H7FSe2-fluorotetrahydroselenopheneN136FC1CCC[Se]1InChI=1S/C4H7FSe/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=OAKVERVSWJORCH-UHFFFAOYSA-N123.6Ex 123.60(BP est) -34.90(MP est) ----(BP exp) ----(MP exp) FC1CCC[Se]1 -34.9Pred
FCC1C[Se]C115516153.058C4H7FSe3-(fluoromethyl)selenetaneN136FCC1C[Se]C1InChI=1S/C4H7FSe/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=KHAJJNUSGSYXGO-UHFFFAOYSA-N121.5Ex 121.48(BP est) -33.76(MP est) ----(BP exp) ----(MP exp) FCC1C[Se]C1 -33.8Pred
FC1C(C)(C)[Se]115517153.058C4H7FSe3-fluoro-2,2-dimethylseleniraneN136FC1C(C)(C)[Se]1InChI=1S/C4H7FSe/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=NFDPJHHGBULEAC-UHFFFAOYSA-N100.0Ex 100.01(BP est) -28.44(MP est) ----(BP exp) ----(MP exp) FC1C(C)(C)[Se]1 -28.4Pred
CC1[Se]CC1F15518153.058C4H7FSe3-fluoro-2-methylselenetaneN136CC1[Se]CC1FInChI=1S/C4H7FSe/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=MIPKGJGTDBADNU-UHFFFAOYSA-N114.7Ex 114.71(BP est) -37.86(MP est) ----(BP exp) ----(MP exp) CC1[Se]CC1F -37.9Pred
FC1(C)C[Se]C115519153.058C4H7FSe3-fluoro-3-methylselenetaneN136FC1(C)C[Se]C1InChI=1S/C4H7FSe/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=HXXYBTDZXDIMBS-UHFFFAOYSA-N109.1Ex 109.11(BP est) -25.42(MP est) ----(BP exp) ----(MP exp) FC1(C)C[Se]C1 -25.4Pred
[SeH]CCC(F)=C15520153.058C4H7FSe3-fluorobut-3-ene-1-selenolN136[Se]([H])CCC(F)=CInChI=1S/C4H7FSe/c1-4(5)2-3-6/h6H,1-3H2InChIKey=BLKBWHFHKURTFL-UHFFFAOYSA-N111.5Ex 111.53(BP est) -45.31(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(F)=C -45.3Pred
[SeH]C(C)C(F)=C15521153.058C4H7FSe3-fluorobut-3-ene-2-selenolN136[Se]([H])C(C)C(F)=CInChI=1S/C4H7FSe/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=OALKIGBOMQDLCT-UHFFFAOYSA-N97.1Ex 97.14(BP est) -57.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(F)=C -57Pred
[SeH]C1CC(F)C115522153.058C4H7FSe3-fluorocyclobutane-1-selenolN136[Se]([H])C1CC(F)C1InChI=1S/C4H7FSe/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=NLTJDCBQKYTZDC-UHFFFAOYSA-N119.0Ex 119.02(BP est) -30.17(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC(F)C1 -30.2Pred
FC1C[Se]CC115523153.058C4H7FSe3-fluorotetrahydroselenopheneN136FC1C[Se]CC1InChI=1S/C4H7FSe/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=DYERCKNQNCVJHF-UHFFFAOYSA-N123.6Ex 123.60(BP est) -34.90(MP est) ----(BP exp) ----(MP exp) FC1C[Se]CC1 -34.9Pred
[SeH]CCC=CF15524153.058C4H7FSe4-fluorobut-3-ene-1-selenolN136[Se]([H])CCC=CFInChI=1S/C4H7FSe/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=SJENBLSRFLESBN-UHFFFAOYSA-N126.8Ex 126.80(BP est) -35.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC=CF -35.5Pred
[SeH]C(C)C=CF15525153.058C4H7FSe4-fluorobut-3-ene-2-selenolN136[Se]([H])C(C)C=CFInChI=1S/C4H7FSe/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=CWLZOKLUVQIUGM-UHFFFAOYSA-N112.8Ex 112.77(BP est) -47.13(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C=CF -47.1Pred
FC[Se]CC=C15526153.058C4H7FSeallyl(fluoromethyl)selaneN136FC[Se]CC=CInChI=1S/C4H7FSe/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=XSCWRTORDIXWFM-UHFFFAOYSA-N115.8Ex 115.77(BP est) -45.28(MP est) ----(BP exp) ----(MP exp) FC[Se]CC=C -45.3Pred
FC[Se]C1CC115527153.058C4H7FSecyclopropyl(fluoromethyl)selaneN136FC[Se]C1CC1InChI=1S/C4H7FSe/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=CQZAGAPNJYNIDW-UHFFFAOYSA-N121.5Ex 121.48(BP est) -33.76(MP est) ----(BP exp) ----(MP exp) FC[Se]C1CC1 -33.8Pred
[SeH]C(F)C1CC115528153.058C4H7FSecyclopropylfluoromethaneselenolN136[Se]([H])C(F)C1CC1InChI=1S/C4H7FSe/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=AJTZSUJLLKEMNB-UHFFFAOYSA-N109.5Ex 109.52(BP est) -36.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C1CC1 -36.6Pred
CC[Se]C(F)=C15529153.058C4H7FSeethyl(1-fluorovinyl)selaneN136CC[Se]C(F)=CInChI=1S/C4H7FSe/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=FYFMVJSRLAXZMA-UHFFFAOYSA-N109.3Ex 109.34(BP est) -54.13(MP est) ----(BP exp) ----(MP exp) CC[Se]C(F)=C -54.1Pred
CC[Se]C=CF15530153.058C4H7FSeethyl(2-fluorovinyl)selaneN136CC[Se]C=CFInChI=1S/C4H7FSe/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=BUHREYZJIRVRMT-UHFFFAOYSA-N124.7Ex 124.67(BP est) -44.34(MP est) ----(BP exp) ----(MP exp) CC[Se]C=CF -44.3Pred
COCC[Se]C15531153.083C4H10OSe(2-methoxyethyl)(methyl)selaneN166COCC[Se]CInChI=1S/C4H10OSe/c1-5-3-4-6-2/h3-4H2,1-2H3InChIKey=SRWIBNHEULZMRT-UHFFFAOYSA-N139.1Ex 139.10(BP est) -26.77(MP est) ----(BP exp) ----(MP exp) COCC[Se]C -26.8Pred
O=[Se](CC)CC15532153.083C4H10OSe(ethylseleninyl)ethaneN166O=[Se](CC)CCInChI=1S/C4H10OSe/c1-3-6(5)4-2/h3-4H2,1-2H3InChIKey=KAOBURQXEDTXMX-UHFFFAOYSA-N105.0Ex 104.98(BP est) -46.80(MP est) ----(BP exp) ----(MP exp) O=[Se](CC)CC -46.8Pred
OC(C)C[Se]C15533153.083C4H10OSe1-(methylselanyl)propan-2-olN166OC(C)C[Se]CInChI=1S/C4H10OSe/c1-4(5)3-6-2/h4-5H,3H2,1-2H3InChIKey=YAULVBVZHOALKB-UHFFFAOYSA-N177.7Ex 177.72(BP est) -3.69(MP est) ----(BP exp) ----(MP exp) OC(C)C[Se]C -3.7Pred
[SeH]C(C)COC15534153.083C4H10OSe1-methoxypropane-2-selenolN166[Se]([H])C(C)COCInChI=1S/C4H10OSe/c1-4(6)3-5-2/h4,6H,3H2,1-2H3InChIKey=WPWWYTWLWALTTB-UHFFFAOYSA-N127.5Ex 127.49(BP est) -29.47(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)COC -29.5Pred
OCC[Se]CC15535153.083C4H10OSe2-(ethylselanyl)ethan-1-olN166OCC[Se]CCInChI=1S/C4H10OSe/c1-2-6-4-3-5/h5H,2-4H2,1H3InChIKey=KJCOYZSZINYEFY-UHFFFAOYSA-N196.7Ex 196.69(BP est) 9.34(MP est) ----(BP exp) ----(MP exp) OCC[Se]CC 9.3Pred
[SeH]CCOCC15536153.083C4H10OSe2-ethoxyethane-1-selenolN166[Se]([H])CCOCCInChI=1S/C4H10OSe/c1-2-5-3-4-6/h6H,2-4H2,1H3InChIKey=NWXRVELILRXWTB-UHFFFAOYSA-N141.2Ex 141.17(BP est) -17.98(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCOCC -18Pred
OCCC[Se]C15537153.083C4H10OSe3-(methylselanyl)propan-1-olN166OCCC[Se]CInChI=1S/C4H10OSe/c1-6-4-2-3-5/h5H,2-4H2,1H3InChIKey=XSFMRWKOBKJHKW-UHFFFAOYSA-N196.7Ex 196.69(BP est) 9.34(MP est) ----(BP exp) ----(MP exp) OCCC[Se]C 9.3Pred
[SeH]CC(C)CO15538153.083C4H10OSe3-hydroseleno-2-methylpropan-1-olN166[Se]([H])CC(C)COInChI=1S/C4H10OSe/c1-4(2-5)3-6/h4-6H,2-3H2,1H3InChIKey=UPTGBLWQSVURHK-UHFFFAOYSA-N186.3Ex 186.34(BP est) 7.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)CO 7Pred
[SeH]C(C)CCO15539153.083C4H10OSe3-hydroselenobutan-1-olN166[Se]([H])C(C)CCOInChI=1S/C4H10OSe/c1-4(6)2-3-5/h4-6H,2-3H2,1H3InChIKey=TTZVJHDTMHKRCV-UHFFFAOYSA-N186.3Ex 186.34(BP est) 7.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CCO 7Pred
[SeH]C(C)C(C)O15540153.083C4H10OSe3-hydroselenobutan-2-olN166[Se]([H])C(C)C(C)OInChI=1S/C4H10OSe/c1-3(5)4(2)6/h3-6H,1-2H3InChIKey=OPLDMHJPLUOEAV-UHFFFAOYSA-N166.9Ex 166.94(BP est) -6.16(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(C)O -6.2Pred
[SeH]CCCOC15541153.083C4H10OSe3-methoxypropane-1-selenolN166[Se]([H])CCCOCInChI=1S/C4H10OSe/c1-5-3-2-4-6/h6H,2-4H2,1H3InChIKey=WQQLMENYUNUWAF-UHFFFAOYSA-N141.2Ex 141.17(BP est) -17.98(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCOC -18Pred
[SeH]CCCCO15542153.083C4H10OSe4-hydroselenobutan-1-olN166[Se]([H])CCCCOInChI=1S/C4H10OSe/c5-3-1-2-4-6/h5-6H,1-4H2InChIKey=CIQHYVRIHWLDPJ-UHFFFAOYSA-N198.5Ex 198.54(BP est) 18.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCO 18.1Pred
C[Se]CCNN15543153.087C3H10N2Se(2-(methylselanyl)ethyl)hydrazineN166C[Se]CCNNInChI=1S/C3H10N2Se/c1-6-3-2-5-4/h5H,2-4H2,1H3InChIKey=LZIFYCWXDVREKK-UHFFFAOYSA-N192.2Ex 192.18(BP est) 19.25(MP est) ----(BP exp) ----(MP exp) C[Se]CCNN 19.3Pred
NCC(CN)[SeH]15544153.087C3H10N2Se1,3-diaminopropane-2-selenolN166NCC(CN)[Se]([H])InChI=1S/C3H10N2Se/c4-1-3(6)2-5/h3,6H,1-2,4-5H2InChIKey=XNSMCKURJRNDFG-UHFFFAOYSA-N197.7Ex 197.65(BP est) 29.63(MP est) ----(BP exp) ----(MP exp) NCC(CN)[Se]([H]) 29.6Pred
CN(N)CC[SeH]15545153.087C3H10N2Se2-(1-methylhydrazineyl)ethane-1-selenolN166CN(N)CC[Se]([H])InChI=1S/C3H10N2Se/c1-5(4)2-3-6/h6H,2-4H2,1H3InChIKey=QLDZVLDGFHWPIR-UHFFFAOYSA-N175.6Ex 175.57(BP est) 11.02(MP est) ----(BP exp) ----(MP exp) CN(N)CC[Se]([H]) 11Pred
[SeH]CC(N)CN15546153.087C3H10N2Se2,3-diaminopropane-1-selenolN166[Se]([H])CC(N)CNInChI=1S/C3H10N2Se/c4-1-3(5)2-6/h3,6H,1-2,4-5H2InChIKey=CQKWVVGJCGUWJX-UHFFFAOYSA-N197.7Ex 197.65(BP est) 29.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(N)CN 29.6Pred
CC(C[SeH])NN15547153.087C3H10N2Se2-hydrazineylpropane-1-selenolN166CC(C[Se]([H]))NNInChI=1S/C3H10N2Se/c1-3(2-6)5-4/h3,5-6H,2,4H2,1H3InChIKey=YEGHZWYYVTXHBP-UHFFFAOYSA-N181.7Ex 181.72(BP est) 15.01(MP est) ----(BP exp) ----(MP exp) CC(C[Se]([H]))NN 15Pred
[Se]1C[Se]CC115548200.001C3H6Se21,3-diselenolaneN115[Se]1C[Se]CC1InChI=1S/C3H6Se2/c1-2-5-3-4-1/h1-3H2InChIKey=ARSQHOXNMUYQOL-UHFFFAOYSA-N186.9Ex 186.88(BP est) 29.02(MP est) ----(BP exp) ----(MP exp) [Se]1C[Se]CC1 29Pred
[SeH]C(C#C)Cl15549153.467C3H3ClSe1-chloroprop-2-yne-1-selenolN85[Se]([H])C(C#C)ClInChI=1S/C3H3ClSe/c1-2-3(4)5/h1,3,5HInChIKey=PUWPEARVIKHBNA-UHFFFAOYSA-N137.6Ex 137.62(BP est) -4.82(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)Cl -4.8Pred
[SeH]CC#CCl15550153.467C3H3ClSe3-chloroprop-2-yne-1-selenolN85[Se]([H])CC#CClInChI=1S/C3H3ClSe/c4-2-1-3-5/h5H,3H2InChIKey=BEIOSYODAVSULZ-UHFFFAOYSA-N145.3Ex 145.31(BP est) 2.84(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC#CCl 2.8Pred
[SeH]CC[N+]([O-])=O15553154.027C2H5NO2Se2-nitroethane-1-selenolN116[Se]([H])CC[N+]([O-])=OInChI=1S/C2H5NO2Se/c4-3(5)1-2-6/h6H,1-2H2InChIKey=UYZJEJJGSSLBCD-UHFFFAOYSA-N179.2Ex 179.24(BP est) 16.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC[N+]([O-])=O 16.8Pred
O=[Se](C)CCN15554154.071C3H9NOSe2-(methylseleninyl)ethan-1-amineN156O=[Se](C)CCNInChI=1S/C3H9NOSe/c1-6(5)3-2-4/h2-4H2,1H3InChIKey=JEQOXGTTYGUHHZ-UHFFFAOYSA-N143.1Ex 143.11(BP est) 0.33(MP est) ----(BP exp) ----(MP exp) O=[Se](C)CCN 0.3Pred
ONCCC[SeH]15555154.071C3H9NOSe3-(hydroxyamino)propane-1-selenolN156ONCCC[Se]([H])InChI=1S/C3H9NOSe/c5-4-2-1-3-6/h4-6H,1-3H2InChIKey=MBUQKCXPJFKTTL-UHFFFAOYSA-N229.4Ex 229.44(BP est) 38.63(MP est) ----(BP exp) ----(MP exp) ONCCC[Se]([H]) 38.6Pred
[Se]1[Se]CNC115556200.989C2H5NSe21,2,4-diselenazolidineN105[Se]1[Se]CNC1InChI=1S/C2H5NSe2/c1-3-2-5-4-1/h3H,1-2H2InChIKey=FDLBSOQWQAFWRZ-UHFFFAOYSA-N218.8Ex 218.76(BP est) 49.64(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]CNC1 49.6Pred
[SeH]C(C#C)(F)F15557155.006C3H2F2Se1,1-difluoroprop-2-yne-1-selenolN86[Se]([H])C(C#C)(F)FInChI=1S/C3H2F2Se/c1-2-3(4,5)6/h1,6HInChIKey=NKMVOXIZJBMKSH-UHFFFAOYSA-N82.5Ex 82.50(BP est) -26.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(F)F -26.6Pred
[SeH]C(F)C#CF15558155.006C3H2F2Se1,3-difluoroprop-2-yne-1-selenolN86[Se]([H])C(F)C#CFInChI=1S/C3H2F2Se/c4-2-1-3(5)6/h3,6HInChIKey=SSRSWXVWXYAMRB-UHFFFAOYSA-N101.2Ex 101.23(BP est) -0.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C#CF -0.3Pred
O=[Se]1OCCO115559155.011C2H4O3Se1,3,2-dioxaselenolane 2-oxideN106O=[Se]1OCCO1InChI=1S/C2H4O3Se/c3-6-4-1-2-5-6/h1-2H2InChIKey=PLSKUXASMLOIHH-UHFFFAOYSA-N130.5Ex 130.46(BP est) -14.73(MP est) ----(BP exp) ----(MP exp) O=[Se]1OCCO1 -14.7Pred
O=C([Se](O)=O)C15560155.011C2H4O3Se1-oxoethane-1-seleninic acidN106O=C([Se](O)=O)CInChI=1S/C2H4O3Se/c1-2(3)6(4)5/h1H3,(H,4,5)InChIKey=SYUQLWUNVWMQCL-UHFFFAOYSA-N201.8Ex 201.78(BP est) 25.56(MP est) ----(BP exp) ----(MP exp) O=C([Se](O)=O)C 25.6Pred
O=CC[Se](O)=O15561155.011C2H4O3Se2-oxoethane-1-seleninic acidN106O=CC[Se](O)=OInChI=1S/C2H4O3Se/c3-1-2-6(4)5/h1H,2H2,(H,4,5)InChIKey=WAVBFSUZZLXAKS-UHFFFAOYSA-N213.2Ex 213.16(BP est) 24.92(MP est) ----(BP exp) ----(MP exp) O=CC[Se](O)=O 24.9Pred
O=[Se](OC=C)O15562155.011C2H4O3Sevinyl hydrogen seleniteN106O=[Se](OC=C)OInChI=1S/C2H4O3Se/c1-2-5-6(3)4/h2H,1H2,(H,3,4)InChIKey=KEKICHXZYWOURV-UHFFFAOYSA-N181.7Ex 181.72(BP est) 4.98(MP est) ----(BP exp) ----(MP exp) O=[Se](OC=C)O 5Pred
O=[Se](C(N)=N)O15563155.015CH4N2O2Seamino(imino)methaneseleninic acidN106O=[Se](C(N)=N)OInChI=1S/CH4N2O2Se/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)InChIKey=RNERHLZDJNMZCW-UHFFFAOYSA-N252.1Ex 252.07(BP est) 59.59(MP est) ----(BP exp) ----(MP exp) O=[Se](C(N)=N)O 59.6Pred
O=[Se](O)C=NN15564155.015CH4N2O2Sehydrazineylidenemethaneseleninic acidN106O=[Se](O)C=NNInChI=1S/CH4N2O2Se/c2-3-1-6(4)5/h1H,2H2,(H,4,5)InChIKey=JDXXEEYMCVJKDB-UHFFFAOYSA-N223.9Ex 223.90(BP est) 33.55(MP est) ----(BP exp) ----(MP exp) O=[Se](O)C=NN 33.6Pred
FNC(NC)=[Se]15565155.034C2H5FN2Se1-fluoro-3-methylselenoureaN116FNC(NC)=[Se]InChI=1S/C2H5FN2Se/c1-4-2(6)5-3/h1H3,(H2,4,5,6)InChIKey=WYECPCYOIVSXNS-UHFFFAOYSA-N156.2Ex 156.19(BP est) 8.73(MP est) ----(BP exp) ----(MP exp) FNC(NC)=[Se] 8.7Pred
[Se]=P(C)(C)C15566155.039C3H9PSetrimethylphosphine selenideN145[Se]=P(C)(C)CInChI=1S/C3H9PSe/c1-4(2,3)5/h1-3H3InChIKey=BHWOYTDRBNAVRI-UHFFFAOYSA-N131.7Ex 131.73(BP est) -38.85(MP est) ----(BP exp) ----(MP exp) [Se]=P(C)(C)C -38.9Pred
[SeH]CC(CO)O15567155.055C3H8O2Se3-hydroselenopropane-1,2-diolN146[Se]([H])CC(CO)OInChI=1S/C3H8O2Se/c4-1-3(5)2-6/h3-6H,1-2H2InChIKey=AVJYCECCEDRRPZ-UHFFFAOYSA-N233.4Ex 233.38(BP est) 37.88(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(CO)O 37.9Pred
C[Se]C([SeH])=O15568201.973C2H4OSe2Se-methyl Se-hydrogen carbonodiselenoateN95C[Se]C([Se]([H]))=OInChI=1S/C2H4OSe2/c1-5-2(3)4/h1H3,(H,3,4)InChIKey=MCZPTABBFZGEKN-UHFFFAOYSA-N198.7Ex 198.73(BP est) 25.64(MP est) ----(BP exp) ----(MP exp) C[Se]C([Se]([H]))=O 25.6Pred
C[Se]C(C)CF15569155.074C4H9FSe(1-fluoropropan-2-yl)(methyl)selaneN156C[Se]C(C)CFInChI=1S/C4H9FSe/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=BZUULBXDMFYKBI-UHFFFAOYSA-N103.3Ex 103.27(BP est) -55.55(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)CF -55.6Pred
C[Se]C(F)CC15570155.074C4H9FSe(1-fluoropropyl)(methyl)selaneN156C[Se]C(F)CCInChI=1S/C4H9FSe/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=KXDQBUNJKDWZNF-UHFFFAOYSA-N103.3Ex 103.27(BP est) -55.55(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)CC -55.6Pred
C[Se]C(C)(F)C15571155.074C4H9FSe(2-fluoropropan-2-yl)(methyl)selaneN156C[Se]C(C)(F)CInChI=1S/C4H9FSe/c1-4(2,5)6-3/h1-3H3InChIKey=DWJFFWIMLFOMQC-UHFFFAOYSA-N93.7Ex 93.73(BP est) -49.62(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(F)C -49.6Pred
C[Se]CC(F)C15572155.074C4H9FSe(2-fluoropropyl)(methyl)selaneN156C[Se]CC(F)CInChI=1S/C4H9FSe/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=NYFHTNFTKGFIPH-UHFFFAOYSA-N103.3Ex 103.27(BP est) -55.55(MP est) ----(BP exp) ----(MP exp) C[Se]CC(F)C -55.6Pred
C[Se]CCCF15573155.074C4H9FSe(3-fluoropropyl)(methyl)selaneN156C[Se]CCCFInChI=1S/C4H9FSe/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=FWMSMYQUYQBZGO-UHFFFAOYSA-N117.5Ex 117.52(BP est) -43.89(MP est) ----(BP exp) ----(MP exp) C[Se]CCCF -43.9Pred
FC[Se]C(C)C15574155.074C4H9FSe(fluoromethyl)(isopropyl)selaneN156FC[Se]C(C)CInChI=1S/C4H9FSe/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=UZXXMJIOHPFLRY-UHFFFAOYSA-N103.3Ex 103.27(BP est) -55.55(MP est) ----(BP exp) ----(MP exp) FC[Se]C(C)C -55.6Pred
FC[Se]CCC15575155.074C4H9FSe(fluoromethyl)(propyl)selaneN156FC[Se]CCCInChI=1S/C4H9FSe/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=BWMJDNIFOVHZEM-UHFFFAOYSA-N117.5Ex 117.52(BP est) -43.89(MP est) ----(BP exp) ----(MP exp) FC[Se]CCC -43.9Pred
[SeH]C(F)C(C)C15576155.074C4H9FSe1-fluoro-2-methylpropane-1-selenolN156[Se]([H])C(F)C(C)CInChI=1S/C4H9FSe/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=WAHQJXHECRCNGL-UHFFFAOYSA-N91.0Ex 90.96(BP est) -58.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(C)C -58.5Pred
[SeH]C(CF)(C)C15577155.074C4H9FSe1-fluoro-2-methylpropane-2-selenolN156[Se]([H])C(CF)(C)CInChI=1S/C4H9FSe/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=QVWZLNGWNQXHFM-UHFFFAOYSA-N96.0Ex 95.97(BP est) -40.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(C)C -40.8Pred
[SeH]C(F)CCC15578155.074C4H9FSe1-fluorobutane-1-selenolN156[Se]([H])C(F)CCCInChI=1S/C4H9FSe/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=NCWXZLMEJIALLD-UHFFFAOYSA-N105.5Ex 105.48(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CCC -46.7Pred
[SeH]C(CF)CC15579155.074C4H9FSe1-fluorobutane-2-selenolN156[Se]([H])C(CF)CCInChI=1S/C4H9FSe/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=RSLNAKROOHIZKC-UHFFFAOYSA-N105.5Ex 105.48(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)CC -46.7Pred
[SeH]CC(C)(F)C15580155.074C4H9FSe2-fluoro-2-methylpropane-1-selenolN156[Se]([H])CC(C)(F)CInChI=1S/C4H9FSe/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=YZZHJINOGMKVHQ-UHFFFAOYSA-N96.0Ex 95.97(BP est) -40.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(F)C -40.8Pred
[SeH]CC(F)CC15581155.074C4H9FSe2-fluorobutane-1-selenolN156[Se]([H])CC(F)CCInChI=1S/C4H9FSe/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=ONGPVUWZZIQETL-UHFFFAOYSA-N105.5Ex 105.48(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)CC -46.7Pred
[SeH]C(CC)(F)C15582155.074C4H9FSe2-fluorobutane-2-selenolN156[Se]([H])C(CC)(F)CInChI=1S/C4H9FSe/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=PIOVQQREWLMFAN-UHFFFAOYSA-N96.0Ex 95.97(BP est) -40.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(F)C -40.8Pred
[SeH]CC(C)CF15583155.074C4H9FSe3-fluoro-2-methylpropane-1-selenolN156[Se]([H])CC(C)CFInChI=1S/C4H9FSe/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=LDLMALUAZZKKOB-UHFFFAOYSA-N105.5Ex 105.48(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)CF -46.7Pred
[SeH]CCC(F)C15584155.074C4H9FSe3-fluorobutane-1-selenolN156[Se]([H])CCC(F)CInChI=1S/C4H9FSe/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=FUMYUFOYQNNYBL-UHFFFAOYSA-N105.5Ex 105.48(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(F)C -46.7Pred
[SeH]C(C)C(F)C15585155.074C4H9FSe3-fluorobutane-2-selenolN156[Se]([H])C(C)C(F)CInChI=1S/C4H9FSe/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=BFPLRJREDNLWBG-UHFFFAOYSA-N91.0Ex 90.96(BP est) -58.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(F)C -58.5Pred
[SeH]CCCCF15586155.074C4H9FSe4-fluorobutane-1-selenolN156[Se]([H])CCCCFInChI=1S/C4H9FSe/c5-3-1-2-4-6/h6H,1-4H2InChIKey=QXKHYHUCHBHLRM-UHFFFAOYSA-N119.7Ex 119.67(BP est) -35.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCF -35.1Pred
[SeH]C(C)CCF15587155.074C4H9FSe4-fluorobutane-2-selenolN156[Se]([H])C(C)CCFInChI=1S/C4H9FSe/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=IQKLMVYNWNCFFP-UHFFFAOYSA-N105.5Ex 105.48(BP est) -46.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CCF -46.7Pred
CC[Se]C(F)C15588155.074C4H9FSeethyl(1-fluoroethyl)selaneN156CC[Se]C(F)CInChI=1S/C4H9FSe/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=NFADFRJTBZNLCL-UHFFFAOYSA-N103.3Ex 103.27(BP est) -55.55(MP est) ----(BP exp) ----(MP exp) CC[Se]C(F)C -55.6Pred
CC[Se]CCF15589155.074C4H9FSeethyl(2-fluoroethyl)selaneN156CC[Se]CCFInChI=1S/C4H9FSe/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=OCLDXFLAQOHZIQ-UHFFFAOYSA-N117.5Ex 117.52(BP est) -43.89(MP est) ----(BP exp) ----(MP exp) CC[Se]CCF -43.9Pred
C[Se][Se]CC15590202.017C3H8Se21-ethyl-2-methyldiselaneN135C[Se][Se]CCInChI=1S/C3H8Se2/c1-3-5-4-2/h3H2,1-2H3InChIKey=AUJJALKQBBXDIL-UHFFFAOYSA-N177.4Ex 177.35(BP est) 15.15(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CC 15.2Pred
[SeH]CC[Se]C15591202.017C3H8Se22-(methylselanyl)ethane-1-selenolN135[Se]([H])CC[Se]CInChI=1S/C3H8Se2/c1-5-3-2-4/h4H,2-3H2,1H3InChIKey=FNHQGJWCUBAZBY-UHFFFAOYSA-N179.3Ex 179.28(BP est) 23.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC[Se]C 23.9Pred
C[Se]C[Se]C15592202.017C3H8Se2bis(methylselanyl)methaneN135C[Se]C[Se]CInChI=1S/C3H8Se2/c1-4-3-5-2/h3H2,1-2H3InChIKey=FIISDUWWMWGGQJ-UHFFFAOYSA-N177.4Ex 177.35(BP est) 15.15(MP est) ----(BP exp) ----(MP exp) C[Se]C[Se]C 15.2Pred
[SeH]C(C)C[SeH]15593202.017C3H8Se2propane-1,2-diselenolN135[Se]([H])C(C)C[Se]([H])InChI=1S/C3H8Se2/c1-3(5)2-4/h3-5H,2H2,1H3InChIKey=FCUFXXIXTZOALL-UHFFFAOYSA-N168.5Ex 168.54(BP est) 21.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C[Se]([H]) 21.5Pred
[SeH]CCC[SeH]15594202.017C3H8Se2propane-1,3-diselenolN135[Se]([H])CCC[Se]([H])InChI=1S/C3H8Se2/c4-2-1-3-5/h4-5H,1-3H2InChIKey=ACDZASYBIPGVJH-UHFFFAOYSA-N181.2Ex 181.21(BP est) 12.40(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC[Se]([H]) 12.4Pred
C[Se]C(Cl)=C15595155.483C3H5ClSe(1-chlorovinyl)(methyl)selaneN105C[Se]C(Cl)=CInChI=1S/C3H5ClSe/c1-3(4)5-2/h1H2,2H3InChIKey=UIWUKXUPXAULDF-UHFFFAOYSA-N118.8Ex 118.78(BP est) -42.35(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)=C -42.4Pred
C[Se]C=CCl15596155.483C3H5ClSe(2-chlorovinyl)(methyl)selaneN105C[Se]C=CClInChI=1S/C3H5ClSe/c1-5-3-2-4/h2-3H,1H3InChIKey=JVWQRJPPJGVFRN-UHFFFAOYSA-N133.9Ex 133.87(BP est) -32.62(MP est) ----(BP exp) ----(MP exp) C[Se]C=CCl -32.6Pred
ClC[Se]C=C15597155.483C3H5ClSe(chloromethyl)(vinyl)selaneN105ClC[Se]C=CInChI=1S/C3H5ClSe/c1-2-5-3-4/h2H,1,3H2InChIKey=VILHKHFFHKDJPU-UHFFFAOYSA-N151.7Ex 151.66(BP est) -25.77(MP est) ----(BP exp) ----(MP exp) ClC[Se]C=C -25.8Pred
[SeH]C1(Cl)CC115598155.483C3H5ClSe1-chlorocyclopropane-1-selenolN105[Se]([H])C1(Cl)CC1InChI=1S/C3H5ClSe/c4-3(5)1-2-3/h5H,1-2H2InChIKey=BHBKSRLDAPNDTH-UHFFFAOYSA-N122.8Ex 122.76(BP est) -4.22(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Cl)CC1 -4.2Pred
[SeH]C(C=C)Cl15599155.483C3H5ClSe1-chloroprop-2-ene-1-selenolN105[Se]([H])C(C=C)ClInChI=1S/C3H5ClSe/c1-2-3(4)5/h2-3,5H,1H2InChIKey=QRGKCEGMKHCPTH-UHFFFAOYSA-N127.9Ex 127.93(BP est) -32.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)Cl -32Pred
ClCC1C[Se]115600155.483C3H5ClSe2-(chloromethyl)seleniraneN105ClCC1C[Se]1InChI=1S/C3H5ClSe/c4-1-3-2-5-3/h3H,1-2H2InChIKey=KEXUGLZDQCWRCA-UHFFFAOYSA-N155.0Ex 155.02(BP est) -13.18(MP est) ----(BP exp) ----(MP exp) ClCC1C[Se]1 -13.2Pred
ClC1(C)C[Se]115601155.483C3H5ClSe2-chloro-2-methylseleniraneN105ClC1(C)C[Se]1InChI=1S/C3H5ClSe/c1-3(4)2-5-3/h2H2,1H3InChIKey=FNZULZSPQSRQIJ-UHFFFAOYSA-N118.5Ex 118.48(BP est) -11.90(MP est) ----(BP exp) ----(MP exp) ClC1(C)C[Se]1 -11.9Pred
ClC1C(C)[Se]115602155.483C3H5ClSe2-chloro-3-methylseleniraneN105ClC1C(C)[Se]1InChI=1S/C3H5ClSe/c1-2-3(4)5-2/h2-3H,1H3InChIKey=LSANGYSEFUADFL-UHFFFAOYSA-N136.4Ex 136.44(BP est) -20.72(MP est) ----(BP exp) ----(MP exp) ClC1C(C)[Se]1 -20.7Pred
[SeH]C1CC1Cl15603155.483C3H5ClSe2-chlorocyclopropane-1-selenolN105[Se]([H])C1CC1ClInChI=1S/C3H5ClSe/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=PSHZAKWBMPMHHF-UHFFFAOYSA-N140.6Ex 140.59(BP est) -13.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC1Cl -13.1Pred
[SeH]CC(Cl)=C15604155.483C3H5ClSe2-chloroprop-2-ene-1-selenolN105[Se]([H])CC(Cl)=CInChI=1S/C3H5ClSe/c1-3(4)2-5/h5H,1-2H2InChIKey=PQZOXXVUESVKKH-UHFFFAOYSA-N120.9Ex 120.93(BP est) -33.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)=C -33.5Pred
ClC1[Se]CC115605155.483C3H5ClSe2-chloroselenetaneN105ClC1[Se]CC1InChI=1S/C3H5ClSe/c4-3-1-2-5-3/h3H,1-2H2InChIKey=CGPHBBUGPOHJQJ-UHFFFAOYSA-N145.0Ex 145.00(BP est) -17.86(MP est) ----(BP exp) ----(MP exp) ClC1[Se]CC1 -17.9Pred
[SeH]CC=CCl15606155.483C3H5ClSe3-chloroprop-2-ene-1-selenolN105[Se]([H])CC=CClInChI=1S/C3H5ClSe/c4-2-1-3-5/h1-2,5H,3H2InChIKey=NIUGHATYZXKGIQ-UHFFFAOYSA-N136.0Ex 135.96(BP est) -23.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=CCl -23.8Pred
ClC1C[Se]C115607155.483C3H5ClSe3-chloroselenetaneN105ClC1C[Se]C1InChI=1S/C3H5ClSe/c4-3-1-5-2-3/h3H,1-2H2InChIKey=JBMUUMAXIBEDMJ-UHFFFAOYSA-N145.0Ex 145.00(BP est) -17.86(MP est) ----(BP exp) ----(MP exp) ClC1C[Se]C1 -17.9Pred
O=[Se](O)C(N)C15610156.043C2H7NO2Se1-aminoethane-1-seleninic acidN136O=[Se](O)C(N)CInChI=1S/C2H7NO2Se/c1-2(3)6(4)5/h2H,3H2,1H3,(H,4,5)InChIKey=CUSMVODIKKFTRT-UHFFFAOYSA-N203.7Ex 203.67(BP est) 25.27(MP est) ----(BP exp) ----(MP exp) O=[Se](O)C(N)C 25.3Pred
O=[Se](CCN)O15611156.043C2H7NO2Se2-aminoethane-1-seleninic acidN136O=[Se](CCN)OInChI=1S/C2H7NO2Se/c3-1-2-6(4)5/h1-3H2,(H,4,5)InChIKey=MSXXMULWRYZVNO-UHFFFAOYSA-N215.4Ex 215.40(BP est) 34.84(MP est) ----(BP exp) ----(MP exp) O=[Se](CCN)O 34.8Pred
CP(C)(O)=[Se]15612157.011C2H7OPSedimethylphosphinoselenoic O-acidN125CP(C)(O)=[Se]InChI=1S/C2H7OPSe/c1-4(2,3)5/h1-2H3,(H,3,5)InChIKey=HTHBNXGDNZBDHB-UHFFFAOYSA-N205.6Ex 205.61(BP est) 7.49(MP est) ----(BP exp) ----(MP exp) CP(C)(O)=[Se] 7.5Pred
C[Se]C(F)=CF15613157.022C3H4F2Se(1,2-difluorovinyl)(methyl)selaneN106C[Se]C(F)=CFInChI=1S/C3H4F2Se/c1-6-3(5)2-4/h2H,1H3InChIKey=WLOACJLKJAFSGC-UHFFFAOYSA-N96.9Ex 96.92(BP est) -64.76(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)=CF -64.8Pred
C[Se]C=C(F)F15614157.022C3H4F2Se(2,2-difluorovinyl)(methyl)selaneN106C[Se]C=C(F)FInChI=1S/C3H4F2Se/c1-6-2-3(4)5/h2H,1H3InChIKey=UFATYUJHOKWLSS-UHFFFAOYSA-N96.9Ex 96.92(BP est) -64.76(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(F)F -64.8Pred
FC(F)[Se]C=C15615157.022C3H4F2Se(difluoromethyl)(vinyl)selaneN106FC(F)[Se]C=CInChI=1S/C3H4F2Se/c1-2-6-3(4)5/h2-3H,1H2InChIKey=UNTODZQKLNKUNZ-UHFFFAOYSA-N79.5Ex 79.49(BP est) -68.71(MP est) ----(BP exp) ----(MP exp) FC(F)[Se]C=C -68.7Pred
FC[Se]C(F)=C15616157.022C3H4F2Se(fluoromethyl)(1-fluorovinyl)selaneN106FC[Se]C(F)=CInChI=1S/C3H4F2Se/c1-3(5)6-2-4/h1-2H2InChIKey=MOXRFZCESPJLIW-UHFFFAOYSA-N87.6Ex 87.62(BP est) -65.82(MP est) ----(BP exp) ----(MP exp) FC[Se]C(F)=C -65.8Pred
FC[Se]C=CF15617157.022C3H4F2Se(fluoromethyl)(2-fluorovinyl)selaneN106FC[Se]C=CFInChI=1S/C3H4F2Se/c4-1-2-6-3-5/h1-2H,3H2InChIKey=TUYQZBBRUYLLOZ-UHFFFAOYSA-N103.5Ex 103.48(BP est) -55.87(MP est) ----(BP exp) ----(MP exp) FC[Se]C=CF -55.9Pred
[SeH]C(C=C)(F)F15618157.022C3H4F2Se1,1-difluoroprop-2-ene-1-selenolN106[Se]([H])C(C=C)(F)FInChI=1S/C3H4F2Se/c1-2-3(4,5)6/h2,6H,1H2InChIKey=YYKSNBRYGJTCLI-UHFFFAOYSA-N71.9Ex 71.92(BP est) -54.02(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(F)F -54Pred
[SeH]C1(F)C(F)C115619157.022C3H4F2Se1,2-difluorocyclopropane-1-selenolN106[Se]([H])C1(F)C(F)C1InChI=1S/C3H4F2Se/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=AKNUGNDKWSZNED-UHFFFAOYSA-N82.5Ex 82.52(BP est) -32.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(F)C(F)C1 -32.5Pred
[SeH]C(F)C(F)=C15620157.022C3H4F2Se1,2-difluoroprop-2-ene-1-selenolN106[Se]([H])C(F)C(F)=CInChI=1S/C3H4F2Se/c1-2(4)3(5)6/h3,6H,1H2InChIKey=XEEQSVZLOCCSTM-UHFFFAOYSA-N75.0Ex 75.00(BP est) -68.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(F)=C -68.8Pred
[SeH]C(F)C=CF15621157.022C3H4F2Se1,3-difluoroprop-2-ene-1-selenolN106[Se]([H])C(F)C=CFInChI=1S/C3H4F2Se/c4-2-1-3(5)6/h1-3,6HInChIKey=GKSOKHWHTJXXLT-UHFFFAOYSA-N91.2Ex 91.17(BP est) -58.77(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C=CF -58.8Pred
FC(F)C1C[Se]115622157.022C3H4F2Se2-(difluoromethyl)seleniraneN106FC(F)C1C[Se]1InChI=1S/C3H4F2Se/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=ZPZBNFIEDRSKFU-UHFFFAOYSA-N83.3Ex 83.28(BP est) -55.99(MP est) ----(BP exp) ----(MP exp) FC(F)C1C[Se]1 -56Pred
FC1(F)C(C)[Se]115623157.022C3H4F2Se2,2-difluoro-3-methylseleniraneN106FC1(F)C(C)[Se]1InChI=1S/C3H4F2Se/c1-2-3(4,5)6-2/h2H,1H3InChIKey=RSAAEZCEEUSWBH-UHFFFAOYSA-N78.0Ex 77.96(BP est) -40.21(MP est) ----(BP exp) ----(MP exp) FC1(F)C(C)[Se]1 -40.2Pred
[SeH]C1C(F)(F)C115624157.022C3H4F2Se2,2-difluorocyclopropane-1-selenolN106[Se]([H])C1C(F)(F)C1InChI=1S/C3H4F2Se/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=SPVAFUSBYYTURU-UHFFFAOYSA-N82.5Ex 82.52(BP est) -32.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)(F)C1 -32.5Pred
FC1(F)[Se]CC115625157.022C3H4F2Se2,2-difluoroselenetaneN106FC1(F)[Se]CC1InChI=1S/C3H4F2Se/c4-3(5)1-2-6-3/h1-2H2InChIKey=LVTSYEPOFQFOEO-UHFFFAOYSA-N87.4Ex 87.38(BP est) -37.11(MP est) ----(BP exp) ----(MP exp) FC1(F)[Se]CC1 -37.1Pred
FC1C(C)(F)[Se]115626157.022C3H4F2Se2,3-difluoro-2-methylseleniraneN106FC1C(C)(F)[Se]1InChI=1S/C3H4F2Se/c1-3(5)2(4)6-3/h2H,1H3InChIKey=UPCJLAFGBKRFLR-UHFFFAOYSA-N78.0Ex 77.96(BP est) -40.21(MP est) ----(BP exp) ----(MP exp) FC1C(C)(F)[Se]1 -40.2Pred
[SeH]C1C(F)C1F15627157.022C3H4F2Se2,3-difluorocyclopropane-1-selenolN106[Se]([H])C1C(F)C1FInChI=1S/C3H4F2Se/c4-1-2(5)3(1)6/h1-3,6HInChIKey=RJZWPVNCWJZERA-UHFFFAOYSA-N88.4Ex 88.37(BP est) -44.82(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)C1F -44.8Pred
[SeH]CC(F)=CF15628157.022C3H4F2Se2,3-difluoroprop-2-ene-1-selenolN106[Se]([H])CC(F)=CFInChI=1S/C3H4F2Se/c4-1-3(5)2-6/h1,6H,2H2InChIKey=DWNSQCPBRAGJBG-UHFFFAOYSA-N99.2Ex 99.15(BP est) -55.92(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)=CF -55.9Pred
FC1[Se]CC1F15629157.022C3H4F2Se2,3-difluoroselenetaneN106FC1[Se]CC1FInChI=1S/C3H4F2Se/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=KPRVJAWMPDJTDD-UHFFFAOYSA-N93.2Ex 93.18(BP est) -49.48(MP est) ----(BP exp) ----(MP exp) FC1[Se]CC1F -49.5Pred
FC1CC(F)[Se]115630157.022C3H4F2Se2,4-difluoroselenetaneN106FC1CC(F)[Se]1InChI=1S/C3H4F2Se/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=CHNRUVYOKDIVKH-UHFFFAOYSA-N93.2Ex 93.18(BP est) -49.48(MP est) ----(BP exp) ----(MP exp) FC1CC(F)[Se]1 -49.5Pred
FC1(CF)C[Se]115631157.022C3H4F2Se2-fluoro-2-(fluoromethyl)seleniraneN106FC1(CF)C[Se]1InChI=1S/C3H4F2Se/c4-1-3(5)2-6-3/h1-2H2InChIKey=MQMQJOUPABJWOU-UHFFFAOYSA-N85.1Ex 85.13(BP est) -36.00(MP est) ----(BP exp) ----(MP exp) FC1(CF)C[Se]1 -36Pred
FC1C(CF)[Se]115632157.022C3H4F2Se2-fluoro-3-(fluoromethyl)seleniraneN106FC1C(CF)[Se]1InChI=1S/C3H4F2Se/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=AFDMPIAIBLMFTI-UHFFFAOYSA-N91.0Ex 90.95(BP est) -48.37(MP est) ----(BP exp) ----(MP exp) FC1C(CF)[Se]1 -48.4Pred
[SeH]CC=C(F)F15633157.022C3H4F2Se3,3-difluoroprop-2-ene-1-selenolN106[Se]([H])CC=C(F)FInChI=1S/C3H4F2Se/c4-3(5)1-2-6/h1,6H,2H2InChIKey=IWXGSPCSCMUUIW-UHFFFAOYSA-N99.2Ex 99.15(BP est) -55.92(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(F)F -55.9Pred
FC1(F)C[Se]C115634157.022C3H4F2Se3,3-difluoroselenetaneN106FC1(F)C[Se]C1InChI=1S/C3H4F2Se/c4-3(5)1-6-2-3/h1-2H2InChIKey=DZBWQDNQLRWJBM-UHFFFAOYSA-N87.4Ex 87.38(BP est) -37.11(MP est) ----(BP exp) ----(MP exp) FC1(F)C[Se]C1 -37.1Pred
O=[Se](O)C(O)C15635157.027C2H6O3Se1-hydroxyethane-1-seleninic acidN126O=[Se](O)C(O)CInChI=1S/C2H6O3Se/c1-2(3)6(4)5/h2-3H,1H3,(H,4,5)InChIKey=ANDKURTWCSMUIV-UHFFFAOYSA-N218.6Ex 218.60(BP est) 28.42(MP est) ----(BP exp) ----(MP exp) O=[Se](O)C(O)C 28.4Pred
O=[Se](O)CCO15636157.027C2H6O3Se2-hydroxyethane-1-seleninic acidN126O=[Se](O)CCOInChI=1S/C2H6O3Se/c3-1-2-6(4)5/h3H,1-2H2,(H,4,5)InChIKey=FVFHWFMJYKADIX-UHFFFAOYSA-N235.9Ex 235.86(BP est) 40.96(MP est) ----(BP exp) ----(MP exp) O=[Se](O)CCO 41Pred
O=[Se](OC)OC15637157.027C2H6O3Sedimethyl seleniteN126O=[Se](OC)OCInChI=1S/C2H6O3Se/c1-4-6(3)5-2/h1-2H3InChIKey=NTEFHFJOCXLHIX-UHFFFAOYSA-N106.8Ex 106.82(BP est) -35.30(MP est) ----(BP exp) ----(MP exp) O=[Se](OC)OC -35.3Pred
O=[Se](O)OCC15638157.027C2H6O3Seethyl hydrogen seleniteN126O=[Se](O)OCCInChI=1S/C2H6O3Se/c1-2-5-6(3)4/h2H2,1H3,(H,3,4)InChIKey=MPJNXIGENRPHKF-UHFFFAOYSA-N183.3Ex 183.27(BP est) 6.31(MP est) ----(BP exp) ----(MP exp) O=[Se](O)OCC 6.3Pred
C[Se][Se](C)=O15639203.989C2H6OSe2Se-methyl methaneseleninoselenoateN115C[Se][Se](C)=OInChI=1S/C2H6OSe2/c1-4-5(2)3/h1-2H3InChIKey=DIOJPEAANQTOOU-UHFFFAOYSA-N146.4Ex 146.44(BP est) 1.53(MP est) ----(BP exp) ----(MP exp) C[Se][Se](C)=O 1.5Pred
C[Se]C(C)Cl15640157.499C3H7ClSe(1-chloroethyl)(methyl)selaneN125C[Se]C(C)ClInChI=1S/C3H7ClSe/c1-3(4)5-2/h3H,1-2H3InChIKey=JAXGTPMVMKBMIB-UHFFFAOYSA-N127.5Ex 127.52(BP est) -39.44(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)Cl -39.4Pred
C[Se]CCCl15641157.499C3H7ClSe(2-chloroethyl)(methyl)selaneN125C[Se]CCClInChI=1S/C3H7ClSe/c1-5-3-2-4/h2-3H2,1H3InChIKey=OINGAYIROOHUJB-UHFFFAOYSA-N153.3Ex 153.30(BP est) -24.41(MP est) ----(BP exp) ----(MP exp) C[Se]CCCl -24.4Pred
ClC[Se]CC15642157.499C3H7ClSe(chloromethyl)(ethyl)selaneN125ClC[Se]CCInChI=1S/C3H7ClSe/c1-2-5-3-4/h2-3H2,1H3InChIKey=FUPWPIDERSHONX-UHFFFAOYSA-N153.3Ex 153.30(BP est) -24.41(MP est) ----(BP exp) ----(MP exp) ClC[Se]CC -24.4Pred
[SeH]C(CC)Cl15643157.499C3H7ClSe1-chloropropane-1-selenolN125[Se]([H])C(CC)ClInChI=1S/C3H7ClSe/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=ABLLQRKQHDJJQT-UHFFFAOYSA-N129.6Ex 129.64(BP est) -30.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)Cl -30.6Pred
[SeH]C(CCl)C15644157.499C3H7ClSe1-chloropropane-2-selenolN125[Se]([H])C(CCl)CInChI=1S/C3H7ClSe/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=WQVKVJFWQJPKFT-UHFFFAOYSA-N142.0Ex 142.00(BP est) -27.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)C -27Pred
[SeH]CC(C)Cl15645157.499C3H7ClSe2-chloropropane-1-selenolN125[Se]([H])CC(C)ClInChI=1S/C3H7ClSe/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=ZDAJXSJDFLTTGQ-UHFFFAOYSA-N129.6Ex 129.64(BP est) -30.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)Cl -30.6Pred
[SeH]C(Cl)(C)C15646157.499C3H7ClSe2-chloropropane-2-selenolN125[Se]([H])C(Cl)(C)CInChI=1S/C3H7ClSe/c1-3(2,4)5/h5H,1-2H3InChIKey=CUPJDODHNWOWCG-UHFFFAOYSA-N107.7Ex 107.72(BP est) -28.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(C)C -28.3Pred
[SeH]CCCCl15647157.499C3H7ClSe3-chloropropane-1-selenolN125[Se]([H])CCCClInChI=1S/C3H7ClSe/c4-2-1-3-5/h5H,1-3H2InChIKey=LFOKVRSONJJKNS-UHFFFAOYSA-N155.3Ex 155.33(BP est) -15.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCl -15.6Pred
NP(N)(N)=[Se]15648158.003H6N3PSephosphoroselenoic triamideN115NP(N)(N)=[Se]InChI=1S/H6N3PSe/c1-4(2,3)5/h(H6,1,2,3,5)InChIKey=JVGCXXINAVNCIL-UHFFFAOYSA-N235.8Ex 594.01(BP est) 256.51(MP est) ----(BP exp) ----(MP exp) NP(N)(N)=[Se] 256.5Pred
CP(O)(O)=[Se]15649158.983CH5O2PSemethylphosphonoselenoic O,O-acidN105CP(O)(O)=[Se]InChI=1S/CH5O2PSe/c1-4(2,3)5/h1H3,(H2,2,3,5)InChIKey=SKDTUTPYQSMPOC-UHFFFAOYSA-N268.5Ex 268.54(BP est) 50.64(MP est) ----(BP exp) ----(MP exp) CP(O)(O)=[Se] 50.6Pred
NP(N)(O)=[Se]15650158.987H5N2OPSephosphorodiamidoselenoic O-acidN105NP(N)(O)=[Se]InChI=1S/H5N2OPSe/c1-4(2,3)5/h(H5,1,2,3,5)InChIKey=WZFYSGFZYQTVLD-UHFFFAOYSA-N238.9Ex 615.23(BP est) 266.42(MP est) ----(BP exp) ----(MP exp) NP(N)(O)=[Se] 266.4Pred
C[Se]C(C)(F)F15651159.038C3H6F2Se(1,1-difluoroethyl)(methyl)selaneN126C[Se]C(C)(F)FInChI=1S/C3H6F2Se/c1-3(4,5)6-2/h1-2H3InChIKey=AXZRBMAQOPJEOD-UHFFFAOYSA-N71.5Ex 71.47(BP est) -61.46(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(F)F -61.5Pred
C[Se]C(F)CF15652159.038C3H6F2Se(1,2-difluoroethyl)(methyl)selaneN126C[Se]C(F)CFInChI=1S/C3H6F2Se/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=PYSTXZUOLOXKEP-UHFFFAOYSA-N81.3Ex 81.34(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)CF -67.3Pred
FC[Se]C(F)C15653159.038C3H6F2Se(1-fluoroethyl)(fluoromethyl)selaneN126FC[Se]C(F)CInChI=1S/C3H6F2Se/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=MWNYYQJCXSMAOA-UHFFFAOYSA-N81.3Ex 81.34(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) FC[Se]C(F)C -67.3Pred
C[Se]CC(F)F15654159.038C3H6F2Se(2,2-difluoroethyl)(methyl)selaneN126C[Se]CC(F)FInChI=1S/C3H6F2Se/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=BKSZIMAQMUHOAJ-UHFFFAOYSA-N81.3Ex 81.34(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) C[Se]CC(F)F -67.3Pred
FC[Se]CCF15655159.038C3H6F2Se(2-fluoroethyl)(fluoromethyl)selaneN126FC[Se]CCFInChI=1S/C3H6F2Se/c4-1-2-6-3-5/h1-3H2InChIKey=WHXNGTNJKUJLMS-UHFFFAOYSA-N96.1Ex 96.08(BP est) -55.49(MP est) ----(BP exp) ----(MP exp) FC[Se]CCF -55.5Pred
FC(F)[Se]CC15656159.038C3H6F2Se(difluoromethyl)(ethyl)selaneN126FC(F)[Se]CCInChI=1S/C3H6F2Se/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=RTZIUFXRAOHXMO-UHFFFAOYSA-N81.3Ex 81.34(BP est) -67.29(MP est) ----(BP exp) ----(MP exp) FC(F)[Se]CC -67.3Pred
[SeH]C(CC)(F)F15657159.038C3H6F2Se1,1-difluoropropane-1-selenolN126[Se]([H])C(CC)(F)FInChI=1S/C3H6F2Se/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=QQSTZDCVZDFWRM-UHFFFAOYSA-N73.8Ex 73.79(BP est) -52.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(F)F -52.6Pred
[SeH]C(C)C(F)F15658159.038C3H6F2Se1,1-difluoropropane-2-selenolN126[Se]([H])C(C)C(F)FInChI=1S/C3H6F2Se/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=GJAAFLLXWYUNQX-UHFFFAOYSA-N68.6Ex 68.61(BP est) -70.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(F)F -70.3Pred
[SeH]C(F)C(F)C15659159.038C3H6F2Se1,2-difluoropropane-1-selenolN126[Se]([H])C(F)C(F)CInChI=1S/C3H6F2Se/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=RBVMWFMTPDQKMR-UHFFFAOYSA-N68.6Ex 68.61(BP est) -70.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(F)C -70.3Pred
[SeH]C(CF)(F)C15660159.038C3H6F2Se1,2-difluoropropane-2-selenolN126[Se]([H])C(CF)(F)CInChI=1S/C3H6F2Se/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=KQNPZOACSAQFML-UHFFFAOYSA-N73.8Ex 73.79(BP est) -52.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(F)C -52.6Pred
[SeH]C(F)CCF15661159.038C3H6F2Se1,3-difluoropropane-1-selenolN126[Se]([H])C(F)CCFInChI=1S/C3H6F2Se/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=VGCXOEANEGFAJM-UHFFFAOYSA-N83.6Ex 83.62(BP est) -58.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CCF -58.4Pred
[SeH]C(CF)CF15662159.038C3H6F2Se1,3-difluoropropane-2-selenolN126[Se]([H])C(CF)CFInChI=1S/C3H6F2Se/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=NYBUBQRQTCBURI-UHFFFAOYSA-N83.6Ex 83.62(BP est) -58.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)CF -58.4Pred
[SeH]CC(C)(F)F15663159.038C3H6F2Se2,2-difluoropropane-1-selenolN126[Se]([H])CC(C)(F)FInChI=1S/C3H6F2Se/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=RBHUFEJBSWUBEP-UHFFFAOYSA-N73.8Ex 73.79(BP est) -52.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(F)F -52.6Pred
[SeH]CC(F)CF15664159.038C3H6F2Se2,3-difluoropropane-1-selenolN126[Se]([H])CC(F)CFInChI=1S/C3H6F2Se/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=HLAWXZFXJRKZMS-UHFFFAOYSA-N83.6Ex 83.62(BP est) -58.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)CF -58.4Pred
[SeH]CCC(F)F15665159.038C3H6F2Se3,3-difluoropropane-1-selenolN126[Se]([H])CCC(F)FInChI=1S/C3H6F2Se/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=LCLGGJMRXMRJHR-UHFFFAOYSA-N83.6Ex 83.62(BP est) -58.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(F)F -58.4Pred
[Se]=C=C=C=C=[Se]15666205.964C4Se2buta-1,2,3-triene-1,4-diselenoneN66[Se]=C=C=C=C=[Se]InChI=1S/C4Se2/c5-3-1-2-4-6InChIKey=SQUOMOBBIUQCKU-UHFFFAOYSA-N207.8Ex 207.78(BP est) 33.36(MP est) ----(BP exp) ----(MP exp) [Se]=C=C=C=C=[Se] 33.4Pred
C[Se][Se]CF15667205.98C2H5FSe21-(fluoromethyl)-2-methyldiselaneN105C[Se][Se]CFInChI=1S/C2H5FSe2/c1-4-5-2-3/h2H2,1H3InChIKey=SYPRNZURUFXEAY-UHFFFAOYSA-N158.1Ex 158.12(BP est) 4.20(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CF 4.2Pred
ClC1(F)C[Se]115668159.446C2H2ClFSe2-chloro-2-fluoroseleniraneN75ClC1(F)C[Se]1InChI=1S/C2H2ClFSe/c3-2(4)1-5-2/h1H2InChIKey=YFLHAGBVOZPLJB-UHFFFAOYSA-N97.1Ex 97.07(BP est) -23.49(MP est) ----(BP exp) ----(MP exp) ClC1(F)C[Se]1 -23.5Pred
ClC1C(F)[Se]115669159.446C2H2ClFSe2-chloro-3-fluoroseleniraneN75ClC1C(F)[Se]1InChI=1S/C2H2ClFSe/c3-1-2(4)5-1/h1-2HInChIKey=UBDLOQWYQJWQHX-UHFFFAOYSA-N115.7Ex 115.67(BP est) -32.13(MP est) ----(BP exp) ----(MP exp) ClC1C(F)[Se]1 -32.1Pred
[Se]=P(N)(O)O15670159.971H4NO2PSephosphoramidoselenoic O,O-acidN95[Se]=P(N)(O)OInChI=1S/H4NO2PSe/c1-4(2,3)5/h(H4,1,2,3,5)InChIKey=PPWVVWDYIUYFKZ-UHFFFAOYSA-N241.6Ex 636.45(BP est) 276.34(MP est) ----(BP exp) ----(MP exp) [Se]=P(N)(O)O 276.3Pred
[Se]=P(O)(O)O15671160.955H3O3PSephosphoroselenoic O,O,O-acidN85[Se]=P(O)(O)OInChI=1S/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)InChIKey=JRPHGDYSKGJTKZ-UHFFFAOYSA-N243.9Ex 657.67(BP est) 286.25(MP est) ----(BP exp) ----(MP exp) [Se]=P(O)(O)O 286.3Pred
FC1C(F)(F)[Se]115672160.985C2HF3Se2,2,3-trifluoroseleniraneN76FC1C(F)(F)[Se]1InChI=1S/C2HF3Se/c3-1-2(4,5)6-1/h1HInChIKey=FQAYWPLEKJQOIJ-UHFFFAOYSA-N55.2Ex 55.19(BP est) -52.20(MP est) ----(BP exp) ----(MP exp) FC1C(F)(F)[Se]1 -52.2Pred
C[Se]C(Cl)F15673161.462C2H4ClFSe(chlorofluoromethyl)(methyl)selaneN95C[Se]C(Cl)FInChI=1S/C2H4ClFSe/c1-5-2(3)4/h2H,1H3InChIKey=DQRLNUOPUVJUNG-UHFFFAOYSA-N106.4Ex 106.43(BP est) -50.93(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)F -50.9Pred
ClC[Se]CF15674161.462C2H4ClFSe(chloromethyl)(fluoromethyl)selaneN95ClC[Se]CFInChI=1S/C2H4ClFSe/c3-1-5-2-4/h1-2H2InChIKey=AZMPKJXPMJSWKB-UHFFFAOYSA-N133.2Ex 133.15(BP est) -35.63(MP est) ----(BP exp) ----(MP exp) ClC[Se]CF -35.6Pred
[SeH]C(C)(Cl)F15675161.462C2H4ClFSe1-chloro-1-fluoroethane-1-selenolN95[Se]([H])C(C)(Cl)FInChI=1S/C2H4ClFSe/c1-2(3,4)5/h5H,1H3InChIKey=HALSXRNKRCJOPB-UHFFFAOYSA-N85.9Ex 85.94(BP est) -40.02(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(Cl)F -40Pred
[SeH]C(Cl)CF15676161.462C2H4ClFSe1-chloro-2-fluoroethane-1-selenolN95[Se]([H])C(Cl)CFInChI=1S/C2H4ClFSe/c3-2(5)1-4/h2,5H,1H2InChIKey=OZGFCQYQETZSDH-UHFFFAOYSA-N108.6Ex 108.63(BP est) -42.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)CF -42.1Pred
[SeH]C(F)CCl15677161.462C2H4ClFSe2-chloro-1-fluoroethane-1-selenolN95[Se]([H])C(F)CClInChI=1S/C2H4ClFSe/c3-1-2(4)5/h2,5H,1H2InChIKey=OVJZSCFWZILXDL-UHFFFAOYSA-N121.4Ex 121.43(BP est) -38.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CCl -38.4Pred
[SeH]CC(Cl)F15678161.462C2H4ClFSe2-chloro-2-fluoroethane-1-selenolN95[Se]([H])CC(Cl)FInChI=1S/C2H4ClFSe/c3-2(4)1-5/h2,5H,1H2InChIKey=DSWAUWRZUGKGOQ-UHFFFAOYSA-N108.6Ex 108.63(BP est) -42.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)F -42.1Pred
FC[Se]C(F)F15679163.001C2H3F3Se(difluoromethyl)(fluoromethyl)selaneN96FC[Se]C(F)FInChI=1S/C2H3F3Se/c3-1-6-2(4)5/h2H,1H2InChIKey=HEQVKRVOULJMGG-UHFFFAOYSA-N58.7Ex 58.67(BP est) -79.25(MP est) ----(BP exp) ----(MP exp) FC[Se]C(F)F -79.3Pred
[SeH]C(CF)(F)F15680163.001C2H3F3Se1,1,2-trifluoroethane-1-selenolN96[Se]([H])C(CF)(F)FInChI=1S/C2H3F3Se/c3-1-2(4,5)6/h6H,1H2InChIKey=UQMMZTOOGCDHCN-UHFFFAOYSA-N50.9Ex 50.87(BP est) -64.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(F)F -64.6Pred
[SeH]C(F)C(F)F15681163.001C2H3F3Se1,2,2-trifluoroethane-1-selenolN96[Se]([H])C(F)C(F)FInChI=1S/C2H3F3Se/c3-1(4)2(5)6/h1-2,6HInChIKey=PDSVOOJQSVWSNA-UHFFFAOYSA-N45.5Ex 45.53(BP est) -82.40(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(F)F -82.4Pred
[SeH]CC(F)(F)F15682163.001C2H3F3Se2,2,2-trifluoroethane-1-selenolN96[Se]([H])CC(F)(F)FInChI=1S/C2H3F3Se/c3-2(4,5)1-6/h6H,1H2InChIKey=XRSABBVRKYWGAU-UHFFFAOYSA-N50.9Ex 50.87(BP est) -64.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)(F)F -64.6Pred
C[Se]C(F)(F)F15683163.001C2H3F3Semethyl(trifluoromethyl)selaneN96C[Se]C(F)(F)FInChI=1S/C2H3F3Se/c1-6-2(3,4)5/h1H3InChIKey=JTYFGEIPDDTBLR-UHFFFAOYSA-N48.5Ex 48.48(BP est) -73.51(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)(F)F -73.5Pred
C1=CC=C[Se][Se]115684209.996C4H4Se21,2-diselenineN106C1=CC=C[Se][Se]1InChI=1S/C4H4Se2/c1-2-4-6-5-3-1/h1-4HInChIKey=WZAWCPIJJVPMHE-UHFFFAOYSA-N213.8Ex 213.81(BP est) 31.41(MP est) ----(BP exp) ----(MP exp) C1=CC=C[Se][Se]1 31.4Pred
C1=C[Se]C=C[Se]115685209.996C4H4Se21,4-diselenineN106C1=C[Se]C=C[Se]1InChI=1S/C4H4Se2/c1-2-6-4-3-5-1/h1-4HInChIKey=XUEGRAQVUUSOQP-UHFFFAOYSA-N213.8Ex 213.81(BP est) 31.41(MP est) ----(BP exp) ----(MP exp) C1=C[Se]C=C[Se]1 31.4Pred
C=C1[Se]C=C[Se]115686209.996C4H4Se22-methylene-1,3-diselenoleN106C=C1[Se]C=C[Se]1InChI=1S/C4H4Se2/c1-4-5-2-3-6-4/h2-3H,1H2InChIKey=LGRGXKFCGXTLJR-UHFFFAOYSA-N204.6Ex 204.61(BP est) 26.43(MP est) ----(BP exp) ----(MP exp) C=C1[Se]C=C[Se]1 26.4Pred
C=C1C=C[Se][Se]115687209.996C4H4Se23-methylene-3H-1,2-diselenoleN106C=C1C=C[Se][Se]1InChI=1S/C4H4Se2/c1-4-2-3-5-6-4/h2-3H,1H2InChIKey=ARFRIYKUNLSIHZ-UHFFFAOYSA-N204.6Ex 204.61(BP est) 26.43(MP est) ----(BP exp) ----(MP exp) C=C1C=C[Se][Se]1 26.4Pred
[SeH]C1=CC=C[Se]115688209.996C4H4Se2selenophene-2-selenolN106[Se]([H])C1=CC=C[Se]1InChI=1S/C4H4Se2/c5-4-2-1-3-6-4/h1-3,5HInChIKey=XVKLMQRUOSSAPZ-UHFFFAOYSA-N217.2Ex 217.16(BP est) 35.04(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CC=C[Se]1 35Pred
[SeH]C1=C[Se]C=C115689209.996C4H4Se2selenophene-3-selenolN106[Se]([H])C1=C[Se]C=C1InChI=1S/C4H4Se2/c5-4-1-2-6-3-4/h1-3,5HInChIKey=NKENMJICBKJOGG-UHFFFAOYSA-N217.2Ex 217.16(BP est) 35.04(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=C[Se]C=C1 35Pred
[SeH]C(Cl)Cl15690163.887CH2Cl2SedichloromethaneselenolN64[Se]([H])C(Cl)ClInChI=1S/CH2Cl2Se/c2-1(3)4/h1,4HInChIKey=XDCOLMNGCFTZSU-UHFFFAOYSA-N132.7Ex 132.67(BP est) -26.06(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)Cl -26.1Pred
N#CC([Se]C)=[Se]15691210.984C3H3NSe2methyl carbonocyanidodiselenoateN96N#CC([Se]C)=[Se]InChI=1S/C3H3NSe2/c1-6-3(5)2-4/h1H3InChIKey=TXZRHTATDHFRPY-UHFFFAOYSA-N253.5Ex 253.54(BP est) 58.01(MP est) ----(BP exp) ----(MP exp) N#CC([Se]C)=[Se] 58Pred
[Se]=C1N=CC[Se]115692210.984C3H3NSe21,3-selenazole-2(5H)-selenoneN96[Se]=C1N=CC[Se]1InChI=1S/C3H3NSe2/c5-3-4-1-2-6-3/h1H,2H2InChIKey=BOHZDDOKWLIRAM-UHFFFAOYSA-N224.9Ex 224.86(BP est) 53.39(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=CC[Se]1 53.4Pred
[SeH]C1=NC=C[Se]115693210.984C3H3NSe21,3-selenazole-2-selenolN96[Se]([H])C1=NC=C[Se]1InChI=1S/C3H3NSe2/c5-3-4-1-2-6-3/h1-2H,(H,4,5)InChIKey=WBWSIEXLEAFDGT-UHFFFAOYSA-N257.1Ex 257.08(BP est) 67.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NC=C[Se]1 67.6Pred
[Se]=C1C[Se]C=N115694210.984C3H3NSe21,3-selenazole-4(5H)-selenoneN96[Se]=C1C[Se]C=N1InChI=1S/C3H3NSe2/c5-3-1-6-2-4-3/h2H,1H2InChIKey=LJMIYJZWQASALP-UHFFFAOYSA-N224.9Ex 224.86(BP est) 53.39(MP est) ----(BP exp) ----(MP exp) [Se]=C1C[Se]C=N1 53.4Pred
[SeH]C1=C[Se]C=N115695210.984C3H3NSe21,3-selenazole-4-selenolN96[Se]([H])C1=C[Se]C=N1InChI=1S/C3H3NSe2/c5-3-1-6-2-4-3/h1-2,5HInChIKey=OXMFSQSXNHRXSK-UHFFFAOYSA-N257.1Ex 257.08(BP est) 67.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=C[Se]C=N1 67.6Pred
[Se]=C1CN=C[Se]115696210.984C3H3NSe21,3-selenazole-5(4H)-selenoneN96[Se]=C1CN=C[Se]1InChI=1S/C3H3NSe2/c5-3-1-4-2-6-3/h2H,1H2InChIKey=MOWZQRILEAWAHE-UHFFFAOYSA-N224.9Ex 224.86(BP est) 53.39(MP est) ----(BP exp) ----(MP exp) [Se]=C1CN=C[Se]1 53.4Pred
[SeH]C1=CN=C[Se]115697210.984C3H3NSe21,3-selenazole-5-selenolN96[Se]([H])C1=CN=C[Se]1InChI=1S/C3H3NSe2/c5-3-1-4-2-6-3/h1-2,5HInChIKey=BOIZPJNSACPZDE-UHFFFAOYSA-N257.1Ex 257.08(BP est) 67.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CN=C[Se]1 67.6Pred
O=C1[Se]C=C[Se]115698211.968C3H2OSe21,3-diselenol-2-oneN86O=C1[Se]C=C[Se]1InChI=1S/C3H2OSe2/c4-3-5-1-2-6-3/h1-2HInChIKey=XHTTXGOCCMGINC-UHFFFAOYSA-N243.5Ex 243.45(BP est) 54.26(MP est) ----(BP exp) ----(MP exp) O=C1[Se]C=C[Se]1 54.3Pred
O=C1[Se][Se]C=C115699211.968C3H2OSe23H-1,2-diselenol-3-oneN86O=C1[Se][Se]C=C1InChI=1S/C3H2OSe2/c4-3-1-2-5-6-3/h1-2HInChIKey=DHZTVJKOWMINRZ-UHFFFAOYSA-N243.5Ex 243.45(BP est) 54.26(MP est) ----(BP exp) ----(MP exp) O=C1[Se][Se]C=C1 54.3Pred
[SeH]C1=C[Se]N=N115700211.972C2H2N2Se21,2,3-selenadiazole-4-selenolN86[Se]([H])C1=C[Se]N=N1InChI=1S/C2H2N2Se2/c5-2-1-6-4-3-2/h1,5HInChIKey=ZTUFJRNEJVVAFV-UHFFFAOYSA-N293.2Ex 293.23(BP est) 98.49(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=C[Se]N=N1 98.5Pred
[Se]=C1N=CN[Se]115701211.972C2H2N2Se21,2,4-selenadiazole-5(2H)-selenoneN86[Se]=C1N=CN[Se]1InChI=1S/C2H2N2Se2/c5-2-3-1-4-6-2/h1H,(H,3,4,5)InChIKey=XIZVXDXVVORGNY-UHFFFAOYSA-N339.8Ex 339.76(BP est) 118.66(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=CN[Se]1 118.7Pred
[SeH]C1=NN=C[Se]115702211.972C2H2N2Se21,3,4-selenadiazole-2-selenolN86[Se]([H])C1=NN=C[Se]1InChI=1S/C2H2N2Se2/c5-2-4-3-1-6-2/h1H,(H,4,5)InChIKey=RPFOQUGUZRBUOP-UHFFFAOYSA-N293.2Ex 293.23(BP est) 98.49(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NN=C[Se]1 98.5Pred
C=C[Se][Se]C=C15703212.012C4H6Se21,2-divinyldiselaneN126C=C[Se][Se]C=CInChI=1S/C4H6Se2/c1-3-5-6-4-2/h3-4H,1-2H2InChIKey=AKCWTRGMNPWISX-UHFFFAOYSA-N194.8Ex 194.81(BP est) 24.13(MP est) ----(BP exp) ----(MP exp) C=C[Se][Se]C=C 24.1Pred
C[Se][Se]CC#C15704212.012C4H6Se21-methyl-2-(prop-2-yn-1-yl)diselaneN126C[Se][Se]CC#CInChI=1S/C4H6Se2/c1-3-4-6-5-2/h1H,4H2,2H3InChIKey=OPZKSWSUGFMWAY-UHFFFAOYSA-N204.8Ex 204.78(BP est) 29.10(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CC#C 29.1Pred
C1(C2[Se]C2)C[Se]115705212.012C4H6Se22,2'-biseleniraneN126C1(C2[Se]C2)C[Se]1InChI=1S/C4H6Se2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2InChIKey=RYHKDPSAFLEWHQ-UHFFFAOYSA-N200.9Ex 200.94(BP est) 26.40(MP est) ----(BP exp) ----(MP exp) C1(C2[Se]C2)C[Se]1 26.4Pred
[Se]1C=C[Se]CC115706212.012C4H6Se22,3-dihydro-1,4-diselenineN126[Se]1C=C[Se]CC1InChI=1S/C4H6Se2/c1-2-6-4-3-5-1/h1-2H,3-4H2InChIKey=VTPCSNVDOMAGJK-UHFFFAOYSA-N211.3Ex 211.27(BP est) 30.17(MP est) ----(BP exp) ----(MP exp) [Se]1C=C[Se]CC1 30.2Pred
C=C1[Se]CC[Se]115707212.012C4H6Se22-methylene-1,3-diselenolaneN126C=C1[Se]CC[Se]1InChI=1S/C4H6Se2/c1-4-5-2-3-6-4/h1-3H2InChIKey=SHCQGBYRBKUNLF-UHFFFAOYSA-N202.0Ex 202.02(BP est) 25.11(MP est) ----(BP exp) ----(MP exp) C=C1[Se]CC[Se]1 25.1Pred
[Se]1[Se]CCC=C115708212.012C4H6Se23,4-dihydro-1,2-diselenineN126[Se]1[Se]CCC=C1InChI=1S/C4H6Se2/c1-2-4-6-5-3-1/h1,3H,2,4H2InChIKey=ZRMIBLUVOSUABZ-UHFFFAOYSA-N211.3Ex 211.27(BP est) 30.17(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]CCC=C1 30.2Pred
CC1C=C[Se][Se]115709212.012C4H6Se23-methyl-3H-1,2-diselenoleN126CC1C=C[Se][Se]1InChI=1S/C4H6Se2/c1-4-2-3-5-6-4/h2-4H,1H3InChIKey=OBFLSOQOJKIBOE-UHFFFAOYSA-N203.8Ex 203.81(BP est) 27.02(MP est) ----(BP exp) ----(MP exp) CC1C=C[Se][Se]1 27Pred
C1C=C[Se]C[Se]115710212.012C4H6Se24H-1,3-diselenineN126C1C=C[Se]C[Se]1InChI=1S/C4H6Se2/c1-2-5-4-6-3-1/h1-2H,3-4H2InChIKey=VNKRREPYYHNVKO-UHFFFAOYSA-N211.3Ex 211.27(BP est) 30.17(MP est) ----(BP exp) ----(MP exp) C1C=C[Se]C[Se]1 30.2Pred
CC1=C[Se][Se]C115711212.012C4H6Se24-methyl-3H-1,2-diselenoleN126CC1=C[Se][Se]C1InChI=1S/C4H6Se2/c1-4-2-5-6-3-4/h2H,3H2,1H3InChIKey=CJASEIOYKANFJX-UHFFFAOYSA-N207.8Ex 207.81(BP est) 34.17(MP est) ----(BP exp) ----(MP exp) CC1=C[Se][Se]C1 34.2Pred
CC1=CC[Se][Se]115712212.012C4H6Se25-methyl-3H-1,2-diselenoleN126CC1=CC[Se][Se]1InChI=1S/C4H6Se2/c1-4-2-3-5-6-4/h2H,3H2,1H3InChIKey=MDNWYZQDLFGDGF-UHFFFAOYSA-N207.8Ex 207.81(BP est) 34.17(MP est) ----(BP exp) ----(MP exp) CC1=CC[Se][Se]1 34.2Pred
[Se]=CCCC=[Se]15713212.012C4H6Se2butanediselenalN126[Se]=CCCC=[Se]InChI=1S/C4H6Se2/c5-3-1-2-4-6/h3-4H,1-2H2InChIKey=KQFSCTNYPMOUEZ-UHFFFAOYSA-N207.6Ex 207.57(BP est) 31.47(MP est) ----(BP exp) ----(MP exp) [Se]=CCCC=[Se] 31.5Pred
[SeH]C(F)(Cl)F15714165.426CHClF2SechlorodifluoromethaneselenolN65[Se]([H])C(F)(Cl)FInChI=1S/CHClF2Se/c2-1(3,4)5/h5HInChIKey=DYCJHPFNOBHTEF-UHFFFAOYSA-N63.4Ex 63.42(BP est) -51.93(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)(Cl)F -51.9Pred
ClC#CC1C[Se]115715165.478C4H3ClSe2-(chloroethynyl)seleniraneN96ClC#CC1C[Se]1InChI=1S/C4H3ClSe/c5-2-1-4-3-6-4/h4H,3H2InChIKey=PSFAXUBKLVAUBG-UHFFFAOYSA-N166.8Ex 166.81(BP est) 16.34(MP est) ----(BP exp) ----(MP exp) ClC#CC1C[Se]1 16.3Pred
ClC1(C#C)C[Se]115716165.478C4H3ClSe2-chloro-2-ethynylseleniraneN96ClC1(C#C)C[Se]1InChI=1S/C4H3ClSe/c1-2-4(5)3-6-4/h1H,3H2InChIKey=BHBOHZJTGNUOPZ-UHFFFAOYSA-N149.2Ex 149.16(BP est) 26.18(MP est) ----(BP exp) ----(MP exp) ClC1(C#C)C[Se]1 26.2Pred
ClC1C(C#C)[Se]115717165.478C4H3ClSe2-chloro-3-ethynylseleniraneN96ClC1C(C#C)[Se]1InChI=1S/C4H3ClSe/c1-2-3-4(5)6-3/h1,3-4HInChIKey=UCZFBDCGGFKWDS-UHFFFAOYSA-N166.2Ex 166.17(BP est) 17.08(MP est) ----(BP exp) ----(MP exp) ClC1C(C#C)[Se]1 17.1Pred
N=C1[Se]CC[Se]115719213C3H5NSe21,3-diselenolan-2-imineN116N=C1[Se]CC[Se]1InChI=1S/C3H5NSe2/c4-3-5-1-2-6-3/h4H,1-2H2InChIKey=GSOGMISECVNJGF-UHFFFAOYSA-N246.1Ex 246.13(BP est) 62.73(MP est) ----(BP exp) ----(MP exp) N=C1[Se]CC[Se]1 62.7Pred
[SeH]C1NC=C[Se]115720213C3H5NSe22,3-dihydro-1,3-selenazole-2-selenolN116[Se]([H])C1NC=C[Se]1InChI=1S/C3H5NSe2/c5-3-4-1-2-6-3/h1-5HInChIKey=YGQMEKBRIDNEJQ-UHFFFAOYSA-N237.8Ex 237.81(BP est) 63.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1NC=C[Se]1 63.2Pred
[SeH]C1=C[Se]CN115721213C3H5NSe22,3-dihydro-1,3-selenazole-4-selenolN116[Se]([H])C1=C[Se]CN1InChI=1S/C3H5NSe2/c5-3-1-6-2-4-3/h1,4-5H,2H2InChIKey=ZWIKPRKJPQUEMZ-UHFFFAOYSA-N241.5Ex 241.49(BP est) 68.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=C[Se]CN1 68.9Pred
[SeH]C1N=CC[Se]115722213C3H5NSe22,5-dihydro-1,3-selenazole-2-selenolN116[Se]([H])C1N=CC[Se]1InChI=1S/C3H5NSe2/c5-3-4-1-2-6-3/h1,3,5H,2H2InChIKey=QQFTVRDMRDAMFI-UHFFFAOYSA-N219.8Ex 219.77(BP est) 46.87(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1N=CC[Se]1 46.9Pred
[SeH]C1=NCC[Se]115723213C3H5NSe24,5-dihydro-1,3-selenazole-2-selenolN116[Se]([H])C1=NCC[Se]1InChI=1S/C3H5NSe2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=DCCXIDUYQZYMKU-UHFFFAOYSA-N223.6Ex 223.63(BP est) 52.75(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NCC[Se]1 52.8Pred
[Se]=C1[Se]CCN115724213C3H5NSe21,3-selenazolidine-2-selenoneN116[Se]=C1[Se]CCN1InChI=1S/C3H5NSe2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=DCCXIDUYQZYMKU-UHFFFAOYSA-N240.3Ex 240.31(BP est) 68.33(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]CCN1 68.3Pred
[Se]=C1NC[Se]C115725213C3H5NSe21,3-selenazolidine-4-selenoneN116[Se]=C1NC[Se]C1InChI=1S/C3H5NSe2/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)InChIKey=NYIVFXDPNHATGQ-UHFFFAOYSA-N240.3Ex 240.31(BP est) 68.33(MP est) ----(BP exp) ----(MP exp) [Se]=C1NC[Se]C1 68.3Pred
CP(C)(C=C)=[Se]15727167.05C4H9PSedimethyl(vinyl)phosphine selenideN156CP(C)(C=C)=[Se]InChI=1S/C4H9PSe/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=LTGUMIWFSOPZGW-UHFFFAOYSA-N152.4Ex 152.44(BP est) -28.05(MP est) ----(BP exp) ----(MP exp) CP(C)(C=C)=[Se] -28.1Pred
O=C1CC[Se][Se]115728213.984C3H4OSe21,2-diselenolan-3-oneN106O=C1CC[Se][Se]1InChI=1S/C3H4OSe2/c4-3-1-2-5-6-3/h1-2H2InChIKey=MZULBLYYELPLHK-UHFFFAOYSA-N241.1Ex 241.10(BP est) 53.04(MP est) ----(BP exp) ----(MP exp) O=C1CC[Se][Se]1 53Pred
O=C1[Se]CC[Se]115729213.984C3H4OSe21,3-diselenolan-2-oneN106O=C1[Se]CC[Se]1InChI=1S/C3H4OSe2/c4-3-5-1-2-6-3/h1-2H2InChIKey=SXLRBTOFMQCCDV-UHFFFAOYSA-N241.1Ex 241.10(BP est) 53.04(MP est) ----(BP exp) ----(MP exp) O=C1[Se]CC[Se]1 53Pred
O=CC(=[Se])C[SeH]15730213.984C3H4OSe23-hydroseleno-2-selenoxopropanalN106O=CC(=[Se])C[Se]([H])InChI=1S/C3H4OSe2/c4-1-3(6)2-5/h1,5H,2H2InChIKey=CYXWVKRIORJVCA-UHFFFAOYSA-N228.7Ex 228.70(BP est) 46.13(MP est) ----(BP exp) ----(MP exp) O=CC(=[Se])C[Se]([H]) 46.1Pred
O=[Se]1[Se]CC=C115731213.984C3H4OSe23H-1,2-diselenole 1-oxideN106O=[Se]1[Se]CC=C1InChI=1S/C3H4OSe2/c4-6-3-1-2-5-6/h1,3H,2H2InChIKey=YFUOAJFCTVAWPJ-UHFFFAOYSA-N180.6Ex 180.64(BP est) 28.62(MP est) ----(BP exp) ----(MP exp) O=[Se]1[Se]CC=C1 28.6Pred
N=C1NC[Se][Se]115732213.988C2H4N2Se21,2,4-diselenazolidin-3-imineN106N=C1NC[Se][Se]1InChI=1S/C2H4N2Se2/c3-2-4-1-5-6-2/h1H2,(H2,3,4)InChIKey=XZMNCGUZQIDWNA-UHFFFAOYSA-N273.5Ex 273.49(BP est) 87.73(MP est) ----(BP exp) ----(MP exp) N=C1NC[Se][Se]1 87.7Pred
C1[Se][Se]CCC115733214.028C4H8Se21,2-diselenaneN146C1[Se][Se]CCC1InChI=1S/C4H8Se2/c1-2-4-6-5-3-1/h1-4H2InChIKey=AQEWARFCDLFXFL-UHFFFAOYSA-N208.7Ex 208.72(BP est) 28.92(MP est) ----(BP exp) ----(MP exp) C1[Se][Se]CCC1 28.9Pred
[Se]1C[Se]CCC115734214.028C4H8Se21,3-diselenaneN146[Se]1C[Se]CCC1InChI=1S/C4H8Se2/c1-2-5-4-6-3-1/h1-4H2InChIKey=JYCKDGYZEJGBNO-UHFFFAOYSA-N208.7Ex 208.72(BP est) 28.92(MP est) ----(BP exp) ----(MP exp) [Se]1C[Se]CCC1 28.9Pred
[Se]1CC[Se]CC115735214.028C4H8Se21,4-diselenaneN146[Se]1CC[Se]CC1InChI=1S/C4H8Se2/c1-2-6-4-3-5-1/h1-4H2InChIKey=MVSBZVVJFXEFNT-UHFFFAOYSA-N208.7Ex 208.72(BP est) 28.92(MP est) ----(BP exp) ----(MP exp) [Se]1CC[Se]CC1 28.9Pred
C[Se][Se]CC=C15736214.028C4H8Se21-allyl-2-methyldiselaneN146C[Se][Se]CC=CInChI=1S/C4H8Se2/c1-3-4-6-5-2/h3H,1,4H2,2H3InChIKey=CREZCFRTVRDBTN-UHFFFAOYSA-N196.3Ex 196.32(BP est) 25.44(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CC=C 25.4Pred
C[Se][Se]C1CC115737214.028C4H8Se21-cyclopropyl-2-methyldiselaneN146C[Se][Se]C1CC1InChI=1S/C4H8Se2/c1-5-6-4-2-3-4/h4H,2-3H2,1H3InChIKey=VJNYFEPZNGSKNY-UHFFFAOYSA-N201.2Ex 201.21(BP est) 25.76(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C1CC1 25.8Pred
C=C[Se][Se]CC15738214.028C4H8Se21-ethyl-2-vinyldiselaneN146C=C[Se][Se]CCInChI=1S/C4H8Se2/c1-3-5-6-4-2/h3H,1,4H2,2H3InChIKey=RPVOXYIMRMYCSS-UHFFFAOYSA-N196.3Ex 196.32(BP est) 25.44(MP est) ----(BP exp) ----(MP exp) C=C[Se][Se]CC 25.4Pred
CC=C[Se][Se]C15739214.028C4H8Se21-methyl-2-(prop-1-en-1-yl)diselaneN146CC=C[Se][Se]CInChI=1S/C4H8Se2/c1-3-4-6-5-2/h3-4H,1-2H3InChIKey=BCSUMXRSAZOFQQ-UHFFFAOYSA-N203.9Ex 203.94(BP est) 26.01(MP est) ----(BP exp) ----(MP exp) CC=C[Se][Se]C 26Pred
CC1[Se]CC[Se]115740214.028C4H8Se22-methyl-1,3-diselenolaneN146CC1[Se]CC[Se]1InChI=1S/C4H8Se2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3InChIKey=GFPGBGYTVKJAMS-UHFFFAOYSA-N201.2Ex 201.21(BP est) 25.76(MP est) ----(BP exp) ----(MP exp) CC1[Se]CC[Se]1 25.8Pred
C[Se]C([Se]C)=C15741214.028C4H8Se2ethene-1,1-diylbis(methylselane)N146C[Se]C([Se]C)=CInChI=1S/C4H8Se2/c1-4(5-2)6-3/h1H2,2-3H3InChIKey=IAYXIBHKHZEFJV-UHFFFAOYSA-N190.8Ex 190.80(BP est) 16.85(MP est) ----(BP exp) ----(MP exp) C[Se]C([Se]C)=C 16.9Pred
CC[Se]C(C)=[Se]15742214.028C4H8Se2ethyl ethanediselenoateN146CC[Se]C(C)=[Se]InChI=1S/C4H8Se2/c1-3-6-4(2)5/h3H2,1-2H3InChIKey=OPKYBMJJHPFOBU-UHFFFAOYSA-N197.3Ex 197.29(BP est) 26.54(MP est) ----(BP exp) ----(MP exp) CC[Se]C(C)=[Se] 26.5Pred
C[Se]C(C#C)Cl15743167.494C4H5ClSe(1-chloroprop-2-yn-1-yl)(methyl)selaneN116C[Se]C(C#C)ClInChI=1S/C4H5ClSe/c1-3-4(5)6-2/h1,4H,2H3InChIKey=MJMLOANRYPQJNE-UHFFFAOYSA-N157.7Ex 157.72(BP est) -1.50(MP est) ----(BP exp) ----(MP exp) C[Se]C(C#C)Cl -1.5Pred
C=C[Se]C(Cl)=C15744167.494C4H5ClSe(1-chlorovinyl)(vinyl)selaneN116C=C[Se]C(Cl)=CInChI=1S/C4H5ClSe/c1-3-6-4(2)5/h3H,1-2H2InChIKey=XRWFJLIBZKLURH-UHFFFAOYSA-N140.0Ex 139.96(BP est) -31.41(MP est) ----(BP exp) ----(MP exp) C=C[Se]C(Cl)=C -31.4Pred
C=C[Se]C=CCl15745167.494C4H5ClSe(2-chlorovinyl)(vinyl)selaneN116C=C[Se]C=CClInChI=1S/C4H5ClSe/c1-2-6-4-3-5/h2-4H,1H2InChIKey=GSIIONZUTMRNIK-UHFFFAOYSA-N154.5Ex 154.50(BP est) -21.85(MP est) ----(BP exp) ----(MP exp) C=C[Se]C=CCl -21.9Pred
ClCC#C[Se]C15746167.494C4H5ClSe(3-chloroprop-1-yn-1-yl)(methyl)selaneN116ClCC#C[Se]CInChI=1S/C4H5ClSe/c1-6-4-2-3-5/h3H2,1H3InChIKey=BLKVLZZJRAXXTN-UHFFFAOYSA-N189.8Ex 189.77(BP est) 21.03(MP est) ----(BP exp) ----(MP exp) ClCC#C[Se]C 21Pred
C[Se]CC#CCl15747167.494C4H5ClSe(3-chloroprop-2-yn-1-yl)(methyl)selaneN116C[Se]CC#CClInChI=1S/C4H5ClSe/c1-6-4-2-3-5/h4H2,1H3InChIKey=HMBAHHGJGIBIJI-UHFFFAOYSA-N165.1Ex 165.13(BP est) 10.24(MP est) ----(BP exp) ----(MP exp) C[Se]CC#CCl 10.2Pred
CC#C[Se]CCl15748167.494C4H5ClSe(chloromethyl)(prop-1-yn-1-yl)selaneN116CC#C[Se]CClInChI=1S/C4H5ClSe/c1-2-3-6-4-5/h4H2,1H3InChIKey=MSISGIZFIMIIQE-UHFFFAOYSA-N189.8Ex 189.77(BP est) 21.03(MP est) ----(BP exp) ----(MP exp) CC#C[Se]CCl 21Pred
ClC[Se]CC#C15749167.494C4H5ClSe(chloromethyl)(prop-2-yn-1-yl)selaneN116ClC[Se]CC#CInChI=1S/C4H5ClSe/c1-2-3-6-4-5/h1H,3-4H2InChIKey=PMQFUHYMXUWAPV-UHFFFAOYSA-N182.1Ex 182.11(BP est) 13.12(MP est) ----(BP exp) ----(MP exp) ClC[Se]CC#C 13.1Pred
ClC1([Se]2)C2CC115750167.494C4H5ClSe1-chloro-5-selenabicyclo[2.1.0]pentaneN116ClC1([Se]2)C2CC1InChI=1S/C4H5ClSe/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=HJYLCHDBOXOAAF-UHFFFAOYSA-N143.1Ex 143.10(BP est) 11.66(MP est) ----(BP exp) ----(MP exp) ClC1([Se]2)C2CC1 11.7Pred
[SeH]C(CC#C)Cl15751167.494C4H5ClSe1-chlorobut-3-yne-1-selenolN116[Se]([H])C(CC#C)ClInChI=1S/C4H5ClSe/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=VRORWKLNXVEDHA-UHFFFAOYSA-N159.7Ex 159.73(BP est) 7.27(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC#C)Cl 7.3Pred
[SeH]C(CCl)C#C15752167.494C4H5ClSe1-chlorobut-3-yne-2-selenolN116[Se]([H])C(CCl)C#CInChI=1S/C4H5ClSe/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=GEFRHPGHQHEFOA-UHFFFAOYSA-N171.4Ex 171.42(BP est) 10.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)C#C 10.7Pred
[SeH]C1(Cl)CC=C115753167.494C4H5ClSe1-chlorocyclobut-2-ene-1-selenolN116[Se]([H])C1(Cl)CC=C1InChI=1S/C4H5ClSe/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=INTHLSPOSRDHMS-UHFFFAOYSA-N150.4Ex 150.40(BP est) 8.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Cl)CC=C1 8.1Pred
ClC(C1C[Se]1)=C15754167.494C4H5ClSe2-(1-chlorovinyl)seleniraneN116ClC(C1C[Se]1)=CInChI=1S/C4H5ClSe/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=QTHKJNUMVZIPMM-UHFFFAOYSA-N143.4Ex 143.39(BP est) -18.80(MP est) ----(BP exp) ----(MP exp) ClC(C1C[Se]1)=C -18.8Pred
ClC=CC1C[Se]115755167.494C4H5ClSe2-(2-chlorovinyl)seleniraneN116ClC=CC1C[Se]1InChI=1S/C4H5ClSe/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=NVKCUKZRFAONMB-UHFFFAOYSA-N157.8Ex 157.84(BP est) -9.26(MP est) ----(BP exp) ----(MP exp) ClC=CC1C[Se]1 -9.3Pred
ClC1C2(CC2)[Se]115756167.494C4H5ClSe2-chloro-1-selenaspiro[2.2]pentaneN116ClC1C2(CC2)[Se]1InChI=1S/C4H5ClSe/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=NBCHZEHXLGZURK-UHFFFAOYSA-N155.1Ex 155.13(BP est) 15.17(MP est) ----(BP exp) ----(MP exp) ClC1C2(CC2)[Se]1 15.2Pred
ClC1(C=C)C[Se]115757167.494C4H5ClSe2-chloro-2-vinylseleniraneN116ClC1(C=C)C[Se]1InChI=1S/C4H5ClSe/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=MYFMZZQIPJUWJF-UHFFFAOYSA-N139.7Ex 139.67(BP est) -0.95(MP est) ----(BP exp) ----(MP exp) ClC1(C=C)C[Se]1 -1Pred
ClC1C(C=C)[Se]115758167.494C4H5ClSe2-chloro-3-vinylseleniraneN116ClC1C(C=C)[Se]1InChI=1S/C4H5ClSe/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=FLAYUAVKKMQOBS-UHFFFAOYSA-N157.0Ex 156.98(BP est) -9.97(MP est) ----(BP exp) ----(MP exp) ClC1C(C=C)[Se]1 -10Pred
ClC1CC2C1[Se]215759167.494C4H5ClSe2-chloro-5-selenabicyclo[2.1.0]pentaneN116ClC1CC2C1[Se]2InChI=1S/C4H5ClSe/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=XWMSZFDKJXLWOR-UHFFFAOYSA-N160.3Ex 160.30(BP est) 2.61(MP est) ----(BP exp) ----(MP exp) ClC1CC2C1[Se]2 2.6Pred
[SeH]CC(C#C)Cl15760167.494C4H5ClSe2-chlorobut-3-yne-1-selenolN116[Se]([H])CC(C#C)ClInChI=1S/C4H5ClSe/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=XIAGMXWRVZLSAW-UHFFFAOYSA-N159.7Ex 159.73(BP est) 7.27(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C#C)Cl 7.3Pred
[SeH]C(Cl)(C)C#C15761167.494C4H5ClSe2-chlorobut-3-yne-2-selenolN116[Se]([H])C(Cl)(C)C#CInChI=1S/C4H5ClSe/c1-3-4(2,5)6/h1,6H,2H3InChIKey=LWHHBMFBNBVIRL-UHFFFAOYSA-N139.0Ex 138.96(BP est) 9.92(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(C)C#C 9.9Pred
[SeH]C1CC=C1Cl15762167.494C4H5ClSe2-chlorocyclobut-2-ene-1-selenolN116[Se]([H])C1CC=C1ClInChI=1S/C4H5ClSe/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=UFNDWPXUVVVUOQ-UHFFFAOYSA-N158.1Ex 158.13(BP est) 4.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC=C1Cl 4.7Pred
[SeH]C1CC(Cl)=C115763167.494C4H5ClSe3-chlorocyclobut-2-ene-1-selenolN116[Se]([H])C1CC(Cl)=C1InChI=1S/C4H5ClSe/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=SQEHNZAEYZMUAD-UHFFFAOYSA-N158.1Ex 158.13(BP est) 4.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC(Cl)=C1 4.7Pred
ClC1C2([Se]C2)C115764167.494C4H5ClSe4-chloro-1-selenaspiro[2.2]pentaneN116ClC1C2([Se]C2)C1InChI=1S/C4H5ClSe/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=KWXFUMYXBUWFLV-UHFFFAOYSA-N155.1Ex 155.13(BP est) 15.17(MP est) ----(BP exp) ----(MP exp) ClC1C2([Se]C2)C1 15.2Pred
[SeH]CCC#CCl15765167.494C4H5ClSe4-chlorobut-3-yne-1-selenolN116[Se]([H])CCC#CClInChI=1S/C4H5ClSe/c5-3-1-2-4-6/h6H,2,4H2InChIKey=VHFOTFHNCXQJCB-UHFFFAOYSA-N167.1Ex 167.11(BP est) 15.20(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC#CCl 15.2Pred
[SeH]C(C#CCl)C15766167.494C4H5ClSe4-chlorobut-3-yne-2-selenolN116[Se]([H])C(C#CCl)CInChI=1S/C4H5ClSe/c1-4(6)2-3-5/h4,6H,1H3InChIKey=HKMAJTSHLJCLNV-UHFFFAOYSA-N154.1Ex 154.07(BP est) 5.74(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#CCl)C 5.7Pred
[SeH]C1C(Cl)C=C115767167.494C4H5ClSe4-chlorocyclobut-2-ene-1-selenolN116[Se]([H])C1C(Cl)C=C1InChI=1S/C4H5ClSe/c5-3-1-2-4(3)6/h1-4,6HInChIKey=STEGFBPGRIPTEZ-UHFFFAOYSA-N167.4Ex 167.37(BP est) -1.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Cl)C=C1 -1Pred
NC1C[Se][Se]C115770215.016C3H7NSe21,2-diselenolan-4-amineN136NC1C[Se][Se]C1InChI=1S/C3H7NSe2/c4-3-1-5-6-2-3/h3H,1-2,4H2InChIKey=SEVZLDHFTIUHTL-UHFFFAOYSA-N232.8Ex 232.77(BP est) 52.09(MP est) ----(BP exp) ----(MP exp) NC1C[Se][Se]C1 52.1Pred
C1NC[Se]C[Se]115771215.016C3H7NSe21,3,5-diselenazinaneN136C1NC[Se]C[Se]1InChI=1S/C3H7NSe2/c1-4-2-6-3-5-1/h4H,1-3H2InChIKey=ALMALYWDLZFVQQ-UHFFFAOYSA-N239.0Ex 239.01(BP est) 60.45(MP est) ----(BP exp) ----(MP exp) C1NC[Se]C[Se]1 60.5Pred
[SeH]CCP(C)C15772169.066C4H11PSe2-(dimethylphosphaneyl)ethane-1-selenolN176[Se]([H])CCP(C)CInChI=1S/C4H11PSe/c1-5(2)3-4-6/h6H,3-4H2,1-2H3InChIKey=DALNRBXVGVSTRP-UHFFFAOYSA-N156.1Ex 156.10(BP est) -17.92(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCP(C)C -17.9Pred
[Se]=P(CC)(C)C15773169.066C4H11PSeethyldimethylphosphine selenideN176[Se]=P(CC)(C)CInChI=1S/C4H11PSe/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=HOWHXMFGDZBDEX-UHFFFAOYSA-N154.1Ex 154.08(BP est) -26.69(MP est) ----(BP exp) ----(MP exp) [Se]=P(CC)(C)C -26.7Pred
OC1C[Se][Se]C115774216C3H6OSe21,2-diselenolan-4-olN126OC1C[Se][Se]C1InChI=1S/C3H6OSe2/c4-3-1-5-6-2-3/h3-4H,1-2H2InChIKey=UAIHNMIQHFCLGA-UHFFFAOYSA-N246.6Ex 246.64(BP est) 52.56(MP est) ----(BP exp) ----(MP exp) OC1C[Se][Se]C1 52.6Pred
[Se]=C([Se]C)OC15775216C3H6OSe2O,Se-dimethyl carbonodiselenoateN126[Se]=C([Se]C)OCInChI=1S/C3H6OSe2/c1-4-3(5)6-2/h1-2H3InChIKey=STHCCZTXCHNQCK-UHFFFAOYSA-N198.1Ex 198.06(BP est) 22.16(MP est) ----(BP exp) ----(MP exp) [Se]=C([Se]C)OC 22.2Pred
C[Se]C([Se]C)=O15776216C3H6OSe2Se,Se-dimethyl carbonodiselenoateN126C[Se]C([Se]C)=OInChI=1S/C3H6OSe2/c1-5-3(4)6-2/h1-2H3InChIKey=ZEFQPPOEFVZIAN-UHFFFAOYSA-N216.5Ex 216.48(BP est) 38.61(MP est) ----(BP exp) ----(MP exp) C[Se]C([Se]C)=O 38.6Pred
C[Se]C(NN)=[Se]15777216.004C2H6N2Se2methyl hydrazinecarbodiselenoateN126C[Se]C(NN)=[Se]InChI=1S/C2H6N2Se2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)InChIKey=PFOMJVGWLVCRMJ-UHFFFAOYSA-N244.9Ex 244.92(BP est) 63.24(MP est) ----(BP exp) ----(MP exp) C[Se]C(NN)=[Se] 63.2Pred
C1=C[Se][Se][Se]115778262.918C2H2Se31,2,3-triselenoleN75C1=C[Se][Se][Se]1InChI=1S/C2H2Se3/c1-2-4-5-3-1/h1-2HInChIKey=ABRYNNNIQUKESQ-UHFFFAOYSA-N241.5Ex 241.46(BP est) 58.14(MP est) ----(BP exp) ----(MP exp) C1=C[Se][Se][Se]1 58.1Pred
C[Se]CC[Se]C15779216.044C4H10Se21,2-bis(methylselanyl)ethaneN166C[Se]CC[Se]CInChI=1S/C4H10Se2/c1-5-3-4-6-2/h3-4H2,1-2H3InChIKey=BHRWGADCHKZKRD-UHFFFAOYSA-N197.8Ex 197.82(BP est) 26.76(MP est) ----(BP exp) ----(MP exp) C[Se]CC[Se]C 26.8Pred
CC[Se][Se]CC15780216.044C4H10Se21,2-diethyldiselaneN166CC[Se][Se]CCInChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3InChIKey=OMAWWKIPXLIPDE-UHFFFAOYSA-N197.8Ex 197.82(BP est) 26.76(MP est) ----(BP exp) ----(MP exp) CC[Se][Se]CC 26.8Pred
C[Se][Se]C(C)C15781216.044C4H10Se21-isopropyl-2-methyldiselaneN166C[Se][Se]C(C)CInChI=1S/C4H10Se2/c1-4(2)6-5-3/h4H,1-3H3InChIKey=JFTDGSSRQBRRAF-UHFFFAOYSA-N185.6Ex 185.59(BP est) 15.69(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(C)C 15.7Pred
C[Se][Se]CCC15782216.044C4H10Se21-methyl-2-propyldiselaneN166C[Se][Se]CCCInChI=1S/C4H10Se2/c1-3-4-6-5-2/h3-4H2,1-2H3InChIKey=RFLAXNWFNDIJKJ-UHFFFAOYSA-N197.8Ex 197.82(BP est) 26.76(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CCC 26.8Pred
[SeH]CC[Se]CC15783216.044C4H10Se22-(ethylselanyl)ethane-1-selenolN166[Se]([H])CC[Se]CCInChI=1S/C4H10Se2/c1-2-6-4-3-5/h5H,2-4H2,1H3InChIKey=FZIWEGPGZBDJMS-UHFFFAOYSA-N199.7Ex 199.66(BP est) 24.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC[Se]CC 24.6Pred
CC(C[SeH])([SeH])C15784216.044C4H10Se22-methylpropane-1,2-diselenolN166CC(C[Se]([H]))([Se]([H]))CInChI=1S/C4H10Se2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3InChIKey=KPPKNWAKWTWWGK-UHFFFAOYSA-N181.2Ex 181.22(BP est) 15.83(MP est) ----(BP exp) ----(MP exp) CC(C[Se]([H]))([Se]([H]))C 15.8Pred
[SeH]CCC[Se]C15785216.044C4H10Se23-(methylselanyl)propane-1-selenolN166[Se]([H])CCC[Se]CInChI=1S/C4H10Se2/c1-6-4-2-3-5/h5H,2-4H2,1H3InChIKey=QFIDBBLUDZYHRF-UHFFFAOYSA-N199.7Ex 199.66(BP est) 24.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC[Se]C 24.6Pred
[SeH]C(CC)C[SeH]15786216.044C4H10Se2butane-1,2-diselenolN166[Se]([H])C(CC)C[Se]([H])InChI=1S/C4H10Se2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3InChIKey=GQASRRSAPQWHIQ-UHFFFAOYSA-N189.4Ex 189.38(BP est) 21.08(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)C[Se]([H]) 21.1Pred
[SeH]CCCC[SeH]15787216.044C4H10Se2butane-1,4-diselenolN166[Se]([H])CCCC[Se]([H])InChI=1S/C4H10Se2/c5-3-1-2-4-6/h5-6H,1-4H2InChIKey=DORZNZMQQWHOGG-UHFFFAOYSA-N201.5Ex 201.50(BP est) 24.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCC[Se]([H]) 24.1Pred
[SeH]C(C)C(C)[SeH]15788216.044C4H10Se2butane-2,3-diselenolN166[Se]([H])C(C)C(C)[Se]([H])InChI=1S/C4H10Se2/c1-3(5)4(2)6/h3-6H,1-2H3InChIKey=MFEWEXOHMBPTRH-UHFFFAOYSA-N176.9Ex 176.92(BP est) 22.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(C)[Se]([H]) 22Pred
C[Se]C([Se]C)C15789216.044C4H10Se2ethane-1,1-diylbis(methylselane)N166C[Se]C([Se]C)CInChI=1S/C4H10Se2/c1-4(5-2)6-3/h4H,1-3H3InChIKey=HVAFTYZTWMMXDY-UHFFFAOYSA-N185.6Ex 185.59(BP est) 15.69(MP est) ----(BP exp) ----(MP exp) C[Se]C([Se]C)C 15.7Pred
C[Se]C[Se]CC15790216.044C4H10Se2ethyl((methylselanyl)methyl)selaneN166C[Se]C[Se]CCInChI=1S/C4H10Se2/c1-3-6-4-5-2/h3-4H2,1-2H3InChIKey=OLXFYQTZIAHXDE-UHFFFAOYSA-N197.8Ex 197.82(BP est) 26.76(MP est) ----(BP exp) ----(MP exp) C[Se]C[Se]CC 26.8Pred
C[Se]C(C=C)Cl15791169.51C4H7ClSe(1-chloroallyl)(methyl)selaneN136C[Se]C(C=C)ClInChI=1S/C4H7ClSe/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=XUNITWACJKMMID-UHFFFAOYSA-N148.4Ex 148.38(BP est) -28.59(MP est) ----(BP exp) ----(MP exp) C[Se]C(C=C)Cl -28.6Pred
C[Se]C1(Cl)CC115792169.51C4H7ClSe(1-chlorocyclopropyl)(methyl)selaneN136C[Se]C1(Cl)CC1InChI=1S/C4H7ClSe/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=MBUDJUHXLVIWLU-UHFFFAOYSA-N143.4Ex 143.40(BP est) -0.75(MP est) ----(BP exp) ----(MP exp) C[Se]C1(Cl)CC1 -0.8Pred
[SeH]CC1(Cl)CC115793169.51C4H7ClSe(1-chlorocyclopropyl)methaneselenolN136[Se]([H])CC1(Cl)CC1InChI=1S/C4H7ClSe/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=GHPNXYPYSWGWNS-UHFFFAOYSA-N145.5Ex 145.46(BP est) 8.04(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1(Cl)CC1 8Pred
ClC([Se]C=C)C15794169.51C4H7ClSe(1-chloroethyl)(vinyl)selaneN136ClC([Se]C=C)CInChI=1S/C4H7ClSe/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=OBDPIPDZONNLOL-UHFFFAOYSA-N148.4Ex 148.38(BP est) -28.59(MP est) ----(BP exp) ----(MP exp) ClC([Se]C=C)C -28.6Pred
C[Se]C(Cl)=CC15795169.51C4H7ClSe(1-chloroprop-1-en-1-yl)(methyl)selaneN136C[Se]C(Cl)=CCInChI=1S/C4H7ClSe/c1-3-4(5)6-2/h3H,1-2H3InChIKey=LHZHEQJFLQNSAC-UHFFFAOYSA-N150.1Ex 150.14(BP est) -29.22(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)=CC -29.2Pred
C[Se]C(C)=CCl15796169.51C4H7ClSe(1-chloroprop-1-en-2-yl)(methyl)selaneN136C[Se]C(C)=CClInChI=1S/C4H7ClSe/c1-4(3-5)6-2/h3H,1-2H3InChIKey=IRUWWCLTZSFRAC-UHFFFAOYSA-N150.1Ex 150.14(BP est) -29.22(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)=CCl -29.2Pred
CC[Se]C(Cl)=C15797169.51C4H7ClSe(1-chlorovinyl)(ethyl)selaneN136CC[Se]C(Cl)=CInChI=1S/C4H7ClSe/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=HDECGUJITVBSQB-UHFFFAOYSA-N141.6Ex 141.64(BP est) -30.04(MP est) ----(BP exp) ----(MP exp) CC[Se]C(Cl)=C -30Pred
C[Se]CC(Cl)=C15798169.51C4H7ClSe(2-chloroallyl)(methyl)selaneN136C[Se]CC(Cl)=CInChI=1S/C4H7ClSe/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=NWVZWGAPGWLHRK-UHFFFAOYSA-N141.6Ex 141.64(BP est) -30.04(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Cl)=C -30Pred
C[Se]C1CC1Cl15799169.51C4H7ClSe(2-chlorocyclopropyl)(methyl)selaneN136C[Se]C1CC1ClInChI=1S/C4H7ClSe/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=OYEDOAFBMJSMMD-UHFFFAOYSA-N160.6Ex 160.59(BP est) -9.80(MP est) ----(BP exp) ----(MP exp) C[Se]C1CC1Cl -9.8Pred
[SeH]CC1CC1Cl15800169.51C4H7ClSe(2-chlorocyclopropyl)methaneselenolN136[Se]([H])CC1CC1ClInChI=1S/C4H7ClSe/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=TUWKMTVJMGVSOA-UHFFFAOYSA-N162.6Ex 162.58(BP est) -1.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1CC1Cl -1Pred
ClCC[Se]C=C15801169.51C4H7ClSe(2-chloroethyl)(vinyl)selaneN136ClCC[Se]C=CInChI=1S/C4H7ClSe/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=ZDTYTBFBKNINOR-UHFFFAOYSA-N173.2Ex 173.21(BP est) -13.84(MP est) ----(BP exp) ----(MP exp) ClCC[Se]C=C -13.8Pred
C[Se]C=C(C)Cl15802169.51C4H7ClSe(2-chloroprop-1-en-1-yl)(methyl)selaneN136C[Se]C=C(C)ClInChI=1S/C4H7ClSe/c1-4(5)3-6-2/h3H,1-2H3InChIKey=UBWIRNILIJRYHT-UHFFFAOYSA-N150.1Ex 150.14(BP est) -29.22(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(C)Cl -29.2Pred
CC[Se]C=CCl15803169.51C4H7ClSe(2-chlorovinyl)(ethyl)selaneN136CC[Se]C=CClInChI=1S/C4H7ClSe/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=NEUWRNAXQKEFOU-UHFFFAOYSA-N156.1Ex 156.13(BP est) -20.49(MP est) ----(BP exp) ----(MP exp) CC[Se]C=CCl -20.5Pred
C[Se]CC=CCl15804169.51C4H7ClSe(3-chloroallyl)(methyl)selaneN136C[Se]CC=CClInChI=1S/C4H7ClSe/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=PPRSYFUSFIHOMB-UHFFFAOYSA-N156.1Ex 156.13(BP est) -20.49(MP est) ----(BP exp) ----(MP exp) C[Se]CC=CCl -20.5Pred
C[Se]C=CCCl15805169.51C4H7ClSe(3-chloroprop-1-en-1-yl)(methyl)selaneN136C[Se]C=CCClInChI=1S/C4H7ClSe/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=DYTQAWYPHAWEAO-UHFFFAOYSA-N181.2Ex 181.21(BP est) -13.17(MP est) ----(BP exp) ----(MP exp) C[Se]C=CCCl -13.2Pred
C[Se]C(CCl)=C15806169.51C4H7ClSe(3-chloroprop-1-en-2-yl)(methyl)selaneN136C[Se]C(CCl)=CInChI=1S/C4H7ClSe/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=UKWAQKSRDHTDLP-UHFFFAOYSA-N167.4Ex 167.42(BP est) -22.51(MP est) ----(BP exp) ----(MP exp) C[Se]C(CCl)=C -22.5Pred
ClC[Se]C1CC115807169.51C4H7ClSe(chloromethyl)(cyclopropyl)selaneN136ClC[Se]C1CC1InChI=1S/C4H7ClSe/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=VBIRXSVRSAJBLH-UHFFFAOYSA-N178.4Ex 178.35(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) ClC[Se]C1CC1 -2.5Pred
ClC[Se]C=CC15808169.51C4H7ClSe(chloromethyl)(prop-1-en-1-yl)selaneN136ClC[Se]C=CCInChI=1S/C4H7ClSe/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=UWJPAUBIIXELTR-UHFFFAOYSA-N181.2Ex 181.21(BP est) -13.17(MP est) ----(BP exp) ----(MP exp) ClC[Se]C=CC -13.2Pred
ClC[Se]C(C)=C15809169.51C4H7ClSe(chloromethyl)(prop-1-en-2-yl)selaneN136ClC[Se]C(C)=CInChI=1S/C4H7ClSe/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=PSWHCOWZGIMCTJ-UHFFFAOYSA-N167.4Ex 167.42(BP est) -22.51(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(C)=C -22.5Pred
[SeH]C1(CCl)CC115810169.51C4H7ClSe1-(chloromethyl)cyclopropane-1-selenolN136[Se]([H])C1(CCl)CC1InChI=1S/C4H7ClSe/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=QTPUQQZDDHIOEE-UHFFFAOYSA-N169.2Ex 169.18(BP est) 14.97(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(CCl)CC1 15Pred
[SeH]C(CC=C)Cl15811169.51C4H7ClSe1-chlorobut-3-ene-1-selenolN136[Se]([H])C(CC=C)ClInChI=1S/C4H7ClSe/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=VZEFGTWNRQAUBX-UHFFFAOYSA-N150.4Ex 150.43(BP est) -19.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC=C)Cl -19.8Pred
[SeH]C(C=C)CCl15812169.51C4H7ClSe1-chlorobut-3-ene-2-selenolN136[Se]([H])C(C=C)CClInChI=1S/C4H7ClSe/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=LDLVIQTZQWLKBY-UHFFFAOYSA-N162.3Ex 162.33(BP est) -16.33(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)CCl -16.3Pred
[SeH]C1(Cl)CCC115813169.51C4H7ClSe1-chlorocyclobutane-1-selenolN136[Se]([H])C1(Cl)CCC1InChI=1S/C4H7ClSe/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=RZBIRRDMNVRKQN-UHFFFAOYSA-N147.5Ex 147.50(BP est) 6.88(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Cl)CCC1 6.9Pred
ClC(C)C1C[Se]115814169.51C4H7ClSe2-(1-chloroethyl)seleniraneN136ClC(C)C1C[Se]1InChI=1S/C4H7ClSe/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=OGHYINFYZNQIAK-UHFFFAOYSA-N151.8Ex 151.76(BP est) -15.99(MP est) ----(BP exp) ----(MP exp) ClC(C)C1C[Se]1 -16Pred
ClCCC1C[Se]115815169.51C4H7ClSe2-(2-chloroethyl)seleniraneN136ClCCC1C[Se]1InChI=1S/C4H7ClSe/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=WIQFTFXULDLWDN-UHFFFAOYSA-N176.4Ex 176.43(BP est) -1.29(MP est) ----(BP exp) ----(MP exp) ClCCC1C[Se]1 -1.3Pred
CC1(CCl)C[Se]115816169.51C4H7ClSe2-(chloromethyl)-2-methylseleniraneN136CC1(CCl)C[Se]1InChI=1S/C4H7ClSe/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=IQHBOMVWTGVDHW-UHFFFAOYSA-N165.3Ex 165.25(BP est) 7.39(MP est) ----(BP exp) ----(MP exp) CC1(CCl)C[Se]1 7.4Pred
CC1C(CCl)[Se]115817169.51C4H7ClSe2-(chloromethyl)-3-methylseleniraneN136CC1C(CCl)[Se]1InChI=1S/C4H7ClSe/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=GDXMDMJFRPSHQA-UHFFFAOYSA-N170.3Ex 170.32(BP est) -5.20(MP est) ----(BP exp) ----(MP exp) CC1C(CCl)[Se]1 -5.2Pred
ClCC1[Se]CC115818169.51C4H7ClSe2-(chloromethyl)selenetaneN136ClCC1[Se]CC1InChI=1S/C4H7ClSe/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=VRYHIZOQDSQDBY-UHFFFAOYSA-N178.4Ex 178.35(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) ClCC1[Se]CC1 -2.5Pred
[SeH]C1(C)CC1Cl15819169.51C4H7ClSe2-chloro-1-methylcyclopropane-1-selenolN136[Se]([H])C1(C)CC1ClInChI=1S/C4H7ClSe/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=FBIBRNBXBSTKSM-UHFFFAOYSA-N151.1Ex 151.09(BP est) 7.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C)CC1Cl 7.6Pred
CC1C(C)(Cl)[Se]115820169.51C4H7ClSe2-chloro-2,3-dimethylseleniraneN136CC1C(C)(Cl)[Se]1InChI=1S/C4H7ClSe/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=KSZTTWVJNGIWBR-UHFFFAOYSA-N134.8Ex 134.81(BP est) -3.61(MP est) ----(BP exp) ----(MP exp) CC1C(C)(Cl)[Se]1 -3.6Pred
ClC1(CC)C[Se]115821169.51C4H7ClSe2-chloro-2-ethylseleniraneN136ClC1(CC)C[Se]1InChI=1S/C4H7ClSe/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=CQUXCXFEBGNXOW-UHFFFAOYSA-N141.4Ex 141.35(BP est) 0.42(MP est) ----(BP exp) ----(MP exp) ClC1(CC)C[Se]1 0.4Pred
ClC1(C)[Se]CC115822169.51C4H7ClSe2-chloro-2-methylselenetaneN136ClC1(C)[Se]CC1InChI=1S/C4H7ClSe/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=XZNSHVFOJBRYCV-UHFFFAOYSA-N143.4Ex 143.40(BP est) -0.75(MP est) ----(BP exp) ----(MP exp) ClC1(C)[Se]CC1 -0.8Pred
ClC1C(CC)[Se]115823169.51C4H7ClSe2-chloro-3-ethylseleniraneN136ClC1C(CC)[Se]1InChI=1S/C4H7ClSe/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=BIVDGZIDGRKRGL-UHFFFAOYSA-N158.6Ex 158.60(BP est) -8.62(MP est) ----(BP exp) ----(MP exp) ClC1C(CC)[Se]1 -8.6Pred
ClC1[Se]CC1C15824169.51C4H7ClSe2-chloro-3-methylselenetaneN136ClC1[Se]CC1CInChI=1S/C4H7ClSe/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=GMMXWIPSGODEHR-UHFFFAOYSA-N160.6Ex 160.59(BP est) -9.80(MP est) ----(BP exp) ----(MP exp) ClC1[Se]CC1C -9.8Pred
ClC1CC(C)[Se]115825169.51C4H7ClSe2-chloro-4-methylselenetaneN136ClC1CC(C)[Se]1InChI=1S/C4H7ClSe/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=ULTPKYXYBNMNPF-UHFFFAOYSA-N160.6Ex 160.59(BP est) -9.80(MP est) ----(BP exp) ----(MP exp) ClC1CC(C)[Se]1 -9.8Pred
[SeH]CC(C=C)Cl15826169.51C4H7ClSe2-chlorobut-3-ene-1-selenolN136[Se]([H])CC(C=C)ClInChI=1S/C4H7ClSe/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=JGSRVULDGJQPIZ-UHFFFAOYSA-N150.4Ex 150.43(BP est) -19.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C=C)Cl -19.8Pred
[SeH]C(Cl)(C)C=C15827169.51C4H7ClSe2-chlorobut-3-ene-2-selenolN136[Se]([H])C(Cl)(C)C=CInChI=1S/C4H7ClSe/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=NSIJJSYHKDKYBU-UHFFFAOYSA-N129.3Ex 129.29(BP est) -17.27(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(C)C=C -17.3Pred
[SeH]C1CCC1Cl15828169.51C4H7ClSe2-chlorocyclobutane-1-selenolN136[Se]([H])C1CCC1ClInChI=1S/C4H7ClSe/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=VJGBXVXWEYFQLG-UHFFFAOYSA-N164.6Ex 164.56(BP est) -2.21(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CCC1Cl -2.2Pred
ClC1[Se]CCC115829169.51C4H7ClSe2-chlorotetrahydroselenopheneN136ClC1[Se]CCC1InChI=1S/C4H7ClSe/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=BSGPILYXXVJNDW-UHFFFAOYSA-N168.8Ex 168.77(BP est) -7.05(MP est) ----(BP exp) ----(MP exp) ClC1[Se]CCC1 -7.1Pred
ClCC1C[Se]C115830169.51C4H7ClSe3-(chloromethyl)selenetaneN136ClCC1C[Se]C1InChI=1S/C4H7ClSe/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=SKXVWCQEDQRVGY-UHFFFAOYSA-N178.4Ex 178.35(BP est) -2.49(MP est) ----(BP exp) ----(MP exp) ClCC1C[Se]C1 -2.5Pred
ClC1C(C)(C)[Se]115831169.51C4H7ClSe3-chloro-2,2-dimethylseleniraneN136ClC1C(C)(C)[Se]1InChI=1S/C4H7ClSe/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=SMXZGZHAQPLURB-UHFFFAOYSA-N147.0Ex 147.02(BP est) -0.05(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(C)[Se]1 -0.1Pred
CC1[Se]CC1Cl15832169.51C4H7ClSe3-chloro-2-methylselenetaneN136CC1[Se]CC1ClInChI=1S/C4H7ClSe/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=AABKKROPISNBBG-UHFFFAOYSA-N160.6Ex 160.59(BP est) -9.80(MP est) ----(BP exp) ----(MP exp) CC1[Se]CC1Cl -9.8Pred
ClC1(C)C[Se]C115833169.51C4H7ClSe3-chloro-3-methylselenetaneN136ClC1(C)C[Se]C1InChI=1S/C4H7ClSe/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=WQOSURKONQFWGP-UHFFFAOYSA-N143.4Ex 143.40(BP est) -0.75(MP est) ----(BP exp) ----(MP exp) ClC1(C)C[Se]C1 -0.8Pred
[SeH]CCC(Cl)=C15834169.51C4H7ClSe3-chlorobut-3-ene-1-selenolN136[Se]([H])CCC(Cl)=CInChI=1S/C4H7ClSe/c1-4(5)2-3-6/h6H,1-3H2InChIKey=RCLNOZCWCQLASC-UHFFFAOYSA-N143.7Ex 143.70(BP est) -21.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Cl)=C -21.3Pred
[SeH]C(C(Cl)=C)C15835169.51C4H7ClSe3-chlorobut-3-ene-2-selenolN136[Se]([H])C(C(Cl)=C)CInChI=1S/C4H7ClSe/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=RHDAYKVCUMZACA-UHFFFAOYSA-N130.1Ex 130.08(BP est) -32.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(Cl)=C)C -32.7Pred
[SeH]C1CC(Cl)C115836169.51C4H7ClSe3-chlorocyclobutane-1-selenolN136[Se]([H])C1CC(Cl)C1InChI=1S/C4H7ClSe/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=OLFZTVAZOJKCIL-UHFFFAOYSA-N164.6Ex 164.56(BP est) -2.21(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC(Cl)C1 -2.2Pred
ClC1CC[Se]C115837169.51C4H7ClSe3-chlorotetrahydroselenopheneN136ClC1CC[Se]C1InChI=1S/C4H7ClSe/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=VYEHGDBZQPBLKI-UHFFFAOYSA-N168.8Ex 168.77(BP est) -7.05(MP est) ----(BP exp) ----(MP exp) ClC1CC[Se]C1 -7.1Pred
[SeH]CCC=CCl15838169.51C4H7ClSe4-chlorobut-3-ene-1-selenolN136[Se]([H])CCC=CClInChI=1S/C4H7ClSe/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=PIWHMRBJODJJEA-UHFFFAOYSA-N158.1Ex 158.14(BP est) -11.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC=CCl -11.7Pred
[SeH]C(C=CCl)C15839169.51C4H7ClSe4-chlorobut-3-ene-2-selenolN136[Se]([H])C(C=CCl)CInChI=1S/C4H7ClSe/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=MKFKKYOCKXWSKR-UHFFFAOYSA-N144.9Ex 144.88(BP est) -23.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=CCl)C -23.1Pred
ClC[Se]CC=C15840169.51C4H7ClSeallyl(chloromethyl)selaneN136ClC[Se]CC=CInChI=1S/C4H7ClSe/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=MHJJLPRIOURCIM-UHFFFAOYSA-N173.2Ex 173.21(BP est) -13.84(MP est) ----(BP exp) ----(MP exp) ClC[Se]CC=C -13.8Pred
[SeH]C(C1CC1)Cl15841169.51C4H7ClSechloro(cyclopropyl)methaneselenolN136[Se]([H])C(C1CC1)ClInChI=1S/C4H7ClSe/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=XXEOVQKTYSHWFY-UHFFFAOYSA-N155.8Ex 155.80(BP est) -8.39(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C1CC1)Cl -8.4Pred
[Se]=P(C)(NC)C15846170.054C3H10NPSeN,P,P-trimethylphosphinoselenoic amideN166[Se]=P(C)(NC)CInChI=1S/C3H10NPSe/c1-4-5(2,3)6/h1-3H3,(H,4,6)InChIKey=JRDXSGRUPSLLFX-UHFFFAOYSA-N172.8Ex 172.78(BP est) -0.54(MP est) ----(BP exp) ----(MP exp) [Se]=P(C)(NC)C -0.5Pred
CP(C)(OC)=[Se]15848171.038C3H9OPSeO-methyl dimethylphosphinoselenoateN156CP(C)(OC)=[Se]InChI=1S/C3H9OPSe/c1-4-5(2,3)6/h1-3H3InChIKey=WMWUYEBPROACHN-UHFFFAOYSA-N154.9Ex 154.93(BP est) -20.96(MP est) ----(BP exp) ----(MP exp) CP(C)(OC)=[Se] -21Pred
CP(C)([Se]C)=O15849171.038C3H9OPSeSe-methyl dimethylphosphinoselenoateN156CP(C)([Se]C)=OInChI=1S/C3H9OPSe/c1-5(2,4)6-3/h1-3H3InChIKey=LFTKEOVIFDCVOT-UHFFFAOYSA-N188.4Ex 188.39(BP est) -12.31(MP est) ----(BP exp) ----(MP exp) CP(C)([Se]C)=O -12.3Pred
O=[Se]1OCC[Se]115850217.972C2H4O2Se21,2,3-oxadiselenolane 2-oxideN106O=[Se]1OCC[Se]1InChI=1S/C2H4O2Se2/c3-6-4-1-2-5-6/h1-2H2InChIKey=GOVNPBZANQDPGS-UHFFFAOYSA-N183.5Ex 183.51(BP est) 15.11(MP est) ----(BP exp) ----(MP exp) O=[Se]1OCC[Se]1 15.1Pred
OCC([SeH])C[SeH]15851218.016C3H8OSe22,3-dihydroselenopropan-1-olN146OCC([Se]([H]))C[Se]([H])InChI=1S/C3H8OSe2/c4-1-3(6)2-5/h3-6H,1-2H2InChIKey=JTFMHQCMTJZOFQ-UHFFFAOYSA-N241.9Ex 241.93(BP est) 50.44(MP est) ----(BP exp) ----(MP exp) OCC([Se]([H]))C[Se]([H]) 50.4Pred
O=[Se](C)C[Se]C15852218.016C3H8OSe2methyl((methylseleninyl)methyl)selaneN146O=[Se](C)C[Se]CInChI=1S/C3H8OSe2/c1-5-3-6(2)4/h3H2,1-2H3InChIKey=CDKPDOMOAUCFJK-UHFFFAOYSA-N168.2Ex 168.20(BP est) 13.52(MP est) ----(BP exp) ----(MP exp) O=[Se](C)C[Se]C 13.5Pred
[Se]1[Se][Se]CC115853264.934C2H4Se31,2,3-triselenolaneN95[Se]1[Se][Se]CC1InChI=1S/C2H4Se3/c1-2-4-5-3-1/h1-2H2InChIKey=SQGCLANPLSASAS-UHFFFAOYSA-N239.1Ex 239.10(BP est) 56.92(MP est) ----(BP exp) ----(MP exp) [Se]1[Se][Se]CC1 56.9Pred
[Se]1C[Se][Se]C115854264.934C2H4Se31,2,4-triselenolaneN95[Se]1C[Se][Se]C1InChI=1S/C2H4Se3/c1-3-2-5-4-1/h1-2H2InChIKey=BSSVFSWYRLKWCX-UHFFFAOYSA-N239.1Ex 239.10(BP est) 56.92(MP est) ----(BP exp) ----(MP exp) [Se]1C[Se][Se]C1 56.9Pred
[SeH]C(C#C)(Cl)F15855171.457C3H2ClFSe1-chloro-1-fluoroprop-2-yne-1-selenolN86[Se]([H])C(C#C)(Cl)FInChI=1S/C3H2ClFSe/c1-2-3(4,5)6/h1,6HInChIKey=OABZDOVYYOHSLC-UHFFFAOYSA-N118.3Ex 118.28(BP est) -1.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(Cl)F -1.5Pred
[SeH]C(Cl)C#CF15856171.457C3H2ClFSe1-chloro-3-fluoroprop-2-yne-1-selenolN86[Se]([H])C(Cl)C#CFInChI=1S/C3H2ClFSe/c4-3(6)1-2-5/h3,6HInChIKey=IFUDIRHJKQDLLM-UHFFFAOYSA-N148.2Ex 148.15(BP est) 28.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C#CF 28.1Pred
[SeH]C(F)C#CCl15857171.457C3H2ClFSe3-chloro-1-fluoroprop-2-yne-1-selenolN86[Se]([H])C(F)C#CClInChI=1S/C3H2ClFSe/c4-2-1-3(5)6/h3,6HInChIKey=NAHQUBACILHAEU-UHFFFAOYSA-N134.0Ex 133.95(BP est) 23.97(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C#CCl 24Pred
CC[Se]C(C)Cl15858171.526C4H9ClSe(1-chloroethyl)(ethyl)selaneN156CC[Se]C(C)ClInChI=1S/C4H9ClSe/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=KDEHCZRVEDGGSO-UHFFFAOYSA-N150.0Ex 150.04(BP est) -27.23(MP est) ----(BP exp) ----(MP exp) CC[Se]C(C)Cl -27.2Pred
C[Se]C(CCl)C15859171.526C4H9ClSe(1-chloropropan-2-yl)(methyl)selaneN156C[Se]C(CCl)CInChI=1S/C4H9ClSe/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=MTHVZPCRMJBTDP-UHFFFAOYSA-N161.9Ex 161.94(BP est) -23.75(MP est) ----(BP exp) ----(MP exp) C[Se]C(CCl)C -23.8Pred
C[Se]C(CC)Cl15860171.526C4H9ClSe(1-chloropropyl)(methyl)selaneN156C[Se]C(CC)ClInChI=1S/C4H9ClSe/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=NEIJSWWHDLKCPD-UHFFFAOYSA-N150.0Ex 150.04(BP est) -27.23(MP est) ----(BP exp) ----(MP exp) C[Se]C(CC)Cl -27.2Pred
CC[Se]CCCl15861171.526C4H9ClSe(2-chloroethyl)(ethyl)selaneN156CC[Se]CCClInChI=1S/C4H9ClSe/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=RSYKJGFHTJUYRL-UHFFFAOYSA-N174.8Ex 174.78(BP est) -12.50(MP est) ----(BP exp) ----(MP exp) CC[Se]CCCl -12.5Pred
C[Se]C(Cl)(C)C15862171.526C4H9ClSe(2-chloropropan-2-yl)(methyl)selaneN156C[Se]C(Cl)(C)CInChI=1S/C4H9ClSe/c1-4(2,5)6-3/h1-3H3InChIKey=SSBVUKAKXVINAH-UHFFFAOYSA-N128.9Ex 128.88(BP est) -24.69(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)(C)C -24.7Pred
C[Se]CC(C)Cl15863171.526C4H9ClSe(2-chloropropyl)(methyl)selaneN156C[Se]CC(C)ClInChI=1S/C4H9ClSe/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=UWCCGFWVHVQRDX-UHFFFAOYSA-N150.0Ex 150.04(BP est) -27.23(MP est) ----(BP exp) ----(MP exp) C[Se]CC(C)Cl -27.2Pred
C[Se]CCCCl15864171.526C4H9ClSe(3-chloropropyl)(methyl)selaneN156C[Se]CCCClInChI=1S/C4H9ClSe/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=SUKVSEJSUNQLCT-UHFFFAOYSA-N174.8Ex 174.78(BP est) -12.50(MP est) ----(BP exp) ----(MP exp) C[Se]CCCCl -12.5Pred
ClC[Se]C(C)C15865171.526C4H9ClSe(chloromethyl)(isopropyl)selaneN156ClC[Se]C(C)CInChI=1S/C4H9ClSe/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=YOVPWIZQJTWOPZ-UHFFFAOYSA-N161.9Ex 161.94(BP est) -23.75(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(C)C -23.8Pred
ClC[Se]CCC15866171.526C4H9ClSe(chloromethyl)(propyl)selaneN156ClC[Se]CCCInChI=1S/C4H9ClSe/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=GDRHZDZUCURJLX-UHFFFAOYSA-N174.8Ex 174.78(BP est) -12.50(MP est) ----(BP exp) ----(MP exp) ClC[Se]CCC -12.5Pred
[SeH]C(C(C)C)Cl15867171.526C4H9ClSe1-chloro-2-methylpropane-1-selenolN156[Se]([H])C(C(C)C)ClInChI=1S/C4H9ClSe/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=YTRBYOHBVBAIDM-UHFFFAOYSA-N138.7Ex 138.66(BP est) -29.86(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(C)C)Cl -29.9Pred
[SeH]C(C)(C)CCl15868171.526C4H9ClSe1-chloro-2-methylpropane-2-selenolN156[Se]([H])C(C)(C)CClInChI=1S/C4H9ClSe/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=ATRWEGYTHJDSTP-UHFFFAOYSA-N155.4Ex 155.35(BP est) -8.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(C)CCl -8.8Pred
[SeH]C(CCC)Cl15869171.526C4H9ClSe1-chlorobutane-1-selenolN156[Se]([H])C(CCC)ClInChI=1S/C4H9ClSe/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=CRSJSMBQZMJAAU-UHFFFAOYSA-N152.1Ex 152.07(BP est) -18.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCC)Cl -18.5Pred
[SeH]C(CC)CCl15870171.526C4H9ClSe1-chlorobutane-2-selenolN156[Se]([H])C(CC)CClInChI=1S/C4H9ClSe/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=HSGSCJBIUCBVIR-UHFFFAOYSA-N163.9Ex 163.93(BP est) -14.99(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)CCl -15Pred
[SeH]CC(Cl)(C)C15871171.526C4H9ClSe2-chloro-2-methylpropane-1-selenolN156[Se]([H])CC(Cl)(C)CInChI=1S/C4H9ClSe/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=MZPVPKQNNDQWFA-UHFFFAOYSA-N131.0Ex 131.00(BP est) -15.89(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)(C)C -15.9Pred
[SeH]CC(CC)Cl15872171.526C4H9ClSe2-chlorobutane-1-selenolN156[Se]([H])CC(CC)ClInChI=1S/C4H9ClSe/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=WFRGPRWDFTXODW-UHFFFAOYSA-N152.1Ex 152.07(BP est) -18.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(CC)Cl -18.5Pred
[SeH]C(Cl)(C)CC15873171.526C4H9ClSe2-chlorobutane-2-selenolN156[Se]([H])C(Cl)(C)CCInChI=1S/C4H9ClSe/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=OLTDGMVXUSZHBG-UHFFFAOYSA-N131.0Ex 131.00(BP est) -15.89(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(C)CC -15.9Pred
[SeH]CC(CCl)C15874171.526C4H9ClSe3-chloro-2-methylpropane-1-selenolN156[Se]([H])CC(CCl)CInChI=1S/C4H9ClSe/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=SNRIILBUZXJLER-UHFFFAOYSA-N163.9Ex 163.93(BP est) -14.99(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(CCl)C -15Pred
[SeH]CCC(C)Cl15875171.526C4H9ClSe3-chlorobutane-1-selenolN156[Se]([H])CCC(C)ClInChI=1S/C4H9ClSe/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=UIEDWJIPTQPVST-UHFFFAOYSA-N152.1Ex 152.07(BP est) -18.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(C)Cl -18.5Pred
[SeH]C(C(C)Cl)C15876171.526C4H9ClSe3-chlorobutane-2-selenolN156[Se]([H])C(C(C)Cl)CInChI=1S/C4H9ClSe/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=GBFNBPWDNWOSNN-UHFFFAOYSA-N138.7Ex 138.66(BP est) -29.86(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(C)Cl)C -29.9Pred
[SeH]CCCCCl15877171.526C4H9ClSe4-chlorobutane-1-selenolN156[Se]([H])CCCCClInChI=1S/C4H9ClSe/c5-3-1-2-4-6/h6H,1-4H2InChIKey=IJEVYDGJWNMPQT-UHFFFAOYSA-N176.7Ex 176.72(BP est) -3.75(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCCl -3.8Pred
[SeH]C(CCCl)C15878171.526C4H9ClSe4-chlorobutane-2-selenolN156[Se]([H])C(CCCl)CInChI=1S/C4H9ClSe/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=UHEZPCQLTGNCFV-UHFFFAOYSA-N163.9Ex 163.93(BP est) -14.99(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCCl)C -15Pred
O=P(C)([Se]C)N15880172.026C2H8NOPSeSe-methyl P-methylphosphonamidoselenoateN146O=P(C)([Se]C)NInChI=1S/C2H8NOPSe/c1-5(3,4)6-2/h1-2H3,(H2,3,4)InChIKey=TWBGMLAWLURUCX-UHFFFAOYSA-N220.9Ex 220.90(BP est) 33.18(MP est) ----(BP exp) ----(MP exp) O=P(C)([Se]C)N 33.2Pred
[Se]=P(CC)(O)O15881173.01C2H7O2PSeethylphosphonoselenoic O,O-acidN136[Se]=P(CC)(O)OInChI=1S/C2H7O2PSe/c1-2-5(3,4)6/h2H2,1H3,(H2,3,4,6)InChIKey=CPIUTLYZJKAPAD-UHFFFAOYSA-N284.6Ex 284.60(BP est) 60.96(MP est) ----(BP exp) ----(MP exp) [Se]=P(CC)(O)O 61Pred
[Se]=P(C)(O)OC15882173.01C2H7O2PSeO-methyl O-hydrogen methylphosphonoselenoateN136[Se]=P(C)(O)OCInChI=1S/C2H7O2PSe/c1-4-5(2,3)6/h1-2H3,(H,3,6)InChIKey=UNRSLMMJBYVOOZ-UHFFFAOYSA-N225.5Ex 225.54(BP est) 24.43(MP est) ----(BP exp) ----(MP exp) [Se]=P(C)(O)OC 24.4Pred
C[Se]C[Se]CF15883220.007C3H7FSe2(fluoromethyl)((methylselanyl)methyl)selaneN136C[Se]C[Se]CFInChI=1S/C3H7FSe2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=LMKRJGKFFSOKKM-UHFFFAOYSA-N179.4Ex 179.40(BP est) 16.04(MP est) ----(BP exp) ----(MP exp) C[Se]C[Se]CF 16Pred
C[Se]C(F)[Se]C15884220.007C3H7FSe2(fluoromethylene)bis(methylselane)N136C[Se]C(F)[Se]CInChI=1S/C3H7FSe2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=FPTQTWQHNLYXEE-UHFFFAOYSA-N166.7Ex 166.68(BP est) 4.83(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)[Se]C 4.8Pred
C[Se][Se]C(F)C15885220.007C3H7FSe21-(1-fluoroethyl)-2-methyldiselaneN136C[Se][Se]C(F)CInChI=1S/C3H7FSe2/c1-3(4)6-5-2/h3H,1-2H3InChIKey=PYNKXISSJFLLLW-UHFFFAOYSA-N166.7Ex 166.68(BP est) 4.83(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(F)C 4.8Pred
C[Se][Se]CCF15886220.007C3H7FSe21-(2-fluoroethyl)-2-methyldiselaneN136C[Se][Se]CCFInChI=1S/C3H7FSe2/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=JXCANYABOMSCNV-UHFFFAOYSA-N179.4Ex 179.40(BP est) 16.04(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CCF 16Pred
FC[Se][Se]CC15887220.007C3H7FSe21-ethyl-2-(fluoromethyl)diselaneN136FC[Se][Se]CCInChI=1S/C3H7FSe2/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=UTCJKPGOXXGDFP-UHFFFAOYSA-N179.4Ex 179.40(BP est) 16.04(MP est) ----(BP exp) ----(MP exp) FC[Se][Se]CC 16Pred
C[Se][Se]C[SeH]15888266.95C2H6Se3(methyldiselaneyl)methaneselenolN115C[Se][Se]C[Se]([H])InChI=1S/C2H6Se3/c1-4-5-2-3/h3H,2H2,1H3InChIKey=LDYCVFAUJUFNBW-UHFFFAOYSA-N234.1Ex 234.08(BP est) 52.39(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C[Se]([H]) 52.4Pred
C[Se][Se][Se]C15889266.95C2H6Se31,3-dimethyltriselaneN115C[Se][Se][Se]CInChI=1S/C2H6Se3/c1-3-5-4-2/h1-2H3InChIKey=JLYHRGWTAZOXPR-UHFFFAOYSA-N232.4Ex 232.39(BP est) 47.56(MP est) ----(BP exp) ----(MP exp) C[Se][Se][Se]C 47.6Pred
[SeH]C[Se]C[SeH]15890266.95C2H6Se3selenodimethaneselenolN115[Se]([H])C[Se]C[Se]([H])InChI=1S/C2H6Se3/c3-1-5-2-4/h3-4H,1-2H2InChIKey=IWLNZLBCRIDFIX-UHFFFAOYSA-N235.8Ex 235.77(BP est) 57.22(MP est) ----(BP exp) ----(MP exp) [Se]([H])C[Se]C[Se]([H]) 57.2Pred
C[Se]C(Cl)=CF15891173.473C3H4ClFSe(1-chloro-2-fluorovinyl)(methyl)selaneN106C[Se]C(Cl)=CFInChI=1S/C3H4ClFSe/c1-6-3(4)2-5/h2H,1H3InChIKey=YJLFRRJFJFDPDZ-UHFFFAOYSA-N129.9Ex 129.88(BP est) -40.47(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)=CF -40.5Pred
FC[Se]C(Cl)=C15892173.473C3H4ClFSe(1-chlorovinyl)(fluoromethyl)selaneN106FC[Se]C(Cl)=CInChI=1S/C3H4ClFSe/c1-3(4)6-2-5/h1-2H2InChIKey=UWGQLZCLMYOYAA-UHFFFAOYSA-N121.1Ex 121.06(BP est) -41.39(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Cl)=C -41.4Pred
C[Se]C(F)=CCl15893173.473C3H4ClFSe(2-chloro-1-fluorovinyl)(methyl)selaneN106C[Se]C(F)=CClInChI=1S/C3H4ClFSe/c1-6-3(5)2-4/h2H,1H3InChIKey=QPHHCTMTKMGDOR-UHFFFAOYSA-N129.9Ex 129.88(BP est) -40.47(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)=CCl -40.5Pred
C[Se]C=C(Cl)F15894173.473C3H4ClFSe(2-chloro-2-fluorovinyl)(methyl)selaneN106C[Se]C=C(Cl)FInChI=1S/C3H4ClFSe/c1-6-2-3(4)5/h2H,1H3InChIKey=JMITUNHREQREMN-UHFFFAOYSA-N129.9Ex 129.88(BP est) -40.47(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(Cl)F -40.5Pred
FC[Se]C=CCl15895173.473C3H4ClFSe(2-chlorovinyl)(fluoromethyl)selaneN106FC[Se]C=CClInChI=1S/C3H4ClFSe/c4-1-2-6-3-5/h1-2H,3H2InChIKey=AVQHOIKVTGVJDA-UHFFFAOYSA-N136.1Ex 136.09(BP est) -31.68(MP est) ----(BP exp) ----(MP exp) FC[Se]C=CCl -31.7Pred
ClC(F)[Se]C=C15896173.473C3H4ClFSe(chlorofluoromethyl)(vinyl)selaneN106ClC(F)[Se]C=CInChI=1S/C3H4ClFSe/c1-2-6-3(4)5/h2-3H,1H2InChIKey=IYJKMGLZBUBFRI-UHFFFAOYSA-N128.1Ex 128.05(BP est) -39.87(MP est) ----(BP exp) ----(MP exp) ClC(F)[Se]C=C -39.9Pred
ClC[Se]C(F)=C15897173.473C3H4ClFSe(chloromethyl)(1-fluorovinyl)selaneN106ClC[Se]C(F)=CInChI=1S/C3H4ClFSe/c1-3(5)6-2-4/h1-2H2InChIKey=HYNWUIWTPWGWJB-UHFFFAOYSA-N147.8Ex 147.80(BP est) -33.58(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(F)=C -33.6Pred
ClC[Se]C=CF15898173.473C3H4ClFSe(chloromethyl)(2-fluorovinyl)selaneN106ClC[Se]C=CFInChI=1S/C3H4ClFSe/c4-3-6-2-1-5/h1-2H,3H2InChIKey=ITESHMBXEJMECL-UHFFFAOYSA-N162.1Ex 162.13(BP est) -24.08(MP est) ----(BP exp) ----(MP exp) ClC[Se]C=CF -24.1Pred
[SeH]C(C=C)(Cl)F15899173.473C3H4ClFSe1-chloro-1-fluoroprop-2-ene-1-selenolN106[Se]([H])C(C=C)(Cl)FInChI=1S/C3H4ClFSe/c1-2-3(4,5)6/h2,6H,1H2InChIKey=QBTIHDLLLTWLLT-UHFFFAOYSA-N108.3Ex 108.27(BP est) -28.75(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(Cl)F -28.8Pred
[SeH]C1(Cl)C(F)C115900173.473C3H4ClFSe1-chloro-2-fluorocyclopropane-1-selenolN106[Se]([H])C1(Cl)C(F)C1InChI=1S/C3H4ClFSe/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=SIIGXERGKSSCHY-UHFFFAOYSA-N118.3Ex 118.30(BP est) -7.35(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Cl)C(F)C1 -7.4Pred
[SeH]C(Cl)C(F)=C15901173.473C3H4ClFSe1-chloro-2-fluoroprop-2-ene-1-selenolN106[Se]([H])C(Cl)C(F)=CInChI=1S/C3H4ClFSe/c1-2(5)3(4)6/h3,6H,1H2InChIKey=VQQFSMLWBAJDGN-UHFFFAOYSA-N123.9Ex 123.90(BP est) -39.87(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(F)=C -39.9Pred
[SeH]C(Cl)C=CF15902173.473C3H4ClFSe1-chloro-3-fluoroprop-2-ene-1-selenolN106[Se]([H])C(Cl)C=CFInChI=1S/C3H4ClFSe/c4-3(6)1-2-5/h1-3,6HInChIKey=SICLJOZNSUFXEK-UHFFFAOYSA-N138.9Ex 138.85(BP est) -30.19(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C=CF -30.2Pred
ClC(F)C1C[Se]115903173.473C3H4ClFSe2-(chlorofluoromethyl)seleniraneN106ClC(F)C1C[Se]1InChI=1S/C3H4ClFSe/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=FLFMOZWNBYSEIB-UHFFFAOYSA-N131.6Ex 131.56(BP est) -27.23(MP est) ----(BP exp) ----(MP exp) ClC(F)C1C[Se]1 -27.2Pred
FC1(CCl)C[Se]115904173.473C3H4ClFSe2-(chloromethyl)-2-fluoroseleniraneN106FC1(CCl)C[Se]1InChI=1S/C3H4ClFSe/c4-1-3(5)2-6-3/h1-2H2InChIKey=CPECSCBHHABDTE-UHFFFAOYSA-N145.5Ex 145.54(BP est) -3.70(MP est) ----(BP exp) ----(MP exp) FC1(CCl)C[Se]1 -3.7Pred
FC1C(CCl)[Se]115905173.473C3H4ClFSe2-(chloromethyl)-3-fluoroseleniraneN106FC1C(CCl)[Se]1InChI=1S/C3H4ClFSe/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=MKPWBLAKNFTNSR-UHFFFAOYSA-N150.8Ex 150.81(BP est) -16.23(MP est) ----(BP exp) ----(MP exp) FC1C(CCl)[Se]1 -16.2Pred
[SeH]C1(F)C(Cl)C115906173.473C3H4ClFSe2-chloro-1-fluorocyclopropane-1-selenolN106[Se]([H])C1(F)C(Cl)C1InChI=1S/C3H4ClFSe/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=ADRILCAQGKNKMQ-UHFFFAOYSA-N130.9Ex 130.86(BP est) -3.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(F)C(Cl)C1 -3.7Pred
[SeH]C(F)C(Cl)=C15907173.473C3H4ClFSe2-chloro-1-fluoroprop-2-ene-1-selenolN106[Se]([H])C(F)C(Cl)=CInChI=1S/C3H4ClFSe/c1-2(4)3(5)6/h3,6H,1H2InChIKey=YSGCHQRZCHQGMX-UHFFFAOYSA-N109.1Ex 109.09(BP est) -44.20(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Cl)=C -44.2Pred
ClC1(CF)C[Se]115908173.473C3H4ClFSe2-chloro-2-(fluoromethyl)seleniraneN106ClC1(CF)C[Se]1InChI=1S/C3H4ClFSe/c4-3(1-5)2-6-3/h1-2H2InChIKey=UBXQGEKBJVGBEH-UHFFFAOYSA-N120.8Ex 120.76(BP est) -10.94(MP est) ----(BP exp) ----(MP exp) ClC1(CF)C[Se]1 -10.9Pred
ClC1(F)C(C)[Se]115909173.473C3H4ClFSe2-chloro-2-fluoro-3-methylseleniraneN106ClC1(F)C(C)[Se]1InChI=1S/C3H4ClFSe/c1-2-3(4,5)6-2/h2H,1H3InChIKey=YEIACOJAOMNRQQ-UHFFFAOYSA-N114.0Ex 113.99(BP est) -15.03(MP est) ----(BP exp) ----(MP exp) ClC1(F)C(C)[Se]1 -15Pred
[SeH]C1C(F)(Cl)C115910173.473C3H4ClFSe2-chloro-2-fluorocyclopropane-1-selenolN106[Se]([H])C1C(F)(Cl)C1InChI=1S/C3H4ClFSe/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=AKLJEZJAZIWHQG-UHFFFAOYSA-N118.3Ex 118.30(BP est) -7.35(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)(Cl)C1 -7.4Pred
ClC1(F)[Se]CC115911173.473C3H4ClFSe2-chloro-2-fluoroselenetaneN106ClC1(F)[Se]CC1InChI=1S/C3H4ClFSe/c4-3(5)1-2-6-3/h1-2H2InChIKey=LDOLXZGNAIYFFT-UHFFFAOYSA-N122.9Ex 122.88(BP est) -12.08(MP est) ----(BP exp) ----(MP exp) ClC1(F)[Se]CC1 -12.1Pred
ClC1C(CF)[Se]115912173.473C3H4ClFSe2-chloro-3-(fluoromethyl)seleniraneN106ClC1C(CF)[Se]1InChI=1S/C3H4ClFSe/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=UYTOWIAFOKWCMD-UHFFFAOYSA-N138.7Ex 138.65(BP est) -19.78(MP est) ----(BP exp) ----(MP exp) ClC1C(CF)[Se]1 -19.8Pred
FC1C(C)(Cl)[Se]115913173.473C3H4ClFSe2-chloro-3-fluoro-2-methylseleniraneN106FC1C(C)(Cl)[Se]1InChI=1S/C3H4ClFSe/c1-3(4)2(5)6-3/h2H,1H3InChIKey=DMJBXKOCDWXLOJ-UHFFFAOYSA-N114.0Ex 113.99(BP est) -15.03(MP est) ----(BP exp) ----(MP exp) FC1C(C)(Cl)[Se]1 -15Pred
[SeH]C1C(F)C1Cl15914173.473C3H4ClFSe2-chloro-3-fluorocyclopropane-1-selenolN106[Se]([H])C1C(F)C1ClInChI=1S/C3H4ClFSe/c4-1-2(5)3(1)6/h1-3,6HInChIKey=JUYACQHBYKEWGK-UHFFFAOYSA-N136.3Ex 136.26(BP est) -16.17(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)C1Cl -16.2Pred
[SeH]CC(Cl)=CF15915173.473C3H4ClFSe2-chloro-3-fluoroprop-2-ene-1-selenolN106[Se]([H])CC(Cl)=CFInChI=1S/C3H4ClFSe/c4-3(1-5)2-6/h1,6H,2H2InChIKey=YXDRYWVKGIGSJR-UHFFFAOYSA-N132.0Ex 131.99(BP est) -31.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)=CF -31.7Pred
ClC1[Se]CC1F15916173.473C3H4ClFSe2-chloro-3-fluoroselenetaneN106ClC1[Se]CC1FInChI=1S/C3H4ClFSe/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=IBHBKSPQJOUKGV-UHFFFAOYSA-N140.7Ex 140.71(BP est) -20.94(MP est) ----(BP exp) ----(MP exp) ClC1[Se]CC1F -20.9Pred
ClC1CC(F)[Se]115917173.473C3H4ClFSe2-chloro-4-fluoroselenetaneN106ClC1CC(F)[Se]1InChI=1S/C3H4ClFSe/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=BJQQUCIKMBICLP-UHFFFAOYSA-N140.7Ex 140.71(BP est) -20.94(MP est) ----(BP exp) ----(MP exp) ClC1CC(F)[Se]1 -20.9Pred
[SeH]C(F)C=CCl15918173.473C3H4ClFSe3-chloro-1-fluoroprop-2-ene-1-selenolN106[Se]([H])C(F)C=CClInChI=1S/C3H4ClFSe/c4-2-1-3(5)6/h1-3,6HInChIKey=DBQAEZMNQWROQN-UHFFFAOYSA-N124.4Ex 124.42(BP est) -34.40(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C=CCl -34.4Pred
ClC1C(C)(F)[Se]115919173.473C3H4ClFSe3-chloro-2-fluoro-2-methylseleniraneN106ClC1C(C)(F)[Se]1InChI=1S/C3H4ClFSe/c1-3(5)2(4)6-3/h2H,1H3InChIKey=UDXPDOQWQFPFBB-UHFFFAOYSA-N126.6Ex 126.64(BP est) -11.34(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(F)[Se]1 -11.3Pred
[SeH]CC(F)=CCl15920173.473C3H4ClFSe3-chloro-2-fluoroprop-2-ene-1-selenolN106[Se]([H])CC(F)=CClInChI=1S/C3H4ClFSe/c4-1-3(5)2-6/h1,6H,2H2InChIKey=KBBBFMMPSGIXPF-UHFFFAOYSA-N132.0Ex 131.99(BP est) -31.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)=CCl -31.7Pred
FC1[Se]CC1Cl15921173.473C3H4ClFSe3-chloro-2-fluoroselenetaneN106FC1[Se]CC1ClInChI=1S/C3H4ClFSe/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=WGBMXYWBGKUWPL-UHFFFAOYSA-N140.7Ex 140.71(BP est) -20.94(MP est) ----(BP exp) ----(MP exp) FC1[Se]CC1Cl -20.9Pred
[SeH]CC=C(Cl)F15922173.473C3H4ClFSe3-chloro-3-fluoroprop-2-ene-1-selenolN106[Se]([H])CC=C(Cl)FInChI=1S/C3H4ClFSe/c4-3(5)1-2-6/h1,6H,2H2InChIKey=LAOYEUPKTCQHCJ-UHFFFAOYSA-N132.0Ex 131.99(BP est) -31.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(Cl)F -31.7Pred
ClC1(F)C[Se]C115923173.473C3H4ClFSe3-chloro-3-fluoroselenetaneN106ClC1(F)C[Se]C1InChI=1S/C3H4ClFSe/c4-3(5)1-6-2-3/h1-2H2InChIKey=POIUNTZQVKCQOR-UHFFFAOYSA-N122.9Ex 122.88(BP est) -12.08(MP est) ----(BP exp) ----(MP exp) ClC1(F)C[Se]C1 -12.1Pred
[SeH]CBr15924173.899CH3BrSebromomethaneselenolN63[Se]([H])CBrInChI=1S/CH3BrSe/c2-1-3/h3H,1H2InChIKey=RTCZOEDEKPTQKZ-UHFFFAOYSA-N123.0Ex 123.02(BP est) -21.40(MP est) ----(BP exp) ----(MP exp) [Se]([H])CBr -21.4Pred
O=P(C[SeH])(O)O15926174.982CH5O3PSe(hydroselenomethyl)phosphonic acidN116O=P(C[Se]([H]))(O)OInChI=1S/CH5O3PSe/c2-5(3,4)1-6/h6H,1H2,(H2,2,3,4)InChIKey=BNIWSWQUXXHYBC-UHFFFAOYSA-N310.0Ex 310.01(BP est) 71.18(MP est) ----(BP exp) ----(MP exp) O=P(C[Se]([H]))(O)O 71.2Pred
[Se]=P(OC)(O)O15927174.982CH5O3PSeO-methyl O,O-dihydrogen phosphoroselenoateN116[Se]=P(OC)(O)OInChI=1S/CH5O3PSe/c1-4-5(2,3)6/h1H3,(H2,2,3,6)InChIKey=WNMWCRVYMHAGQI-UHFFFAOYSA-N285.2Ex 285.20(BP est) 66.62(MP est) ----(BP exp) ----(MP exp) [Se]=P(OC)(O)O 66.6Pred
C[Se]C(C)(Cl)F15928175.489C3H6ClFSe(1-chloro-1-fluoroethyl)(methyl)selaneN126C[Se]C(C)(Cl)FInChI=1S/C3H6ClFSe/c1-3(4,5)6-2/h1-2H3InChIKey=FPNLJBAPQZTVQX-UHFFFAOYSA-N107.8Ex 107.84(BP est) -36.18(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(Cl)F -36.2Pred
C[Se]C(Cl)CF15929175.489C3H6ClFSe(1-chloro-2-fluoroethyl)(methyl)selaneN126C[Se]C(Cl)CFInChI=1S/C3H6ClFSe/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=KJBJCPUBYQYLMN-UHFFFAOYSA-N129.8Ex 129.76(BP est) -38.49(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)CF -38.5Pred
FC[Se]C(Cl)C15930175.489C3H6ClFSe(1-chloroethyl)(fluoromethyl)selaneN126FC[Se]C(Cl)CInChI=1S/C3H6ClFSe/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=GWLDMGNALNRRCU-UHFFFAOYSA-N129.8Ex 129.76(BP est) -38.49(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Cl)C -38.5Pred
C[Se]C(F)CCl15931175.489C3H6ClFSe(2-chloro-1-fluoroethyl)(methyl)selaneN126C[Se]C(F)CClInChI=1S/C3H6ClFSe/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=BYHZSGURTYJZHT-UHFFFAOYSA-N142.1Ex 142.12(BP est) -34.88(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)CCl -34.9Pred
C[Se]CC(Cl)F15932175.489C3H6ClFSe(2-chloro-2-fluoroethyl)(methyl)selaneN126C[Se]CC(Cl)FInChI=1S/C3H6ClFSe/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=OZWMZPHLJHDFTI-UHFFFAOYSA-N129.8Ex 129.76(BP est) -38.49(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Cl)F -38.5Pred
FC[Se]CCCl15933175.489C3H6ClFSe(2-chloroethyl)(fluoromethyl)selaneN126FC[Se]CCClInChI=1S/C3H6ClFSe/c4-1-2-6-3-5/h1-3H2InChIKey=NKSJAIWRVLUJLV-UHFFFAOYSA-N155.5Ex 155.45(BP est) -23.49(MP est) ----(BP exp) ----(MP exp) FC[Se]CCCl -23.5Pred
ClC(F)[Se]CC15934175.489C3H6ClFSe(chlorofluoromethyl)(ethyl)selaneN126ClC(F)[Se]CCInChI=1S/C3H6ClFSe/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=BVUHYUYEKBEXPS-UHFFFAOYSA-N129.8Ex 129.76(BP est) -38.49(MP est) ----(BP exp) ----(MP exp) ClC(F)[Se]CC -38.5Pred
ClC[Se]C(F)C15935175.489C3H6ClFSe(chloromethyl)(1-fluoroethyl)selaneN126ClC[Se]C(F)CInChI=1S/C3H6ClFSe/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=DQXAWNDRRWQCFJ-UHFFFAOYSA-N142.1Ex 142.12(BP est) -34.88(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(F)C -34.9Pred
ClC[Se]CCF15936175.489C3H6ClFSe(chloromethyl)(2-fluoroethyl)selaneN126ClC[Se]CCFInChI=1S/C3H6ClFSe/c4-3-6-2-1-5/h1-3H2InChIKey=WWVILIJBMCMOSE-UHFFFAOYSA-N155.5Ex 155.45(BP est) -23.49(MP est) ----(BP exp) ----(MP exp) ClC[Se]CCF -23.5Pred
[SeH]C(CC)(Cl)F15937175.489C3H6ClFSe1-chloro-1-fluoropropane-1-selenolN126[Se]([H])C(CC)(Cl)FInChI=1S/C3H6ClFSe/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=JKYWCDJPUAMVSJ-UHFFFAOYSA-N110.0Ex 110.04(BP est) -27.35(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(Cl)F -27.4Pred
[SeH]C(C)C(Cl)F15938175.489C3H6ClFSe1-chloro-1-fluoropropane-2-selenolN126[Se]([H])C(C)C(Cl)FInChI=1S/C3H6ClFSe/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=AFKYGNGDZLYGFO-UHFFFAOYSA-N118.0Ex 117.97(BP est) -41.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(Cl)F -41.2Pred
[SeH]C(Cl)C(F)C15939175.489C3H6ClFSe1-chloro-2-fluoropropane-1-selenolN126[Se]([H])C(Cl)C(F)CInChI=1S/C3H6ClFSe/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=MVCSSSPQNZRHPI-UHFFFAOYSA-N118.0Ex 117.97(BP est) -41.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(F)C -41.2Pred
[SeH]C(CCl)(F)C15940175.489C3H6ClFSe1-chloro-2-fluoropropane-2-selenolN126[Se]([H])C(CCl)(F)CInChI=1S/C3H6ClFSe/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=NWHQOQZZHWKMSR-UHFFFAOYSA-N135.3Ex 135.27(BP est) -19.98(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(F)C -20Pred
[SeH]C(Cl)CCF15941175.489C3H6ClFSe1-chloro-3-fluoropropane-1-selenolN126[Se]([H])C(Cl)CCFInChI=1S/C3H6ClFSe/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=DURLUSKUURGBRA-UHFFFAOYSA-N131.9Ex 131.88(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)CCF -29.7Pred
[SeH]C(CCl)CF15942175.489C3H6ClFSe1-chloro-3-fluoropropane-2-selenolN126[Se]([H])C(CCl)CFInChI=1S/C3H6ClFSe/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=SMSCIXXFXVZCPL-UHFFFAOYSA-N144.2Ex 144.18(BP est) -26.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)CF -26.1Pred
[SeH]C(F)C(Cl)C15943175.489C3H6ClFSe2-chloro-1-fluoropropane-1-selenolN126[Se]([H])C(F)C(Cl)CInChI=1S/C3H6ClFSe/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=KJIMLEZJZXMSPR-UHFFFAOYSA-N118.0Ex 117.97(BP est) -41.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Cl)C -41.2Pred
[SeH]C(CF)(Cl)C15944175.489C3H6ClFSe2-chloro-1-fluoropropane-2-selenolN126[Se]([H])C(CF)(Cl)CInChI=1S/C3H6ClFSe/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=BEYMQICAVKXZDB-UHFFFAOYSA-N110.0Ex 110.04(BP est) -27.35(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Cl)C -27.4Pred
[SeH]CC(C)(Cl)F15945175.489C3H6ClFSe2-chloro-2-fluoropropane-1-selenolN126[Se]([H])CC(C)(Cl)FInChI=1S/C3H6ClFSe/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=UYKSQRSXPDHHNV-UHFFFAOYSA-N110.0Ex 110.04(BP est) -27.35(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(Cl)F -27.4Pred
[SeH]CC(Cl)CF15946175.489C3H6ClFSe2-chloro-3-fluoropropane-1-selenolN126[Se]([H])CC(Cl)CFInChI=1S/C3H6ClFSe/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=FOLABAFRKZWWSW-UHFFFAOYSA-N131.9Ex 131.88(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)CF -29.7Pred
[SeH]C(F)CCCl15947175.489C3H6ClFSe3-chloro-1-fluoropropane-1-selenolN126[Se]([H])C(F)CCClInChI=1S/C3H6ClFSe/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=USHPEYBUGFBVFC-UHFFFAOYSA-N144.2Ex 144.18(BP est) -26.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CCCl -26.1Pred
[SeH]CC(F)CCl15948175.489C3H6ClFSe3-chloro-2-fluoropropane-1-selenolN126[Se]([H])CC(F)CClInChI=1S/C3H6ClFSe/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=PJRDTDWOMRPHHB-UHFFFAOYSA-N144.2Ex 144.18(BP est) -26.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)CCl -26.1Pred
[SeH]CCC(Cl)F15949175.489C3H6ClFSe3-chloro-3-fluoropropane-1-selenolN126[Se]([H])CCC(Cl)FInChI=1S/C3H6ClFSe/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=CWAPXWQULWSRCZ-UHFFFAOYSA-N131.9Ex 131.88(BP est) -29.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Cl)F -29.7Pred
C[Se][Se]CCl15950222.432C2H5ClSe21-(chloromethyl)-2-methyldiselaneN105C[Se][Se]CClInChI=1S/C2H5ClSe2/c1-4-5-2-3/h2H2,1H3InChIKey=CVFRCWNROBURCC-UHFFFAOYSA-N211.2Ex 211.18(BP est) 26.12(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CCl 26.1Pred
FC(F)=[Se]15951128.968CF2Secarbonoselenoic difluorideN44FC(F)=[Se]InChI=1S/CF2Se/c2-1(3)4InChIKey=KNMZYMQUMFBLEK-UHFFFAOYSA-N45.2Ex 45.24(BP est) -81.66(MP est) ----(BP exp) ----(MP exp) FC(F)=[Se] -81.7Pred
ClC1(Cl)C[Se]115952175.898C2H2Cl2Se2,2-dichloroseleniraneN75ClC1(Cl)C[Se]1InChI=1S/C2H2Cl2Se/c3-2(4)1-5-2/h1H2InChIKey=KFNXUGPCLJOINS-UHFFFAOYSA-N132.0Ex 132.04(BP est) 1.39(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C[Se]1 1.4Pred
ClC1C(Cl)[Se]115953175.898C2H2Cl2Se2,3-dichloroseleniraneN75ClC1C(Cl)[Se]1InChI=1S/C2H2Cl2Se/c3-1-2(4)5-1/h1-2HInChIKey=WVJSVVDJZRGTAG-UHFFFAOYSA-N161.5Ex 161.47(BP est) -4.09(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)[Se]1 -4.1Pred
C[Se][Se]C(F)F15954223.971C2H4F2Se21-(difluoromethyl)-2-methyldiselaneN106C[Se][Se]C(F)FInChI=1S/C2H4F2Se2/c1-5-6-2(3)4/h2H,1H3InChIKey=BHGQFCKCNPIZHG-UHFFFAOYSA-N147.0Ex 147.03(BP est) -6.25(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(F)F -6.3Pred
FC[Se][Se]CF15955223.971C2H4F2Se21,2-bis(fluoromethyl)diselaneN106FC[Se][Se]CFInChI=1S/C2H4F2Se2/c3-1-5-6-2-4/h1-2H2InChIKey=RAQUOLABEKRIBY-UHFFFAOYSA-N160.2Ex 160.24(BP est) 5.11(MP est) ----(BP exp) ----(MP exp) FC[Se][Se]CF 5.1Pred
FC1C(F)(Cl)[Se]115956177.437C2HClF2Se2-chloro-2,3-difluoroseleniraneN76FC1C(F)(Cl)[Se]1InChI=1S/C2HClF2Se/c3-2(5)1(4)6-2/h1HInChIKey=TUUNSVQUAGCTCN-UHFFFAOYSA-N92.4Ex 92.42(BP est) -26.67(MP est) ----(BP exp) ----(MP exp) FC1C(F)(Cl)[Se]1 -26.7Pred
ClC1C(F)(F)[Se]115957177.437C2HClF2Se3-chloro-2,2-difluoroseleniraneN76ClC1C(F)(F)[Se]1InChI=1S/C2HClF2Se/c3-1-2(4,5)6-1/h1HInChIKey=NIHKBYKFSVJCIP-UHFFFAOYSA-N105.5Ex 105.52(BP est) -22.84(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(F)[Se]1 -22.8Pred
C[Se]C(Cl)Cl15958177.914C2H4Cl2Se(dichloromethyl)(methyl)selaneN95C[Se]C(Cl)ClInChI=1S/C2H4Cl2Se/c1-5-2(3)4/h2H,1H3InChIKey=PEXJPJZEMQNITI-UHFFFAOYSA-N153.0Ex 152.95(BP est) -22.69(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)Cl -22.7Pred
[SeH]C(Cl)(Cl)C15959177.914C2H4Cl2Se1,1-dichloroethane-1-selenolN95[Se]([H])C(Cl)(Cl)CInChI=1S/C2H4Cl2Se/c1-2(3,4)5/h5H,1H3InChIKey=HIKZTJXSFWWYAF-UHFFFAOYSA-N121.5Ex 121.52(BP est) -14.97(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(Cl)C -15Pred
[SeH]C(CCl)Cl15960177.914C2H4Cl2Se1,2-dichloroethane-1-selenolN95[Se]([H])C(CCl)ClInChI=1S/C2H4Cl2Se/c3-1-2(4)5/h2,5H,1H2InChIKey=BTBADUPIGSZMLS-UHFFFAOYSA-N166.8Ex 166.77(BP est) -10.47(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)Cl -10.5Pred
[SeH]CC(Cl)Cl15961177.914C2H4Cl2Se2,2-dichloroethane-1-selenolN95[Se]([H])CC(Cl)ClInChI=1S/C2H4Cl2Se/c3-2(4)1-5/h2,5H,1H2InChIKey=POLJDWOMJUXQGB-UHFFFAOYSA-N155.0Ex 154.98(BP est) -13.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)Cl -13.9Pred
ClC[Se]CCl15962177.914C2H4Cl2Sebis(chloromethyl)selaneN95ClC[Se]CClInChI=1S/C2H4Cl2Se/c3-1-5-2-4/h1-2H2InChIKey=NSNYWSXWUKBJFF-UHFFFAOYSA-N188.8Ex 188.84(BP est) -4.71(MP est) ----(BP exp) ----(MP exp) ClC[Se]CCl -4.7Pred
C[Se]C(F)(Cl)F15964179.453C2H3ClF2Se(chlorodifluoromethyl)(methyl)selaneN96C[Se]C(F)(Cl)FInChI=1S/C2H3ClF2Se/c1-6-2(3,4)5/h1H3InChIKey=IYHQXVSFMKIQGY-UHFFFAOYSA-N86.1Ex 86.07(BP est) -47.87(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)(Cl)F -47.9Pred
FC[Se]C(Cl)F15965179.453C2H3ClF2Se(chlorofluoromethyl)(fluoromethyl)selaneN96FC[Se]C(Cl)FInChI=1S/C2H3ClF2Se/c3-2(5)6-1-4/h2H,1H2InChIKey=VVCLDTGEHYGJPB-UHFFFAOYSA-N108.8Ex 108.76(BP est) -49.96(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Cl)F -50Pred
ClC[Se]C(F)F15966179.453C2H3ClF2Se(chloromethyl)(difluoromethyl)selaneN96ClC[Se]C(F)FInChI=1S/C2H3ClF2Se/c3-1-6-2(4)5/h2H,1H2InChIKey=MSSWUVTZODJMFZ-UHFFFAOYSA-N121.6Ex 121.55(BP est) -46.22(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(F)F -46.2Pred
[SeH]C(CF)(Cl)F15967179.453C2H3ClF2Se1-chloro-1,2-difluoroethane-1-selenolN96[Se]([H])C(CF)(Cl)FInChI=1S/C2H3ClF2Se/c3-2(5,6)1-4/h6H,1H2InChIKey=SZNKSCLSQULFGT-UHFFFAOYSA-N88.3Ex 88.34(BP est) -39.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Cl)F -39Pred
[SeH]C(Cl)C(F)F15968179.453C2H3ClF2Se1-chloro-2,2-difluoroethane-1-selenolN96[Se]([H])C(Cl)C(F)FInChI=1S/C2H3ClF2Se/c3-1(6)2(4)5/h1-2,6HInChIKey=DZPPXFYANCSVCW-UHFFFAOYSA-N96.6Ex 96.55(BP est) -52.84(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(F)F -52.8Pred
[SeH]C(CCl)(F)F15969179.453C2H3ClF2Se2-chloro-1,1-difluoroethane-1-selenolN96[Se]([H])C(CCl)(F)FInChI=1S/C2H3ClF2Se/c3-1-2(4,5)6/h6H,1H2InChIKey=ZLXXHFFHEOKJBP-UHFFFAOYSA-N114.5Ex 114.46(BP est) -31.40(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(F)F -31.4Pred
[SeH]C(F)C(Cl)F15970179.453C2H3ClF2Se2-chloro-1,2-difluoroethane-1-selenolN96[Se]([H])C(F)C(Cl)FInChI=1S/C2H3ClF2Se/c3-1(4)2(5)6/h1-2,6HInChIKey=REMICAYBJJJVTJ-UHFFFAOYSA-N96.6Ex 96.55(BP est) -52.84(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Cl)F -52.8Pred
[SeH]CC(F)(Cl)F15971179.453C2H3ClF2Se2-chloro-2,2-difluoroethane-1-selenolN96[Se]([H])CC(F)(Cl)FInChI=1S/C2H3ClF2Se/c3-2(4,5)1-6/h6H,1H2InChIKey=YDMLCBHZHMHMSV-UHFFFAOYSA-N88.3Ex 88.34(BP est) -39.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)(Cl)F -39Pred
[Se]=C1[Se]C=C[Se]115975274.929C3H2Se31,3-diselenole-2-selenoneN86[Se]=C1[Se]C=C[Se]1InChI=1S/C3H2Se3/c4-3-5-1-2-6-3/h1-2HInChIKey=HQQCZJHNGZWKAZ-UHFFFAOYSA-N261.7Ex 261.72(BP est) 76.27(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]C=C[Se]1 76.3Pred
[Se]=C1[Se][Se]C=C115976274.929C3H2Se33H-1,2-diselenole-3-selenoneN86[Se]=C1[Se][Se]C=C1InChI=1S/C3H2Se3/c4-3-1-2-5-6-3/h1-2HInChIKey=NIAVKSUFYBPKLF-UHFFFAOYSA-N261.7Ex 261.72(BP est) 76.27(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se][Se]C=C1 76.3Pred
[SeH]C(F)(Cl)Cl15977181.877CHCl2FSedichlorofluoromethaneselenolN65[Se]([H])C(F)(Cl)ClInChI=1S/CHCl2FSe/c2-1(3,4)5/h5HInChIKey=FEJIJPMKHGZAAX-UHFFFAOYSA-N100.2Ex 100.23(BP est) -26.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)(Cl)Cl -26.5Pred
CC(C=[Se])=O15978135.024C3H4OSe2-oxopropaneselenalN95CC(C=[Se])=OInChI=1S/C3H4OSe/c1-3(4)2-5/h2H,1H3InChIKey=ZHSLAPXDWQFKQG-UHFFFAOYSA-N142.7Ex 142.71(BP est) -10.58(MP est) ----(BP exp) ----(MP exp) CC(C=[Se])=O -10.6Pred
[Se]=C1[Se]N=C[Se]115983275.917C2HNSe31,4,2-diselenazole-5-selenoneN76[Se]=C1[Se]N=C[Se]1InChI=1S/C2HNSe3/c4-2-5-1-3-6-2/h1HInChIKey=GNLYZDAIXKGOHZ-UHFFFAOYSA-N272.3Ex 272.34(BP est) 95.99(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]N=C[Se]1 96Pred
[Se]=C1N=C[Se][Se]115984275.917C2HNSe33H-1,2,4-diselenazole-3-selenoneN76[Se]=C1N=C[Se][Se]1InChI=1S/C2HNSe3/c4-2-3-1-5-6-2/h1HInChIKey=PKEPPZGUXRCDFQ-UHFFFAOYSA-N272.3Ex 272.34(BP est) 95.99(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=C[Se][Se]1 96Pred
[Se]=C1[Se][Se]CC115986276.945C3H4Se31,2-diselenolane-3-selenoneN106[Se]=C1[Se][Se]CC1InChI=1S/C3H4Se3/c4-3-1-2-5-6-3/h1-2H2InChIKey=MXCGZKGGZYTMJD-UHFFFAOYSA-N259.5Ex 259.49(BP est) 75.11(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se][Se]CC1 75.1Pred
[Se]=C1[Se]CC[Se]115987276.945C3H4Se31,3-diselenolane-2-selenoneN106[Se]=C1[Se]CC[Se]1InChI=1S/C3H4Se3/c4-3-5-1-2-6-3/h1-2H2InChIKey=FVWIWHDYQPNWGO-UHFFFAOYSA-N259.5Ex 259.49(BP est) 75.11(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]CC[Se]1 75.1Pred
[Se]1C=CC[Se][Se]115988276.945C3H4Se34H-1,2,3-triselenineN106[Se]1C=CC[Se][Se]1InChI=1S/C3H4Se3/c1-2-4-6-5-3-1/h1-2H,3H2InChIKey=SHXNGZZJESEUNJ-UHFFFAOYSA-N260.5Ex 260.49(BP est) 68.42(MP est) ----(BP exp) ----(MP exp) [Se]1C=CC[Se][Se]1 68.4Pred
[Se]1[Se][Se]CCC115997278.961C3H6Se31,2,3-triselenaneN126[Se]1[Se][Se]CCC1InChI=1S/C3H6Se3/c1-2-4-6-5-3-1/h1-3H2InChIKey=ROUMHDCABDKUQH-UHFFFAOYSA-N258.3Ex 258.26(BP est) 67.25(MP est) ----(BP exp) ----(MP exp) [Se]1[Se][Se]CCC1 67.3Pred
[Se]1[Se]C[Se]CC115998278.961C3H6Se31,2,4-triselenaneN126[Se]1[Se]C[Se]CC1InChI=1S/C3H6Se3/c1-2-5-6-3-4-1/h1-3H2InChIKey=CWFOFRFXZVLYLJ-UHFFFAOYSA-N258.3Ex 258.26(BP est) 67.25(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]C[Se]CC1 67.3Pred
[Se]1C[Se]C[Se]C115999278.961C3H6Se31,3,5-triselenaneN126[Se]1C[Se]C[Se]C1InChI=1S/C3H6Se3/c1-4-2-6-3-5-1/h1-3H2InChIKey=ZHVNSARECLDNGM-UHFFFAOYSA-N258.3Ex 258.26(BP est) 67.25(MP est) ----(BP exp) ----(MP exp) [Se]1C[Se]C[Se]C1 67.3Pred
C[Se]C([Se]C)=[Se]16000278.961C3H6Se3dimethyl carbonotriselenoateN126C[Se]C([Se]C)=[Se]InChI=1S/C3H6Se3/c1-5-3(4)6-2/h1-2H3InChIKey=XTIIOORKBYDMNX-UHFFFAOYSA-N249.9Ex 249.86(BP est) 57.99(MP est) ----(BP exp) ----(MP exp) C[Se]C([Se]C)=[Se] 58Pred
BrC1C[Se]116001185.91C2H3BrSe2-bromoseleniraneN74BrC1C[Se]1InChI=1S/C2H3BrSe/c3-2-1-4-2/h2H,1H2InChIKey=RQXUZEPHVLBNQT-UHFFFAOYSA-N145.4Ex 145.40(BP est) -6.68(MP est) ----(BP exp) ----(MP exp) BrC1C[Se]1 -6.7Pred
O=[Se](C)CC16003139.056C3H8OSe(methylseleninyl)ethaneN135O=[Se](C)CCInChI=1S/C3H8OSe/c1-3-5(2)4/h3H2,1-2H3InChIKey=IWBVAYUHJTUIBI-UHFFFAOYSA-N80.7Ex 80.69(BP est) -59.53(MP est) ----(BP exp) ----(MP exp) O=[Se](C)CC -59.5Pred
CP(C)([Se]C)=[Se]16004233.999C3H9PSe2methyl dimethylphosphinodiselenoateN156CP(C)([Se]C)=[Se]InChI=1S/C3H9PSe2/c1-4(2,5)6-3/h1-3H3InChIKey=WGWYNLHDRAOYGD-UHFFFAOYSA-N211.9Ex 211.87(BP est) 24.71(MP est) ----(BP exp) ----(MP exp) CP(C)([Se]C)=[Se] 24.7Pred
O=[Se]1[Se]C[Se]C116005280.933C2H4OSe31,2,4-triselenolane 1-oxideN106O=[Se]1[Se]C[Se]C1InChI=1S/C2H4OSe3/c3-6-2-4-1-5-6/h1-2H2InChIKey=JIUXFKXVVFVVLE-UHFFFAOYSA-N231.2Ex 231.19(BP est) 53.98(MP est) ----(BP exp) ----(MP exp) O=[Se]1[Se]C[Se]C1 54Pred
C[Se][Se][Se]CC16006280.977C3H8Se31-ethyl-3-methyltriselaneN146C[Se][Se][Se]CCInChI=1S/C3H8Se3/c1-3-5-6-4-2/h3H2,1-2H3InChIKey=OAKIOTWERISKMB-UHFFFAOYSA-N250.3Ex 250.32(BP est) 58.23(MP est) ----(BP exp) ----(MP exp) C[Se][Se][Se]CC 58.2Pred
C[Se]C[Se][Se]C16007280.977C3H8Se31-methyl-2-((methylselanyl)methyl)diselaneN146C[Se]C[Se][Se]CInChI=1S/C3H8Se3/c1-4-3-6-5-2/h3H2,1-2H3InChIKey=BTYGJDGWKRPNRN-UHFFFAOYSA-N250.3Ex 250.32(BP est) 58.23(MP est) ----(BP exp) ----(MP exp) C[Se]C[Se][Se]C 58.2Pred
[SeH]CC([SeH])C[SeH]16008280.977C3H8Se3propane-1,2,3-triselenolN146[Se]([H])CC([Se]([H]))C[Se]([H])InChI=1S/C3H8Se3/c4-1-3(6)2-5/h3-6H,1-2H2InChIKey=YSBOPINZRQWDJD-UHFFFAOYSA-N244.6Ex 244.58(BP est) 64.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC([Se]([H]))C[Se]([H]) 64.2Pred
[SeH]C(Cl)(Cl)C#C16009187.909C3H2Cl2Se1,1-dichloroprop-2-yne-1-selenolN86[Se]([H])C(Cl)(Cl)C#CInChI=1S/C3H2Cl2Se/c1-2-3(4,5)6/h1,6HInChIKey=VIMPCDAWBIPYPG-UHFFFAOYSA-N152.0Ex 152.04(BP est) 23.06(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(Cl)C#C 23.1Pred
[SeH]C(Cl)C#CCl16010187.909C3H2Cl2Se1,3-dichloroprop-2-yne-1-selenolN86[Se]([H])C(Cl)C#CClInChI=1S/C3H2Cl2Se/c4-2-1-3(5)6/h3,6HInChIKey=JJBGKMSCTTVMRF-UHFFFAOYSA-N178.3Ex 178.29(BP est) 21.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C#CCl 21Pred
C[Se]CBr16011187.926C2H5BrSe(bromomethyl)(methyl)selaneN94C[Se]CBrInChI=1S/C2H5BrSe/c1-4-2-3/h2H2,1H3InChIKey=JKMWLMJAXQVQTF-UHFFFAOYSA-N143.7Ex 143.65(BP est) -17.92(MP est) ----(BP exp) ----(MP exp) C[Se]CBr -17.9Pred
[SeH]C(C)Br16012187.926C2H5BrSe1-bromoethane-1-selenolN94[Se]([H])C(C)BrInChI=1S/C2H5BrSe/c1-2(3)4/h2,4H,1H3InChIKey=WQDKUTOPHFJZCQ-UHFFFAOYSA-N132.1Ex 132.14(BP est) -20.60(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)Br -20.6Pred
[SeH]CCBr16013187.926C2H5BrSe2-bromoethane-1-selenolN94[Se]([H])CCBrInChI=1S/C2H5BrSe/c3-1-2-4/h4H,1-2H2InChIKey=YHVYZZRFWUFFBR-UHFFFAOYSA-N145.7Ex 145.71(BP est) -9.14(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCBr -9.1Pred
C[Se][Se]C16014187.99C2H6Se21,2-dimethyldiselaneN104C[Se][Se]CInChI=1S/C2H6Se2/c1-3-4-2/h1-2H3InChIKey=VLXBWPOEOIIREY-UHFFFAOYSA-N156.0Ex 155.99(BP est) 3.28(MP est) 156.00(BP exp) ----(MP exp) C[Se][Se]C 3.3Pred
[Se]=P(C)(OC)S16015189.071C2H7OPSSeO-methyl S-hydrogen methylphosphonoselenothioateN136[Se]=P(C)(OC)SInChI=1S/C2H7OPSSe/c1-3-4(2,5)6/h1-2H3,(H,5,6)InChIKey=UQLRDTMLMRATEC-UHFFFAOYSA-N206.1Ex 206.10(BP est) 6.57(MP est) ----(BP exp) ----(MP exp) [Se]=P(C)(OC)S 6.6Pred
C[Se]C[Se]CCl16016236.459C3H7ClSe2(chloromethyl)((methylselanyl)methyl)selaneN136C[Se]C[Se]CClInChI=1S/C3H7ClSe2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=RHWUTGZPUBTTCP-UHFFFAOYSA-N230.1Ex 230.13(BP est) 37.25(MP est) ----(BP exp) ----(MP exp) C[Se]C[Se]CCl 37.3Pred
C[Se]C(Cl)[Se]C16017236.459C3H7ClSe2(chloromethylene)bis(methylselane)N136C[Se]C(Cl)[Se]CInChI=1S/C3H7ClSe2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=VFNBEUWNVAHJOA-UHFFFAOYSA-N208.3Ex 208.29(BP est) 23.75(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)[Se]C 23.8Pred
C[Se][Se]C(Cl)C16018236.459C3H7ClSe21-(1-chloroethyl)-2-methyldiselaneN136C[Se][Se]C(Cl)CInChI=1S/C3H7ClSe2/c1-3(4)6-5-2/h3H,1-2H3InChIKey=RHRYEVCEVKFOSG-UHFFFAOYSA-N208.3Ex 208.29(BP est) 23.75(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(Cl)C 23.8Pred
C[Se][Se]CCCl16019236.459C3H7ClSe21-(2-chloroethyl)-2-methyldiselaneN136C[Se][Se]CCClInChI=1S/C3H7ClSe2/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=CGHVTDPZJLUSTE-UHFFFAOYSA-N230.1Ex 230.13(BP est) 37.25(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CCCl 37.3Pred
ClC[Se][Se]CC16020236.459C3H7ClSe21-(chloromethyl)-2-ethyldiselaneN136ClC[Se][Se]CCInChI=1S/C3H7ClSe2/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=YJHBIXWPXDSOJR-UHFFFAOYSA-N230.1Ex 230.13(BP est) 37.25(MP est) ----(BP exp) ----(MP exp) ClC[Se][Se]CC 37.3Pred
O=[Se](O)OC16021143CH4O3Semethyl hydrogen seleniteN95O=[Se](O)OCInChI=1S/CH4O3Se/c1-4-5(2)3/h1H3,(H,2,3)InChIKey=QCRUJHNWBPSKQG-UHFFFAOYSA-N162.2Ex 162.16(BP est) -5.49(MP est) ----(BP exp) ----(MP exp) O=[Se](O)OC -5.5Pred
C[Se]C(Cl)=CCl16022189.925C3H4Cl2Se(1,2-dichlorovinyl)(methyl)selaneN106C[Se]C(Cl)=CClInChI=1S/C3H4Cl2Se/c1-6-3(5)2-4/h2H,1H3InChIKey=XICLLQOANUWYOW-UHFFFAOYSA-N161.1Ex 161.05(BP est) -16.71(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)=CCl -16.7Pred
C[Se]C=C(Cl)Cl16023189.925C3H4Cl2Se(2,2-dichlorovinyl)(methyl)selaneN106C[Se]C=C(Cl)ClInChI=1S/C3H4Cl2Se/c1-6-2-3(4)5/h2H,1H3InChIKey=FUKCSVWJTIKIRC-UHFFFAOYSA-N161.1Ex 161.05(BP est) -16.71(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(Cl)Cl -16.7Pred
ClC[Se]C(Cl)=C16024189.925C3H4Cl2Se(chloromethyl)(1-chlorovinyl)selaneN106ClC[Se]C(Cl)=CInChI=1S/C3H4Cl2Se/c1-3(5)6-2-4/h1-2H2InChIKey=WZJWPXWPGMFMIL-UHFFFAOYSA-N178.0Ex 177.97(BP est) -10.11(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Cl)=C -10.1Pred
ClC[Se]C=CCl16025189.925C3H4Cl2Se(chloromethyl)(2-chlorovinyl)selaneN106ClC[Se]C=CClInChI=1S/C3H4Cl2Se/c4-1-2-6-3-5/h1-2H,3H2InChIKey=GKGMHZJCDNXLJY-UHFFFAOYSA-N191.5Ex 191.47(BP est) -0.85(MP est) ----(BP exp) ----(MP exp) ClC[Se]C=CCl -0.9Pred
ClC([Se]C=C)Cl16026189.925C3H4Cl2Se(dichloromethyl)(vinyl)selaneN106ClC([Se]C=C)ClInChI=1S/C3H4Cl2Se/c1-2-6-3(4)5/h2-3H,1H2InChIKey=BBNFWCXWJGFUKA-UHFFFAOYSA-N172.9Ex 172.87(BP est) -12.12(MP est) ----(BP exp) ----(MP exp) ClC([Se]C=C)Cl -12.1Pred
[SeH]C(Cl)(Cl)C=C16027189.925C3H4Cl2Se1,1-dichloroprop-2-ene-1-selenolN106[Se]([H])C(Cl)(Cl)C=CInChI=1S/C3H4Cl2Se/c1-2-3(4,5)6/h2,6H,1H2InChIKey=LIRKOLZDAAOQHW-UHFFFAOYSA-N142.6Ex 142.61(BP est) -4.06(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(Cl)C=C -4.1Pred
[SeH]C1(Cl)CC1Cl16028189.925C3H4Cl2Se1,2-dichlorocyclopropane-1-selenolN106[Se]([H])C1(Cl)CC1ClInChI=1S/C3H4Cl2Se/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=UJMHFKHYFMDIHZ-UHFFFAOYSA-N163.9Ex 163.89(BP est) 20.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Cl)CC1Cl 20.6Pred
[SeH]C(C(Cl)=C)Cl16029189.925C3H4Cl2Se1,2-dichloroprop-2-ene-1-selenolN106[Se]([H])C(C(Cl)=C)ClInChI=1S/C3H4Cl2Se/c1-2(4)3(5)6/h3,6H,1H2InChIKey=RYSKTWAVFJMOEU-UHFFFAOYSA-N155.4Ex 155.40(BP est) -16.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(Cl)=C)Cl -16Pred
[SeH]C(Cl)C=CCl16030189.925C3H4Cl2Se1,3-dichloroprop-2-ene-1-selenolN106[Se]([H])C(Cl)C=CClInChI=1S/C3H4Cl2Se/c4-2-1-3(5)6/h1-3,6HInChIKey=MHQXASLCEGYRFZ-UHFFFAOYSA-N169.5Ex 169.53(BP est) -6.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C=CCl -6.6Pred
ClC(Cl)C1C[Se]116031189.925C3H4Cl2Se2-(dichloromethyl)seleniraneN106ClC(Cl)C1C[Se]1InChI=1S/C3H4Cl2Se/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=ZLLOXYOMIVKHGV-UHFFFAOYSA-N176.1Ex 176.09(BP est) 0.43(MP est) ----(BP exp) ----(MP exp) ClC(Cl)C1C[Se]1 0.4Pred
ClC1(Cl)C(C)[Se]116032189.925C3H4Cl2Se2,2-dichloro-3-methylseleniraneN106ClC1(Cl)C(C)[Se]1InChI=1S/C3H4Cl2Se/c1-2-3(4,5)6-2/h2H,1H3InChIKey=IGOJVMUVPYJUGP-UHFFFAOYSA-N148.0Ex 148.00(BP est) 9.56(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C(C)[Se]1 9.6Pred
[SeH]C1CC1(Cl)Cl16033189.925C3H4Cl2Se2,2-dichlorocyclopropane-1-selenolN106[Se]([H])C1CC1(Cl)ClInChI=1S/C3H4Cl2Se/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=ZUCHZLPVHVPKBC-UHFFFAOYSA-N152.1Ex 152.06(BP est) 17.17(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC1(Cl)Cl 17.2Pred
ClC1(Cl)[Se]CC116034189.925C3H4Cl2Se2,2-dichloroselenetaneN106ClC1(Cl)[Se]CC1InChI=1S/C3H4Cl2Se/c4-3(5)1-2-6-3/h1-2H2InChIKey=HHKSATYBOJVVIA-UHFFFAOYSA-N156.4Ex 156.38(BP est) 12.37(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)[Se]CC1 12.4Pred
ClC1C(C)(Cl)[Se]116035189.925C3H4Cl2Se2,3-dichloro-2-methylseleniraneN106ClC1C(C)(Cl)[Se]1InChI=1S/C3H4Cl2Se/c1-3(5)2(4)6-3/h2H,1H3InChIKey=BYJIVIBGVQNEFC-UHFFFAOYSA-N159.9Ex 159.92(BP est) 13.04(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(Cl)[Se]1 13Pred
[SeH]C1C(Cl)C1Cl16036189.925C3H4Cl2Se2,3-dichlorocyclopropane-1-selenolN106[Se]([H])C1C(Cl)C1ClInChI=1S/C3H4Cl2Se/c4-1-2(5)3(1)6/h1-3,6HInChIKey=QCOUEVYBAPVHSH-UHFFFAOYSA-N180.4Ex 180.42(BP est) 11.38(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Cl)C1Cl 11.4Pred
[SeH]CC(Cl)=CCl16037189.925C3H4Cl2Se2,3-dichloroprop-2-ene-1-selenolN106[Se]([H])CC(Cl)=CClInChI=1S/C3H4Cl2Se/c4-1-3(5)2-6/h1,6H,2H2InChIKey=PUYOEAROPWPFQM-UHFFFAOYSA-N163.1Ex 163.05(BP est) -7.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)=CCl -7.9Pred
ClC1[Se]CC1Cl16038189.925C3H4Cl2Se2,3-dichloroselenetaneN106ClC1[Se]CC1ClInChI=1S/C3H4Cl2Se/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=VJFIUOADIOTISJ-UHFFFAOYSA-N184.5Ex 184.50(BP est) 6.51(MP est) ----(BP exp) ----(MP exp) ClC1[Se]CC1Cl 6.5Pred
ClC1CC(Cl)[Se]116039189.925C3H4Cl2Se2,4-dichloroselenetaneN106ClC1CC(Cl)[Se]1InChI=1S/C3H4Cl2Se/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=HFBMIACUVVLUQL-UHFFFAOYSA-N184.5Ex 184.50(BP est) 6.51(MP est) ----(BP exp) ----(MP exp) ClC1CC(Cl)[Se]1 6.5Pred
ClC1(CCl)C[Se]116040189.925C3H4Cl2Se2-chloro-2-(chloromethyl)seleniraneN106ClC1(CCl)C[Se]1InChI=1S/C3H4Cl2Se/c4-1-3(5)2-6-3/h1-2H2InChIKey=JJCDYDLKMDDNLW-UHFFFAOYSA-N177.7Ex 177.70(BP est) 20.35(MP est) ----(BP exp) ----(MP exp) ClC1(CCl)C[Se]1 20.4Pred
ClC1C(CCl)[Se]116041189.925C3H4Cl2Se2-chloro-3-(chloromethyl)seleniraneN106ClC1C(CCl)[Se]1InChI=1S/C3H4Cl2Se/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=ITIBZJHPQRXAES-UHFFFAOYSA-N193.8Ex 193.77(BP est) 10.97(MP est) ----(BP exp) ----(MP exp) ClC1C(CCl)[Se]1 11Pred
[SeH]CC=C(Cl)Cl16042189.925C3H4Cl2Se3,3-dichloroprop-2-ene-1-selenolN106[Se]([H])CC=C(Cl)ClInChI=1S/C3H4Cl2Se/c4-3(5)1-2-6/h1,6H,2H2InChIKey=DMTYGAIRJNLKFZ-UHFFFAOYSA-N163.1Ex 163.05(BP est) -7.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(Cl)Cl -7.9Pred
ClC1(Cl)C[Se]C116043189.925C3H4Cl2Se3,3-dichloroselenetaneN106ClC1(Cl)C[Se]C1InChI=1S/C3H4Cl2Se/c4-3(5)1-6-2-3/h1-2H2InChIKey=ZTDMDSWWMLDFJK-UHFFFAOYSA-N156.4Ex 156.38(BP est) 12.37(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C[Se]C1 12.4Pred
C[Se][Se][Se]CF16044284.94C2H5FSe31-(fluoromethyl)-3-methyltriselaneN116C[Se][Se][Se]CFInChI=1S/C2H5FSe3/c1-4-6-5-2-3/h2H2,1H3InChIKey=YIEDSSPWLVNETI-UHFFFAOYSA-N234.2Ex 234.18(BP est) 48.49(MP est) ----(BP exp) ----(MP exp) C[Se][Se][Se]CF 48.5Pred
[SeH]C(Br)F16045191.889CH2BrFSebromofluoromethaneselenolN64[Se]([H])C(Br)FInChI=1S/CH2BrFSe/c2-1(3)4/h1,4HInChIKey=XUQYLZGZGKFYJG-UHFFFAOYSA-N111.2Ex 111.22(BP est) -32.05(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)F -32.1Pred
C[Se]C(Cl)(Cl)C16046191.941C3H6Cl2Se(1,1-dichloroethyl)(methyl)selaneN126C[Se]C(Cl)(Cl)CInChI=1S/C3H6Cl2Se/c1-3(4,5)6-2/h1-2H3InChIKey=SDDAJCMATBKGQJ-UHFFFAOYSA-N142.2Ex 142.21(BP est) -11.48(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)(Cl)C -11.5Pred
C[Se]C(Cl)CCl16047191.941C3H6Cl2Se(1,2-dichloroethyl)(methyl)selaneN126C[Se]C(Cl)CClInChI=1S/C3H6Cl2Se/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=DLJQDTBTJUIQOM-UHFFFAOYSA-N185.8Ex 185.79(BP est) -7.46(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)CCl -7.5Pred
ClC[Se]C(Cl)C16048191.941C3H6Cl2Se(1-chloroethyl)(chloromethyl)selaneN126ClC[Se]C(Cl)CInChI=1S/C3H6Cl2Se/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=YEWWRZLTTASEJZ-UHFFFAOYSA-N185.8Ex 185.79(BP est) -7.46(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Cl)C -7.5Pred
C[Se]CC(Cl)Cl16049191.941C3H6Cl2Se(2,2-dichloroethyl)(methyl)selaneN126C[Se]CC(Cl)ClInChI=1S/C3H6Cl2Se/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=UFLHDTJKWWLKMD-UHFFFAOYSA-N174.4Ex 174.44(BP est) -10.78(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Cl)Cl -10.8Pred
ClC[Se]CCCl16050191.941C3H6Cl2Se(2-chloroethyl)(chloromethyl)selaneN126ClC[Se]CCClInChI=1S/C3H6Cl2Se/c4-1-2-6-3-5/h1-3H2InChIKey=HXPOCSPHWVYDHJ-UHFFFAOYSA-N208.8Ex 208.80(BP est) 6.75(MP est) ----(BP exp) ----(MP exp) ClC[Se]CCCl 6.8Pred
ClC([Se]CC)Cl16051191.941C3H6Cl2Se(dichloromethyl)(ethyl)selaneN126ClC([Se]CC)ClInChI=1S/C3H6Cl2Se/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=LHNLYSDPQBGGQN-UHFFFAOYSA-N174.4Ex 174.44(BP est) -10.78(MP est) ----(BP exp) ----(MP exp) ClC([Se]CC)Cl -10.8Pred
[SeH]C(Cl)(Cl)CC16052191.941C3H6Cl2Se1,1-dichloropropane-1-selenolN126[Se]([H])C(Cl)(Cl)CCInChI=1S/C3H6Cl2Se/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=CNZSIZBOUFZSFQ-UHFFFAOYSA-N144.3Ex 144.28(BP est) -2.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(Cl)CC -2.7Pred
[SeH]C(C(Cl)Cl)C16053191.941C3H6Cl2Se1,1-dichloropropane-2-selenolN126[Se]([H])C(C(Cl)Cl)CInChI=1S/C3H6Cl2Se/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=ZQTJOHMTDFVDNL-UHFFFAOYSA-N163.6Ex 163.59(BP est) -13.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(Cl)Cl)C -13.3Pred
[SeH]C(C(C)Cl)Cl16054191.941C3H6Cl2Se1,2-dichloropropane-1-selenolN126[Se]([H])C(C(C)Cl)ClInChI=1S/C3H6Cl2Se/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=MHDSGQYGIUVTCB-UHFFFAOYSA-N163.6Ex 163.59(BP est) -13.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(C)Cl)Cl -13.3Pred
[SeH]C(Cl)(C)CCl16055191.941C3H6Cl2Se1,2-dichloropropane-2-selenolN126[Se]([H])C(Cl)(C)CClInChI=1S/C3H6Cl2Se/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=IZLJOMYVVVPHOC-UHFFFAOYSA-N168.0Ex 168.04(BP est) 4.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(C)CCl 4.3Pred
[SeH]C(Cl)CCCl16056191.941C3H6Cl2Se1,3-dichloropropane-1-selenolN126[Se]([H])C(Cl)CCClInChI=1S/C3H6Cl2Se/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=OQIKTPSEAQIYST-UHFFFAOYSA-N187.7Ex 187.69(BP est) 1.27(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)CCCl 1.3Pred
[SeH]C(CCl)CCl16057191.941C3H6Cl2Se1,3-dichloropropane-2-selenolN126[Se]([H])C(CCl)CClInChI=1S/C3H6Cl2Se/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=DPASOSCBXWYNHJ-UHFFFAOYSA-N198.7Ex 198.72(BP est) 4.50(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)CCl 4.5Pred
[SeH]CC(Cl)(Cl)C16058191.941C3H6Cl2Se2,2-dichloropropane-1-selenolN126[Se]([H])CC(Cl)(Cl)CInChI=1S/C3H6Cl2Se/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=YSMLPXALSXISHE-UHFFFAOYSA-N144.3Ex 144.28(BP est) -2.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)(Cl)C -2.7Pred
[SeH]CC(Cl)CCl16059191.941C3H6Cl2Se2,3-dichloropropane-1-selenolN126[Se]([H])CC(Cl)CClInChI=1S/C3H6Cl2Se/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=BDEJJSMOLNJEHL-UHFFFAOYSA-N187.7Ex 187.69(BP est) 1.27(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)CCl 1.3Pred
[SeH]CCC(Cl)Cl16060191.941C3H6Cl2Se3,3-dichloropropane-1-selenolN126[Se]([H])CCC(Cl)ClInChI=1S/C3H6Cl2Se/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=BFHGHECCYYIRSO-UHFFFAOYSA-N176.4Ex 176.39(BP est) -2.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Cl)Cl -2Pred
CC1=CC=C[Se]116061145.063C5H6Se2-methylselenopheneN126CC1=CC=C[Se]1InChI=1S/C5H6Se/c1-5-3-2-4-6-5/h2-4H,1H3InChIKey=RXEIUHSMORSJCK-UHFFFAOYSA-N136.1Ex 158.06(BP est) -10.36(MP est) ----(BP exp) ----(MP exp) CC1=CC=C[Se]1 -10.4Pred
CC1=C[Se]C=C116062145.063C5H6Se3-methylselenopheneN126CC1=C[Se]C=C1InChI=1S/C5H6Se/c1-5-2-3-6-4-5/h2-4H,1H3InChIKey=AZBHGKRVIRJVQG-UHFFFAOYSA-N136.8Ex 158.06(BP est) -10.36(MP est) ----(BP exp) ----(MP exp) CC1=C[Se]C=C1 -10.4Pred
C1=CCC=C[Se]116063145.063C5H6Se4H-selenopyranN126C1=CCC=C[Se]1InChI=1S/C5H6Se/c1-2-4-6-5-3-1/h2-5H,1H2InChIKey=KMDRTMGEOUIDDZ-UHFFFAOYSA-N158.3Ex 158.27(BP est) -18.32(MP est) ----(BP exp) ----(MP exp) C1=CCC=C[Se]1 -18.3Pred
C[Se]C#CC=C16064145.063C5H6Sebut-3-en-1-yn-1-yl(methyl)selaneN126C[Se]C#CC=CInChI=1S/C5H6Se/c1-3-4-5-6-2/h3H,1H2,2H3InChIKey=AKNUXMVZEJWUQV-UHFFFAOYSA-N152.7Ex 152.67(BP est) 23.89(MP est) ----(BP exp) ----(MP exp) C[Se]C#CC=C 23.9Pred
C[Se][Se]C(Cl)F16065240.422C2H4ClFSe21-(chlorofluoromethyl)-2-methyldiselaneN106C[Se][Se]C(Cl)FInChI=1S/C2H4ClFSe2/c1-5-6-2(3)4/h2H,1H3InChIKey=WCPLZJHZDUWURX-UHFFFAOYSA-N190.3Ex 190.30(BP est) 21.05(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(Cl)F 21.1Pred
ClC[Se][Se]CF16066240.422C2H4ClFSe21-(chloromethyl)-2-(fluoromethyl)diselaneN106ClC[Se][Se]CFInChI=1S/C2H4ClFSe2/c3-1-5-6-2-4/h1-2H2InChIKey=HQFXXDBJYJXYHN-UHFFFAOYSA-N213.1Ex 213.08(BP est) 27.05(MP est) ----(BP exp) ----(MP exp) ClC[Se][Se]CF 27.1Pred
FC1C(Cl)(Cl)[Se]116067193.888C2HCl2FSe2,2-dichloro-3-fluoroseleniraneN76FC1C(Cl)(Cl)[Se]1InChI=1S/C2HCl2FSe/c3-2(4)1(5)6-2/h1HInChIKey=OOOFLECAXDNVRC-UHFFFAOYSA-N127.7Ex 127.65(BP est) -1.72(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(Cl)[Se]1 -1.7Pred
ClC1C(F)(Cl)[Se]116068193.888C2HCl2FSe2,3-dichloro-2-fluoroseleniraneN76ClC1C(F)(Cl)[Se]1InChI=1S/C2HCl2FSe/c3-1-2(4,5)6-1/h1HInChIKey=GLFPKNUEQXKKOV-UHFFFAOYSA-N140.0Ex 140.01(BP est) 1.89(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(Cl)[Se]1 1.9Pred
C=C[Se]CC=C16069147.079C5H8Seallyl(vinyl)selaneN146C=C[Se]CC=CInChI=1S/C5H8Se/c1-3-5-6-4-2/h3-4H,1-2,5H2InChIKey=GNNZIQCLFAWRKO-UHFFFAOYSA-N134.8Ex 134.84(BP est) -35.25(MP est) ----(BP exp) ----(MP exp) C=C[Se]CC=C -35.3Pred
C=CC=C[Se]C16070147.079C5H8Sebuta-1,3-dien-1-yl(methyl)selaneN146C=CC=C[Se]CInChI=1S/C5H8Se/c1-3-4-5-6-2/h3-5H,1H2,2H3InChIKey=AYEYOYFUCFVDCM-UHFFFAOYSA-N143.5Ex 143.46(BP est) -34.39(MP est) ----(BP exp) ----(MP exp) C=CC=C[Se]C -34.4Pred
ClC[Se]C(Cl)F16075195.904C2H3Cl2FSe(chlorofluoromethyl)(chloromethyl)selaneN96ClC[Se]C(Cl)FInChI=1S/C2H3Cl2FSe/c3-1-6-2(4)5/h2H,1H2InChIKey=PFMJOQVMLKVGDO-UHFFFAOYSA-N166.9Ex 166.89(BP est) -18.32(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Cl)F -18.3Pred
C[Se]C(F)(Cl)Cl16076195.904C2H3Cl2FSe(dichlorofluoromethyl)(methyl)selaneN96C[Se]C(F)(Cl)ClInChI=1S/C2H3Cl2FSe/c1-6-2(3,4)5/h1H3InChIKey=OJOUTJCBPBJQAN-UHFFFAOYSA-N121.7Ex 121.65(BP est) -22.82(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)(Cl)Cl -22.8Pred
FC[Se]C(Cl)Cl16077195.904C2H3Cl2FSe(dichloromethyl)(fluoromethyl)selaneN96FC[Se]C(Cl)ClInChI=1S/C2H3Cl2FSe/c3-2(4)6-1-5/h2H,1H2InChIKey=DKCFAKVQMACRGF-UHFFFAOYSA-N155.1Ex 155.09(BP est) -21.77(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Cl)Cl -21.8Pred
[SeH]C(CF)(Cl)Cl16078195.904C2H3Cl2FSe1,1-dichloro-2-fluoroethane-1-selenolN96[Se]([H])C(CF)(Cl)ClInChI=1S/C2H3Cl2FSe/c3-2(4,6)1-5/h6H,1H2InChIKey=XGBCKOWEEDUEGY-UHFFFAOYSA-N123.8Ex 123.79(BP est) -14.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Cl)Cl -14Pred
[SeH]C(CCl)(Cl)F16079195.904C2H3Cl2FSe1,2-dichloro-1-fluoroethane-1-selenolN96[Se]([H])C(CCl)(Cl)FInChI=1S/C2H3Cl2FSe/c3-1-2(4,5)6/h6H,1H2InChIKey=YZMARRMARMFZRY-UHFFFAOYSA-N148.5Ex 148.45(BP est) -6.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(Cl)F -6.8Pred
[SeH]C(Cl)C(Cl)F16080195.904C2H3Cl2FSe1,2-dichloro-2-fluoroethane-1-selenolN96[Se]([H])C(Cl)C(Cl)FInChI=1S/C2H3Cl2FSe/c3-1(5)2(4)6/h1-2,6HInChIKey=DGNFJOGTPBBLOU-UHFFFAOYSA-N143.8Ex 143.82(BP est) -24.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(Cl)F -24.4Pred
[SeH]C(F)C(Cl)Cl16081195.904C2H3Cl2FSe2,2-dichloro-1-fluoroethane-1-selenolN96[Se]([H])C(F)C(Cl)ClInChI=1S/C2H3Cl2FSe/c3-1(4)2(5)6/h1-2,6HInChIKey=FWRJKDJPDOYRIP-UHFFFAOYSA-N143.8Ex 143.82(BP est) -24.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Cl)Cl -24.4Pred
[SeH]CC(F)(Cl)Cl16082195.904C2H3Cl2FSe2,2-dichloro-2-fluoroethane-1-selenolN96[Se]([H])CC(F)(Cl)ClInChI=1S/C2H3Cl2FSe/c3-2(4,5)1-6/h6H,1H2InChIKey=UMIPZZZZPUCICP-UHFFFAOYSA-N123.8Ex 123.79(BP est) -14.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)(Cl)Cl -14Pred
[SeH]C(C#C)Br16088197.921C3H3BrSe1-bromoprop-2-yne-1-selenolN85[Se]([H])C(C#C)BrInChI=1S/C3H3BrSe/c1-2-3(4)5/h1,3,5HInChIKey=OTUGMYYQCMIRIE-UHFFFAOYSA-N162.1Ex 162.10(BP est) 17.27(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)Br 17.3Pred
[SeH]CC#CBr16089197.921C3H3BrSe3-bromoprop-2-yne-1-selenolN85[Se]([H])CC#CBrInChI=1S/C3H3BrSe/c4-2-1-3-5/h5H,3H2InChIKey=NXRSTSLNYOVIIP-UHFFFAOYSA-N182.7Ex 182.71(BP est) 26.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC#CBr 26.7Pred
N=C([SeH])N(C)C16091151.071C3H8N2SeN,N-dimethylcarbamimidoselenoic acidN146N=C([Se]([H]))N(C)CInChI=1S/C3H8N2Se/c1-5(2)3(4)6/h1-2H3,(H2,4,6)InChIKey=NRTHBQJARHPPAU-UHFFFAOYSA-N182.9Ex 182.92(BP est) 28.09(MP est) ----(BP exp) ----(MP exp) N=C([Se]([H]))N(C)C 28.1Pred
[SeH]C(Cl)(Cl)Cl16092198.329CHCl3SetrichloromethaneselenolN65[Se]([H])C(Cl)(Cl)ClInChI=1S/CHCl3Se/c2-1(3,4)5/h5HInChIKey=JZBXOAQDGYZKQD-UHFFFAOYSA-N135.0Ex 135.02(BP est) -1.70(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(Cl)Cl -1.7Pred
C[Se]C(Br)=C16094199.937C3H5BrSe(1-bromovinyl)(methyl)selaneN105C[Se]C(Br)=CInChI=1S/C3H5BrSe/c1-3(4)5-2/h1H2,2H3InChIKey=ICWIRDXFLWYSEY-UHFFFAOYSA-N158.0Ex 158.02(BP est) -15.95(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)=C -16Pred
C[Se]C=CBr16095199.937C3H5BrSe(2-bromovinyl)(methyl)selaneN105C[Se]C=CBrInChI=1S/C3H5BrSe/c1-5-3-2-4/h2-3H,1H3InChIKey=HNMVPZBFHNZCOR-UHFFFAOYSA-N172.1Ex 172.07(BP est) -6.53(MP est) ----(BP exp) ----(MP exp) C[Se]C=CBr -6.5Pred
BrC[Se]C=C16096199.937C3H5BrSe(bromomethyl)(vinyl)selaneN105BrC[Se]C=CInChI=1S/C3H5BrSe/c1-2-5-3-4/h2H,1,3H2InChIKey=MHZXXWXBNWBEGS-UHFFFAOYSA-N163.9Ex 163.92(BP est) -7.25(MP est) ----(BP exp) ----(MP exp) BrC[Se]C=C -7.3Pred
[SeH]C1(Br)CC116097199.937C3H5BrSe1-bromocyclopropane-1-selenolN105[Se]([H])C1(Br)CC1InChI=1S/C3H5BrSe/c4-3(5)1-2-3/h5H,1-2H2InChIKey=CWBXMSMZGHZQFJ-UHFFFAOYSA-N159.8Ex 159.81(BP est) 21.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Br)CC1 21.5Pred
[SeH]C(C=C)Br16098199.937C3H5BrSe1-bromoprop-2-ene-1-selenolN105[Se]([H])C(C=C)BrInChI=1S/C3H5BrSe/c1-2-3(4)5/h2-3,5H,1H2InChIKey=BQOCQZBJVIWBNS-UHFFFAOYSA-N152.8Ex 152.83(BP est) -9.80(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)Br -9.8Pred
BrCC1C[Se]116099199.937C3H5BrSe2-(bromomethyl)seleniraneN105BrCC1C[Se]1InChI=1S/C3H5BrSe/c4-1-3-2-5-3/h3H,1-2H2InChIKey=NEYBBWIQFFFPLH-UHFFFAOYSA-N167.2Ex 167.20(BP est) 5.32(MP est) ----(BP exp) ----(MP exp) BrCC1C[Se]1 5.3Pred
BrC1(C)C[Se]116100199.937C3H5BrSe2-bromo-2-methylseleniraneN105BrC1(C)C[Se]1InChI=1S/C3H5BrSe/c1-3(4)2-5-3/h2H2,1H3InChIKey=RRHYGZPPAUUOGO-UHFFFAOYSA-N155.8Ex 155.81(BP est) 13.94(MP est) ----(BP exp) ----(MP exp) BrC1(C)C[Se]1 13.9Pred
BrC1C(C)[Se]116101199.937C3H5BrSe2-bromo-3-methylseleniraneN105BrC1C(C)[Se]1InChI=1S/C3H5BrSe/c1-2-3(4)5-2/h2-3H,1H3InChIKey=AGZIYBFSQXATSV-UHFFFAOYSA-N161.0Ex 160.97(BP est) 1.38(MP est) ----(BP exp) ----(MP exp) BrC1C(C)[Se]1 1.4Pred
[SeH]C1CC1Br16102199.937C3H5BrSe2-bromocyclopropane-1-selenolN105[Se]([H])C1CC1BrInChI=1S/C3H5BrSe/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=VTLYOUZFWRXRMV-UHFFFAOYSA-N164.9Ex 164.94(BP est) 8.96(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC1Br 9Pred
[SeH]CC(Br)=C16103199.937C3H5BrSe2-bromoprop-2-ene-1-selenolN105[Se]([H])CC(Br)=CInChI=1S/C3H5BrSe/c1-3(4)2-5/h5H,1-2H2InChIKey=ABUOCJZXDYZPFW-UHFFFAOYSA-N160.0Ex 160.03(BP est) -7.18(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)=C -7.2Pred
BrC1[Se]CC116104199.937C3H5BrSe2-bromoselenetaneN105BrC1[Se]CC1InChI=1S/C3H5BrSe/c4-3-1-2-5-3/h3H,1-2H2InChIKey=BDXXVLYUENYNKP-UHFFFAOYSA-N169.2Ex 169.15(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) BrC1[Se]CC1 4.1Pred
[SeH]CC=CBr16105199.937C3H5BrSe3-bromoprop-2-ene-1-selenolN105[Se]([H])CC=CBrInChI=1S/C3H5BrSe/c4-2-1-3-5/h1-2,5H,3H2InChIKey=FFVVQCUAKLFIME-UHFFFAOYSA-N174.0Ex 174.03(BP est) 2.23(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=CBr 2.2Pred
BrC1C[Se]C116106199.937C3H5BrSe3-bromoselenetaneN105BrC1C[Se]C1InChI=1S/C3H5BrSe/c4-3-1-5-2-3/h3H,1-2H2InChIKey=FUGIBCUKUXBXJB-UHFFFAOYSA-N169.2Ex 169.15(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) BrC1C[Se]C1 4.1Pred
O=[Se]1OCCC116107153.039C3H6O2Se1,2-oxaselenolane 2-oxideN126O=[Se]1OCCC1InChI=1S/C3H6O2Se/c4-6-3-1-2-5-6/h1-3H2InChIKey=OSFARYOVMRHDRZ-UHFFFAOYSA-N124.3Ex 124.26(BP est) -24.19(MP est) ----(BP exp) ----(MP exp) O=[Se]1OCCC1 -24.2Pred
C[Se]C(C)Br16110201.953C3H7BrSe(1-bromoethyl)(methyl)selaneN125C[Se]C(C)BrInChI=1S/C3H7BrSe/c1-3(4)5-2/h3H,1-2H3InChIKey=XKLJQUWFAGHNHO-UHFFFAOYSA-N152.4Ex 152.44(BP est) -17.22(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)Br -17.2Pred
C[Se]CCBr16111201.953C3H7BrSe(2-bromoethyl)(methyl)selaneN125C[Se]CCBrInChI=1S/C3H7BrSe/c1-5-3-2-4/h2-3H2,1H3InChIKey=MRFOLADVNNOXTR-UHFFFAOYSA-N165.5Ex 165.52(BP est) -5.90(MP est) ----(BP exp) ----(MP exp) C[Se]CCBr -5.9Pred
BrC[Se]CC16112201.953C3H7BrSe(bromomethyl)(ethyl)selaneN125BrC[Se]CCInChI=1S/C3H7BrSe/c1-2-5-3-4/h2-3H2,1H3InChIKey=XFAQLXKVQPRKGV-UHFFFAOYSA-N165.5Ex 165.52(BP est) -5.90(MP est) ----(BP exp) ----(MP exp) BrC[Se]CC -5.9Pred
[SeH]C(CC)Br16113201.953C3H7BrSe1-bromopropane-1-selenolN125[Se]([H])C(CC)BrInChI=1S/C3H7BrSe/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=XZDAOTQYFLYWFV-UHFFFAOYSA-N154.5Ex 154.47(BP est) -8.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)Br -8.4Pred
[SeH]C(CBr)C16114201.953C3H7BrSe1-bromopropane-2-selenolN125[Se]([H])C(CBr)CInChI=1S/C3H7BrSe/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=UQBMCTMPLPZSFL-UHFFFAOYSA-N154.5Ex 154.47(BP est) -8.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)C -8.4Pred
[SeH]CC(C)Br16115201.953C3H7BrSe2-bromopropane-1-selenolN125[Se]([H])CC(C)BrInChI=1S/C3H7BrSe/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=BOONHYTWLSEJLK-UHFFFAOYSA-N154.5Ex 154.47(BP est) -8.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)Br -8.4Pred
[SeH]C(Br)(C)C16116201.953C3H7BrSe2-bromopropane-2-selenolN125[Se]([H])C(Br)(C)CInChI=1S/C3H7BrSe/c1-3(2,4)5/h5H,1-2H3InChIKey=XWTGJSAQUPMBOB-UHFFFAOYSA-N145.7Ex 145.73(BP est) -2.29(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)(C)C -2.3Pred
[SeH]CCCBr16117201.953C3H7BrSe3-bromopropane-1-selenolN125[Se]([H])CCCBrInChI=1S/C3H7BrSe/c4-2-1-3-5/h5H,1-3H2InChIKey=NPSHQKUDIYTKBW-UHFFFAOYSA-N167.5Ex 167.50(BP est) 2.86(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCBr 2.9Pred
[Se]1[Se][Se]C[Se]C116118343.894C2H4Se41,2,3,5-tetraselenaneN106[Se]1[Se][Se]C[Se]C1InChI=1S/C2H4Se4/c1-3-2-5-6-4-1/h1-2H2InChIKey=MEGRHRKIVCNIBW-UHFFFAOYSA-N301.2Ex 301.17(BP est) 107.85(MP est) ----(BP exp) ----(MP exp) [Se]1[Se][Se]C[Se]C1 107.9Pred
[Se]1[Se]C[Se][Se]C116119343.894C2H4Se41,2,4,5-tetraselenaneN106[Se]1[Se]C[Se][Se]C1InChI=1S/C2H4Se4/c1-3-5-2-6-4-1/h1-2H2InChIKey=BZUGXIBBVMBDOE-UHFFFAOYSA-N301.2Ex 301.17(BP est) 107.85(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]C[Se][Se]C1 107.9Pred
BrC1(F)C[Se]116120203.9C2H2BrFSe2-bromo-2-fluoroseleniraneN75BrC1(F)C[Se]1InChI=1S/C2H2BrFSe/c3-2(4)1-5-2/h1H2InChIKey=PEMWYKBOYSYOJN-UHFFFAOYSA-N135.8Ex 135.75(BP est) 2.75(MP est) ----(BP exp) ----(MP exp) BrC1(F)C[Se]1 2.8Pred
BrC1C(F)[Se]116121203.9C2H2BrFSe2-bromo-3-fluoroseleniraneN75BrC1C(F)[Se]1InChI=1S/C2H2BrFSe/c3-1-2(4)5-1/h1-2HInChIKey=HHYWFZBYDNHWBQ-UHFFFAOYSA-N141.1Ex 141.11(BP est) -9.76(MP est) ----(BP exp) ----(MP exp) BrC1C(F)[Se]1 -9.8Pred
C[Se]C(Br)F16123205.916C2H4BrFSe(bromofluoromethyl)(methyl)selaneN95C[Se]C(Br)FInChI=1S/C2H4BrFSe/c1-5-2(3)4/h2H,1H3InChIKey=AMBPOURAARIMJD-UHFFFAOYSA-N132.3Ex 132.26(BP est) -28.45(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)F -28.5Pred
BrC[Se]CF16124205.916C2H4BrFSe(bromomethyl)(fluoromethyl)selaneN95BrC[Se]CFInChI=1S/C2H4BrFSe/c3-1-5-2-4/h1-2H2InChIKey=JMMYGXSOYXJGLA-UHFFFAOYSA-N145.8Ex 145.83(BP est) -16.99(MP est) ----(BP exp) ----(MP exp) BrC[Se]CF -17Pred
[SeH]C(C)(Br)F16125205.916C2H4BrFSe1-bromo-1-fluoroethane-1-selenolN95[Se]([H])C(C)(Br)FInChI=1S/C2H4BrFSe/c1-2(3,4)5/h5H,1H3InChIKey=GDDBDODVIYNRTD-UHFFFAOYSA-N125.3Ex 125.30(BP est) -13.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(Br)F -13.6Pred
[SeH]C(Br)CF16126205.916C2H4BrFSe1-bromo-2-fluoroethane-1-selenolN95[Se]([H])C(Br)CFInChI=1S/C2H4BrFSe/c3-2(5)1-4/h2,5H,1H2InChIKey=LTHRYJKULFRNGF-UHFFFAOYSA-N134.4Ex 134.36(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CF -19.7Pred
[SeH]C(F)CBr16127205.916C2H4BrFSe2-bromo-1-fluoroethane-1-selenolN95[Se]([H])C(F)CBrInChI=1S/C2H4BrFSe/c3-1-2(4)5/h2,5H,1H2InChIKey=CLOIVZWIFBXGFB-UHFFFAOYSA-N134.4Ex 134.36(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CBr -19.7Pred
[SeH]CC(Br)F16128205.916C2H4BrFSe2-bromo-2-fluoroethane-1-selenolN95[Se]([H])CC(Br)FInChI=1S/C2H4BrFSe/c3-2(4)1-5/h2,5H,1H2InChIKey=JFHUAZUNJIIPNN-UHFFFAOYSA-N134.4Ex 134.36(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)F -19.7Pred
[Se]=P(S)(OC)S16129207.104CH5OPS2SeO-methyl S,S-dihydrogen phosphoroselenodithioateN116[Se]=P(S)(OC)SInChI=1S/CH5OPS2Se/c1-2-3(4,5)6/h1H3,(H2,4,5,6)InChIKey=ZWXQJPLDVHFIDL-UHFFFAOYSA-N251.8Ex 251.77(BP est) 32.50(MP est) ----(BP exp) ----(MP exp) [Se]=P(S)(OC)S 32.5Pred
C[Se][Se][Se]CCl16130301.392C2H5ClSe31-(chloromethyl)-3-methyltriselaneN116C[Se][Se][Se]CClInChI=1S/C2H5ClSe3/c1-4-6-5-2-3/h2H2,1H3InChIKey=VIWQYQVEEGKXRT-UHFFFAOYSA-N278.4Ex 278.38(BP est) 75.18(MP est) ----(BP exp) ----(MP exp) C[Se][Se][Se]CCl 75.2Pred
[SeH]C(Cl)Br16131208.341CH2BrClSebromochloromethaneselenolN64[Se]([H])C(Cl)BrInChI=1S/CH2BrClSe/c2-1(3)4/h1,4HInChIKey=JCFMVSLFERTIQB-UHFFFAOYSA-N157.4Ex 157.36(BP est) -3.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)Br -3.9Pred
CP(F)(F)=[Se]16132162.966CH3F2PSemethylphosphonoselenoic difluorideN85CP(F)(F)=[Se]InChI=1S/CH3F2PSe/c1-4(2,3)5/h1H3InChIKey=DNMXKLZPWIFLKX-UHFFFAOYSA-N89.1Ex 89.12(BP est) -61.97(MP est) ----(BP exp) ----(MP exp) CP(F)(F)=[Se] -62Pred
[SeH]C(F)(Br)F16133209.88CHBrF2SebromodifluoromethaneselenolN65[Se]([H])C(F)(Br)FInChI=1S/CHBrF2Se/c2-1(3,4)5/h5HInChIKey=JHZHGZRNRYKOON-UHFFFAOYSA-N104.1Ex 104.13(BP est) -25.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)(Br)F -25.1Pred
BrC#CC1C[Se]116135209.932C4H3BrSe2-(bromoethynyl)seleniraneN96BrC#CC1C[Se]1InChI=1S/C4H3BrSe/c5-2-1-4-3-6-4/h4H,3H2InChIKey=ZVQGMFPIWUIVIH-UHFFFAOYSA-N202.7Ex 202.66(BP est) 39.51(MP est) ----(BP exp) ----(MP exp) BrC#CC1C[Se]1 39.5Pred
BrC1(C#C)C[Se]116136209.932C4H3BrSe2-bromo-2-ethynylseleniraneN96BrC1(C#C)C[Se]1InChI=1S/C4H3BrSe/c1-2-4(5)3-6-4/h1H,3H2InChIKey=XJHRTDPJWIPGIP-UHFFFAOYSA-N184.5Ex 184.47(BP est) 22.74(MP est) ----(BP exp) ----(MP exp) BrC1(C#C)C[Se]1 22.7Pred
BrC1C(C#C)[Se]116137209.932C4H3BrSe2-bromo-3-ethynylseleniraneN96BrC1C(C#C)[Se]1InChI=1S/C4H3BrSe/c1-2-3-4(5)6-3/h1,3-4HInChIKey=GXBLGXBSGXSZQU-UHFFFAOYSA-N189.3Ex 189.34(BP est) 17.84(MP est) ----(BP exp) ----(MP exp) BrC1C(C#C)[Se]1 17.8Pred
C[Se][Se]C(Cl)Cl16138256.874C2H4Cl2Se21-(dichloromethyl)-2-methyldiselaneN106C[Se][Se]C(Cl)ClInChI=1S/C2H4Cl2Se2/c1-5-6-2(3)4/h2H,1H3InChIKey=LHUOCUKVXSOVJL-UHFFFAOYSA-N229.8Ex 229.83(BP est) 38.35(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(Cl)Cl 38.4Pred
ClC[Se][Se]CCl16139256.874C2H4Cl2Se21,2-bis(chloromethyl)diselaneN106ClC[Se][Se]CClInChI=1S/C2H4Cl2Se2/c3-1-5-6-2-4/h1-2H2InChIKey=BUUWEPVLDVFJJN-UHFFFAOYSA-N259.9Ex 259.89(BP est) 55.05(MP est) ----(BP exp) ----(MP exp) ClC[Se][Se]CCl 55.1Pred
ClC1C(Cl)(Cl)[Se]116140210.34C2HCl3Se2,2,3-trichloroseleniraneN76ClC1C(Cl)(Cl)[Se]1InChI=1S/C2HCl3Se/c3-1-2(4,5)6-1/h1HInChIKey=KPTOBWPIBSAXPM-UHFFFAOYSA-N172.5Ex 172.50(BP est) 26.04(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(Cl)[Se]1 26Pred
C[Se]C(Br)C#C16141211.948C4H5BrSe(1-bromoprop-2-yn-1-yl)(methyl)selaneN116C[Se]C(Br)C#CInChI=1S/C4H5BrSe/c1-3-4(5)6-2/h1,4H,2H3InChIKey=DWOJBBUTFDYRFB-UHFFFAOYSA-N181.3Ex 181.29(BP est) 20.32(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)C#C 20.3Pred
C=C[Se]C(Br)=C16142211.948C4H5BrSe(1-bromovinyl)(vinyl)selaneN116C=C[Se]C(Br)=CInChI=1S/C4H5BrSe/c1-3-6-4(2)5/h3H,1-2H2InChIKey=GJGCMVSDOWPRED-UHFFFAOYSA-N177.7Ex 177.74(BP est) -5.44(MP est) ----(BP exp) ----(MP exp) C=C[Se]C(Br)=C -5.4Pred
C=C[Se]C=CBr16143211.948C4H5BrSe(2-bromovinyl)(vinyl)selaneN116C=C[Se]C=CBrInChI=1S/C4H5BrSe/c1-2-6-4-3-5/h2-4H,1H2InChIKey=RWFDGPVNTDDANG-UHFFFAOYSA-N191.3Ex 191.25(BP est) 3.82(MP est) ----(BP exp) ----(MP exp) C=C[Se]C=CBr 3.8Pred
BrCC#C[Se]C16144211.948C4H5BrSe(3-bromoprop-1-yn-1-yl)(methyl)selaneN116BrCC#C[Se]CInChI=1S/C4H5BrSe/c1-6-4-2-3-5/h3H2,1H3InChIKey=UGYZEZQHGWJLLD-UHFFFAOYSA-N201.1Ex 201.11(BP est) 33.47(MP est) ----(BP exp) ----(MP exp) BrCC#C[Se]C 33.5Pred
C[Se]CC#CBr16145211.948C4H5BrSe(3-bromoprop-2-yn-1-yl)(methyl)selaneN116C[Se]CC#CBrInChI=1S/C4H5BrSe/c1-6-4-2-3-5/h4H2,1H3InChIKey=WWXSNLHIYFQKBO-UHFFFAOYSA-N201.1Ex 201.11(BP est) 33.47(MP est) ----(BP exp) ----(MP exp) C[Se]CC#CBr 33.5Pred
CC#C[Se]CBr16146211.948C4H5BrSe(bromomethyl)(prop-1-yn-1-yl)selaneN116CC#C[Se]CBrInChI=1S/C4H5BrSe/c1-2-3-6-4-5/h4H2,1H3InChIKey=LUCYNGHBUWKCJD-UHFFFAOYSA-N201.1Ex 201.11(BP est) 33.47(MP est) ----(BP exp) ----(MP exp) CC#C[Se]CBr 33.5Pred
BrC[Se]CC#C16147211.948C4H5BrSe(bromomethyl)(prop-2-yn-1-yl)selaneN116BrC[Se]CC#CInChI=1S/C4H5BrSe/c1-2-3-6-4-5/h1H,3-4H2InChIKey=AQUCBBFOMJSLEN-UHFFFAOYSA-N193.6Ex 193.63(BP est) 20.75(MP est) ----(BP exp) ----(MP exp) BrC[Se]CC#C 20.8Pred
BrC1([Se]2)C2CC116148211.948C4H5BrSe1-bromo-5-selenabicyclo[2.1.0]pentaneN116BrC1([Se]2)C2CC1InChI=1S/C4H5BrSe/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=XBKMDWPBSOUDPB-UHFFFAOYSA-N178.8Ex 178.82(BP est) 13.89(MP est) ----(BP exp) ----(MP exp) BrC1([Se]2)C2CC1 13.9Pred
[SeH]C(Br)CC#C16149211.948C4H5BrSe1-bromobut-3-yne-1-selenolN116[Se]([H])C(Br)CC#CInChI=1S/C4H5BrSe/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=ZWFQDXJTLSZTSG-UHFFFAOYSA-N183.2Ex 183.21(BP est) 29.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CC#C 29.1Pred
[SeH]C(CBr)C#C16150211.948C4H5BrSe1-bromobut-3-yne-2-selenolN116[Se]([H])C(CBr)C#CInChI=1S/C4H5BrSe/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=ONUHXLCRDWJISN-UHFFFAOYSA-N183.2Ex 183.21(BP est) 29.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)C#C 29.1Pred
[SeH]C1(Br)C=CC116151211.948C4H5BrSe1-bromocyclobut-2-ene-1-selenolN116[Se]([H])C1(Br)C=CC1InChI=1S/C4H5BrSe/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=RMJWYEDRDCRFLK-UHFFFAOYSA-N185.6Ex 185.62(BP est) 20.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Br)C=CC1 20.5Pred
BrC(C1C[Se]1)=C16152211.948C4H5BrSe2-(1-bromovinyl)seleniraneN116BrC(C1C[Se]1)=CInChI=1S/C4H5BrSe/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=MVNYUOJFTHMNMU-UHFFFAOYSA-N180.9Ex 180.93(BP est) 7.10(MP est) ----(BP exp) ----(MP exp) BrC(C1C[Se]1)=C 7.1Pred
BrC=CC1C[Se]116153211.948C4H5BrSe2-(2-bromovinyl)seleniraneN116BrC=CC1C[Se]1InChI=1S/C4H5BrSe/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=VRFRMNRESVBWJH-UHFFFAOYSA-N194.4Ex 194.35(BP est) 16.34(MP est) ----(BP exp) ----(MP exp) BrC=CC1C[Se]1 16.3Pred
BrC1C2(CC2)[Se]116154211.948C4H5BrSe2-bromo-1-selenaspiro[2.2]pentaneN116BrC1C2(CC2)[Se]1InChI=1S/C4H5BrSe/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=CKNHVJXXUIPZPJ-UHFFFAOYSA-N178.8Ex 178.82(BP est) 13.89(MP est) ----(BP exp) ----(MP exp) BrC1C2(CC2)[Se]1 13.9Pred
BrC1(C=C)C[Se]116155211.948C4H5BrSe2-bromo-2-vinylseleniraneN116BrC1(C=C)C[Se]1InChI=1S/C4H5BrSe/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=LGOXOLGUWLWCIH-UHFFFAOYSA-N175.6Ex 175.61(BP est) 24.48(MP est) ----(BP exp) ----(MP exp) BrC1(C=C)C[Se]1 24.5Pred
BrC1C(C=C)[Se]116156211.948C4H5BrSe2-bromo-3-vinylseleniraneN116BrC1C(C=C)[Se]1InChI=1S/C4H5BrSe/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=CKADVDKWUFBKDG-UHFFFAOYSA-N180.6Ex 180.58(BP est) 11.86(MP est) ----(BP exp) ----(MP exp) BrC1C(C=C)[Se]1 11.9Pred
BrC1CC2C1[Se]216157211.948C4H5BrSe2-bromo-5-selenabicyclo[2.1.0]pentaneN116BrC1CC2C1[Se]2InChI=1S/C4H5BrSe/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=AZGDLXKARMUABX-UHFFFAOYSA-N183.8Ex 183.75(BP est) 24.40(MP est) ----(BP exp) ----(MP exp) BrC1CC2C1[Se]2 24.4Pred
[SeH]CC(Br)C#C16158211.948C4H5BrSe2-bromobut-3-yne-1-selenolN116[Se]([H])CC(Br)C#CInChI=1S/C4H5BrSe/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=QFJJCVYFNPJDIB-UHFFFAOYSA-N183.2Ex 183.21(BP est) 29.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)C#C 29.1Pred
[SeH]C(C#C)(Br)C16159211.948C4H5BrSe2-bromobut-3-yne-2-selenolN116[Se]([H])C(C#C)(Br)CInChI=1S/C4H5BrSe/c1-3-4(2,5)6/h1,6H,2H3InChIKey=MGMLBGKZLJUHGC-UHFFFAOYSA-N175.0Ex 174.95(BP est) 11.93(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(Br)C 11.9Pred
[SeH]C1C(Br)=CC116160211.948C4H5BrSe2-bromocyclobut-2-ene-1-selenolN116[Se]([H])C1C(Br)=CC1InChI=1S/C4H5BrSe/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=XLSQOZXSOQUEQZ-UHFFFAOYSA-N194.6Ex 194.62(BP est) 20.17(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Br)=CC1 20.2Pred
[SeH]C1C=C(Br)C116161211.948C4H5BrSe3-bromocyclobut-2-ene-1-selenolN116[Se]([H])C1C=C(Br)C1InChI=1S/C4H5BrSe/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=DBJKVLHCTAKCFT-UHFFFAOYSA-N194.6Ex 194.62(BP est) 20.17(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=C(Br)C1 20.2Pred
BrC1C2([Se]C2)C116162211.948C4H5BrSe4-bromo-1-selenaspiro[2.2]pentaneN116BrC1C2([Se]C2)C1InChI=1S/C4H5BrSe/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=JPVHOWPZIVNSKQ-UHFFFAOYSA-N178.8Ex 178.82(BP est) 13.89(MP est) ----(BP exp) ----(MP exp) BrC1C2([Se]C2)C1 13.9Pred
[SeH]CCC#CBr16163211.948C4H5BrSe4-bromobut-3-yne-1-selenolN116[Se]([H])CCC#CBrInChI=1S/C4H5BrSe/c5-3-1-2-4-6/h6H,2,4H2InChIKey=IBNBCONGBWBATG-UHFFFAOYSA-N202.9Ex 202.94(BP est) 38.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC#CBr 38.4Pred
[SeH]C(C)C#CBr16164211.948C4H5BrSe4-bromobut-3-yne-2-selenolN116[Se]([H])C(C)C#CBrInChI=1S/C4H5BrSe/c1-4(6)2-3-5/h4,6H,1H3InChIKey=HNENDYWRFXJELC-UHFFFAOYSA-N190.9Ex 190.85(BP est) 29.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C#CBr 29.3Pred
[SeH]C1C=CC1Br16165211.948C4H5BrSe4-bromocyclobut-2-ene-1-selenolN116[Se]([H])C1C=CC1BrInChI=1S/C4H5BrSe/c5-3-1-2-4(3)6/h1-4,6HInChIKey=NGKMEAVTIUJSPI-UHFFFAOYSA-N190.5Ex 190.49(BP est) 20.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=CC1Br 20.7Pred
ClC[Se]C(Cl)Cl16166212.356C2H3Cl3Se(chloromethyl)(dichloromethyl)selaneN96ClC[Se]C(Cl)ClInChI=1S/C2H3Cl3Se/c3-1-6-2(4)5/h2H,1H2InChIKey=OZYNQHDATPVLJG-UHFFFAOYSA-N208.5Ex 208.48(BP est) 8.49(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Cl)Cl 8.5Pred
[SeH]C(CCl)(Cl)Cl16167212.356C2H3Cl3Se1,1,2-trichloroethane-1-selenolN96[Se]([H])C(CCl)(Cl)ClInChI=1S/C2H3Cl3Se/c3-1-2(4,5)6/h6H,1H2InChIKey=MIIMPSDNXHXEGR-UHFFFAOYSA-N180.4Ex 180.43(BP est) 17.19(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(Cl)Cl 17.2Pred
[SeH]C(Cl)C(Cl)Cl16168212.356C2H3Cl3Se1,2,2-trichloroethane-1-selenolN96[Se]([H])C(Cl)C(Cl)ClInChI=1S/C2H3Cl3Se/c3-1(4)2(5)6/h1-2,6HInChIKey=VBGBVIISGYLUMG-UHFFFAOYSA-N187.4Ex 187.36(BP est) 3.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(Cl)Cl 3Pred
[SeH]CC(Cl)(Cl)Cl16169212.356C2H3Cl3Se2,2,2-trichloroethane-1-selenolN96[Se]([H])CC(Cl)(Cl)ClInChI=1S/C2H3Cl3Se/c3-2(4,5)1-6/h6H,1H2InChIKey=BBRZEHQVUZNFPL-UHFFFAOYSA-N157.2Ex 157.24(BP est) 10.42(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)(Cl)Cl 10.4Pred
C[Se]C(Cl)(Cl)Cl16170212.356C2H3Cl3Semethyl(trichloromethyl)selaneN96C[Se]C(Cl)(Cl)ClInChI=1S/C2H3Cl3Se/c1-6-2(3,4)5/h1H3InChIKey=GTOLBZPDBVMZOK-UHFFFAOYSA-N155.2Ex 155.22(BP est) 1.65(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)(Cl)Cl 1.7Pred
C[Se]C(C=C)Br16171213.964C4H7BrSe(1-bromoallyl)(methyl)selaneN136C[Se]C(C=C)BrInChI=1S/C4H7BrSe/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=ZYMXBGWAWFZYBV-UHFFFAOYSA-N172.4Ex 172.38(BP est) -6.64(MP est) ----(BP exp) ----(MP exp) C[Se]C(C=C)Br -6.6Pred
C[Se]C1(Br)CC116172213.964C4H7BrSe(1-bromocyclopropyl)(methyl)selaneN136C[Se]C1(Br)CC1InChI=1S/C4H7BrSe/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=WWBCXFJDXXBTBL-UHFFFAOYSA-N179.1Ex 179.09(BP est) 24.62(MP est) ----(BP exp) ----(MP exp) C[Se]C1(Br)CC1 24.6Pred
[SeH]CC1(Br)CC116173213.964C4H7BrSe(1-bromocyclopropyl)methaneselenolN136[Se]([H])CC1(Br)CC1InChI=1S/C4H7BrSe/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=HWCDQGAOLINQOH-UHFFFAOYSA-N181.0Ex 181.02(BP est) 12.70(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1(Br)CC1 12.7Pred
BrC([Se]C=C)C16174213.964C4H7BrSe(1-bromoethyl)(vinyl)selaneN136BrC([Se]C=C)CInChI=1S/C4H7BrSe/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=KTEVWLPUKAVXNM-UHFFFAOYSA-N172.4Ex 172.38(BP est) -6.64(MP est) ----(BP exp) ----(MP exp) BrC([Se]C=C)C -6.6Pred
C[Se]C(Br)=CC16175213.964C4H7BrSe(1-bromoprop-1-en-1-yl)(methyl)selaneN136C[Se]C(Br)=CCInChI=1S/C4H7BrSe/c1-3-4(5)6-2/h3H,1-2H3InChIKey=IZFBTQWNVQBVON-UHFFFAOYSA-N187.2Ex 187.21(BP est) -3.46(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)=CC -3.5Pred
C[Se]C(C)=CBr16176213.964C4H7BrSe(1-bromoprop-1-en-2-yl)(methyl)selaneN136C[Se]C(C)=CBrInChI=1S/C4H7BrSe/c1-4(3-5)6-2/h3H,1-2H3InChIKey=KABHNSQQFPWCRH-UHFFFAOYSA-N187.2Ex 187.21(BP est) -3.46(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)=CBr -3.5Pred
CC[Se]C(Br)=C16177213.964C4H7BrSe(1-bromovinyl)(ethyl)selaneN136CC[Se]C(Br)=CInChI=1S/C4H7BrSe/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=BERKGGCBRRCOOB-UHFFFAOYSA-N179.3Ex 179.30(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) CC[Se]C(Br)=C -4.1Pred
C[Se]CC(Br)=C16178213.964C4H7BrSe(2-bromoallyl)(methyl)selaneN136C[Se]CC(Br)=CInChI=1S/C4H7BrSe/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=HMYHPMZTLMEELD-UHFFFAOYSA-N179.3Ex 179.30(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Br)=C -4.1Pred
C[Se]C1C(Br)C116179213.964C4H7BrSe(2-bromocyclopropyl)(methyl)selaneN136C[Se]C1C(Br)C1InChI=1S/C4H7BrSe/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=BHKHEWWLDJIQKQ-UHFFFAOYSA-N184.0Ex 184.02(BP est) 11.99(MP est) ----(BP exp) ----(MP exp) C[Se]C1C(Br)C1 12Pred
[SeH]CC1C(Br)C116180213.964C4H7BrSe(2-bromocyclopropyl)methaneselenolN136[Se]([H])CC1C(Br)C1InChI=1S/C4H7BrSe/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=HHPKBOVHMOQQQH-UHFFFAOYSA-N185.9Ex 185.93(BP est) 20.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1C(Br)C1 20.7Pred
BrCC[Se]C=C16181213.964C4H7BrSe(2-bromoethyl)(vinyl)selaneN136BrCC[Se]C=CInChI=1S/C4H7BrSe/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=BKVLZRSWWXISGU-UHFFFAOYSA-N185.0Ex 184.95(BP est) 4.53(MP est) ----(BP exp) ----(MP exp) BrCC[Se]C=C 4.5Pred
C[Se]C=C(Br)C16182213.964C4H7BrSe(2-bromoprop-1-en-1-yl)(methyl)selaneN136C[Se]C=C(Br)CInChI=1S/C4H7BrSe/c1-4(5)3-6-2/h3H,1-2H3InChIKey=RUPMXBOLYVEXCC-UHFFFAOYSA-N187.2Ex 187.21(BP est) -3.46(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(Br)C -3.5Pred
CC[Se]C=CBr16183213.964C4H7BrSe(2-bromovinyl)(ethyl)selaneN136CC[Se]C=CBrInChI=1S/C4H7BrSe/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=CVBLDLXUIKLNFP-UHFFFAOYSA-N192.8Ex 192.76(BP est) 5.15(MP est) ----(BP exp) ----(MP exp) CC[Se]C=CBr 5.2Pred
C[Se]CC=CBr16184213.964C4H7BrSe(3-bromoallyl)(methyl)selaneN136C[Se]CC=CBrInChI=1S/C4H7BrSe/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=NWUJUOGUVARIGG-UHFFFAOYSA-N192.8Ex 192.76(BP est) 5.15(MP est) ----(BP exp) ----(MP exp) C[Se]CC=CBr 5.2Pred
C[Se]C=CCBr16185213.964C4H7BrSe(3-bromoprop-1-en-1-yl)(methyl)selaneN136C[Se]C=CCBrInChI=1S/C4H7BrSe/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=FKUIOIMQDAPJCZ-UHFFFAOYSA-N192.8Ex 192.76(BP est) 5.15(MP est) ----(BP exp) ----(MP exp) C[Se]C=CCBr 5.2Pred
C[Se]C(CBr)=C16186213.964C4H7BrSe(3-bromoprop-1-en-2-yl)(methyl)selaneN136C[Se]C(CBr)=CInChI=1S/C4H7BrSe/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=XRHVYQRPVJQBSW-UHFFFAOYSA-N179.3Ex 179.30(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) C[Se]C(CBr)=C -4.1Pred
BrC[Se]C1CC116187213.964C4H7BrSe(bromomethyl)(cyclopropyl)selaneN136BrC[Se]C1CC1InChI=1S/C4H7BrSe/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=APNOPRURYRGWSY-UHFFFAOYSA-N190.0Ex 189.96(BP est) 15.84(MP est) ----(BP exp) ----(MP exp) BrC[Se]C1CC1 15.8Pred
BrC[Se]C=CC16188213.964C4H7BrSe(bromomethyl)(prop-1-en-1-yl)selaneN136BrC[Se]C=CCInChI=1S/C4H7BrSe/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=ROZAIDZGCXZRIN-UHFFFAOYSA-N192.8Ex 192.76(BP est) 5.15(MP est) ----(BP exp) ----(MP exp) BrC[Se]C=CC 5.2Pred
BrC[Se]C(C)=C16189213.964C4H7BrSe(bromomethyl)(prop-1-en-2-yl)selaneN136BrC[Se]C(C)=CInChI=1S/C4H7BrSe/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=OMQAMYQDUMHLGK-UHFFFAOYSA-N179.3Ex 179.30(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(C)=C -4.1Pred
[SeH]C1(CBr)CC116190213.964C4H7BrSe1-(bromomethyl)cyclopropane-1-selenolN136[Se]([H])C1(CBr)CC1InChI=1S/C4H7BrSe/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=KANFFTLOYZIHKH-UHFFFAOYSA-N181.0Ex 181.02(BP est) 12.70(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(CBr)CC1 12.7Pred
[SeH]C(Br)CC=C16191213.964C4H7BrSe1-bromobut-3-ene-1-selenolN136[Se]([H])C(Br)CC=CInChI=1S/C4H7BrSe/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=NHMVVFDDNRWYQD-UHFFFAOYSA-N174.3Ex 174.33(BP est) 2.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CC=C 2.1Pred
[SeH]C(CBr)C=C16192213.964C4H7BrSe1-bromobut-3-ene-2-selenolN136[Se]([H])C(CBr)C=CInChI=1S/C4H7BrSe/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=MCXGROZKEPIHLZ-UHFFFAOYSA-N174.3Ex 174.33(BP est) 2.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)C=C 2.1Pred
[SeH]C1(Br)CCC116193213.964C4H7BrSe1-bromocyclobutane-1-selenolN136[Se]([H])C1(Br)CCC1InChI=1S/C4H7BrSe/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=QJFCTEIROFSMSA-UHFFFAOYSA-N182.9Ex 182.92(BP est) 19.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Br)CCC1 19.2Pred
BrC(C)C1C[Se]116194213.964C4H7BrSe2-(1-bromoethyl)seleniraneN136BrC(C)C1C[Se]1InChI=1S/C4H7BrSe/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=YRJYOYXVUAGQQW-UHFFFAOYSA-N175.6Ex 175.61(BP est) 5.91(MP est) ----(BP exp) ----(MP exp) BrC(C)C1C[Se]1 5.9Pred
BrCCC1C[Se]116195213.964C4H7BrSe2-(2-bromoethyl)seleniraneN136BrCCC1C[Se]1InChI=1S/C4H7BrSe/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=ZAJJMAJWTJZDTF-UHFFFAOYSA-N188.1Ex 188.09(BP est) 17.05(MP est) ----(BP exp) ----(MP exp) BrCCC1C[Se]1 17.1Pred
CC1(CBr)C[Se]116196213.964C4H7BrSe2-(bromomethyl)-2-methylseleniraneN136CC1(CBr)C[Se]1InChI=1S/C4H7BrSe/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=HYWZJVABLCZIEA-UHFFFAOYSA-N177.2Ex 177.18(BP est) 25.82(MP est) ----(BP exp) ----(MP exp) CC1(CBr)C[Se]1 25.8Pred
CC1C(CBr)[Se]116197213.964C4H7BrSe2-(bromomethyl)-3-methylseleniraneN136CC1C(CBr)[Se]1InChI=1S/C4H7BrSe/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=DOLRDUOEHLPZME-UHFFFAOYSA-N182.1Ex 182.13(BP est) 13.19(MP est) ----(BP exp) ----(MP exp) CC1C(CBr)[Se]1 13.2Pred
BrCC1[Se]CC116198213.964C4H7BrSe2-(bromomethyl)selenetaneN136BrCC1[Se]CC1InChI=1S/C4H7BrSe/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=IJIOTZMEEKCSRN-UHFFFAOYSA-N190.0Ex 189.96(BP est) 15.84(MP est) ----(BP exp) ----(MP exp) BrCC1[Se]CC1 15.8Pred
[SeH]C1(C)C(Br)C116199213.964C4H7BrSe2-bromo-1-methylcyclopropane-1-selenolN136[Se]([H])C1(C)C(Br)C1InChI=1S/C4H7BrSe/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=VNXACAGZDPNQOV-UHFFFAOYSA-N175.0Ex 174.96(BP est) 29.47(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C)C(Br)C1 29.5Pred
CC1C(C)(Br)[Se]116200213.964C4H7BrSe2-bromo-2,3-dimethylseleniraneN136CC1C(C)(Br)[Se]1InChI=1S/C4H7BrSe/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=YWWHZWLOIXBAQT-UHFFFAOYSA-N171.1Ex 171.08(BP est) 21.92(MP est) ----(BP exp) ----(MP exp) CC1C(C)(Br)[Se]1 21.9Pred
BrC1(CC)C[Se]116201213.964C4H7BrSe2-bromo-2-ethylseleniraneN136BrC1(CC)C[Se]1InChI=1S/C4H7BrSe/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=NYUKESUFYIAQCU-UHFFFAOYSA-N177.2Ex 177.18(BP est) 25.82(MP est) ----(BP exp) ----(MP exp) BrC1(CC)C[Se]1 25.8Pred
BrC1(C)[Se]CC116202213.964C4H7BrSe2-bromo-2-methylselenetaneN136BrC1(C)[Se]CC1InChI=1S/C4H7BrSe/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=SMMMPKPPKJUPLH-UHFFFAOYSA-N179.1Ex 179.09(BP est) 24.62(MP est) ----(BP exp) ----(MP exp) BrC1(C)[Se]CC1 24.6Pred
BrC1C(CC)[Se]116203213.964C4H7BrSe2-bromo-3-ethylseleniraneN136BrC1C(CC)[Se]1InChI=1S/C4H7BrSe/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=CNTKGGPOPZIZDM-UHFFFAOYSA-N182.1Ex 182.13(BP est) 13.19(MP est) ----(BP exp) ----(MP exp) BrC1C(CC)[Se]1 13.2Pred
BrC1[Se]CC1C16204213.964C4H7BrSe2-bromo-3-methylselenetaneN136BrC1[Se]CC1CInChI=1S/C4H7BrSe/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=INSKUGJWCMNKFW-UHFFFAOYSA-N184.0Ex 184.02(BP est) 11.99(MP est) ----(BP exp) ----(MP exp) BrC1[Se]CC1C 12Pred
BrC1CC(C)[Se]116205213.964C4H7BrSe2-bromo-4-methylselenetaneN136BrC1CC(C)[Se]1InChI=1S/C4H7BrSe/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=SZVIVCUVUNXXBB-UHFFFAOYSA-N184.0Ex 184.02(BP est) 11.99(MP est) ----(BP exp) ----(MP exp) BrC1CC(C)[Se]1 12Pred
[SeH]CC(Br)C=C16206213.964C4H7BrSe2-bromobut-3-ene-1-selenolN136[Se]([H])CC(Br)C=CInChI=1S/C4H7BrSe/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=BWDFLJLXGUCGHG-UHFFFAOYSA-N174.3Ex 174.33(BP est) 2.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)C=C 2.1Pred
[SeH]C(Br)(C)C=C16207213.964C4H7BrSe2-bromobut-3-ene-2-selenolN136[Se]([H])C(Br)(C)C=CInChI=1S/C4H7BrSe/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=NIXKKYXMHMUNCN-UHFFFAOYSA-N165.9Ex 165.92(BP est) 8.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)(C)C=C 8.4Pred
[SeH]C1C(Br)CC116208213.964C4H7BrSe2-bromocyclobutane-1-selenolN136[Se]([H])C1C(Br)CC1InChI=1S/C4H7BrSe/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=RIHXMSYTSRUZCH-UHFFFAOYSA-N187.8Ex 187.81(BP est) 19.51(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Br)CC1 19.5Pred
BrC1CCC[Se]116209213.964C4H7BrSe2-bromotetrahydroselenopheneN136BrC1CCC[Se]1InChI=1S/C4H7BrSe/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=ZPSHPISLMCCMOG-UHFFFAOYSA-N191.8Ex 191.83(BP est) 14.62(MP est) ----(BP exp) ----(MP exp) BrC1CCC[Se]1 14.6Pred
BrCC1C[Se]C116210213.964C4H7BrSe3-(bromomethyl)selenetaneN136BrCC1C[Se]C1InChI=1S/C4H7BrSe/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=GHBWZUORZFDVEV-UHFFFAOYSA-N190.0Ex 189.96(BP est) 15.84(MP est) ----(BP exp) ----(MP exp) BrCC1C[Se]C1 15.8Pred
BrC1C(C)(C)[Se]116211213.964C4H7BrSe3-bromo-2,2-dimethylseleniraneN136BrC1C(C)(C)[Se]1InChI=1S/C4H7BrSe/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=ORDMHIQZUBEFTP-UHFFFAOYSA-N171.1Ex 171.08(BP est) 21.92(MP est) ----(BP exp) ----(MP exp) BrC1C(C)(C)[Se]1 21.9Pred
CC1[Se]CC1Br16212213.964C4H7BrSe3-bromo-2-methylselenetaneN136CC1[Se]CC1BrInChI=1S/C4H7BrSe/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=HBEPPMUMTIZFLV-UHFFFAOYSA-N184.0Ex 184.02(BP est) 11.99(MP est) ----(BP exp) ----(MP exp) CC1[Se]CC1Br 12Pred
BrC1(C)C[Se]C116213213.964C4H7BrSe3-bromo-3-methylselenetaneN136BrC1(C)C[Se]C1InChI=1S/C4H7BrSe/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=PJXIAZPBBWERHZ-UHFFFAOYSA-N179.1Ex 179.09(BP est) 24.62(MP est) ----(BP exp) ----(MP exp) BrC1(C)C[Se]C1 24.6Pred
[SeH]CCC(Br)=C16214213.964C4H7BrSe3-bromobut-3-ene-1-selenolN136[Se]([H])CCC(Br)=CInChI=1S/C4H7BrSe/c1-4(5)2-3-6/h6H,1-3H2InChIKey=XODPCYPLJNHVTI-UHFFFAOYSA-N181.2Ex 181.22(BP est) 4.64(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Br)=C 4.6Pred
[SeH]C(C(Br)=C)C16215213.964C4H7BrSe3-bromobut-3-ene-2-selenolN136[Se]([H])C(C(Br)=C)CInChI=1S/C4H7BrSe/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=GMIQTVDNZFADKK-UHFFFAOYSA-N168.6Ex 168.55(BP est) -6.56(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(Br)=C)C -6.6Pred
[SeH]C1CC(Br)C116216213.964C4H7BrSe3-bromocyclobutane-1-selenolN136[Se]([H])C1CC(Br)C1InChI=1S/C4H7BrSe/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=GVAKDLVADZYQNX-UHFFFAOYSA-N187.8Ex 187.81(BP est) 19.51(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC(Br)C1 19.5Pred
BrC1C[Se]CC116217213.964C4H7BrSe3-bromotetrahydroselenopheneN136BrC1C[Se]CC1InChI=1S/C4H7BrSe/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=OIYLPHCBNOBMCE-UHFFFAOYSA-N191.8Ex 191.83(BP est) 14.62(MP est) ----(BP exp) ----(MP exp) BrC1C[Se]CC1 14.6Pred
[SeH]CCC=CBr16218213.964C4H7BrSe4-bromobut-3-ene-1-selenolN136[Se]([H])CCC=CBrInChI=1S/C4H7BrSe/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=VHJYYNXXSIUALC-UHFFFAOYSA-N194.6Ex 194.63(BP est) 13.88(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC=CBr 13.9Pred
[SeH]C(C)C=CBr16219213.964C4H7BrSe4-bromobut-3-ene-2-selenolN136[Se]([H])C(C)C=CBrInChI=1S/C4H7BrSe/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=CJUFRJCCTWBAAO-UHFFFAOYSA-N182.3Ex 182.32(BP est) 2.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C=CBr 2.8Pred
BrC[Se]CC=C16220213.964C4H7BrSeallyl(bromomethyl)selaneN136BrC[Se]CC=CInChI=1S/C4H7BrSe/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=UCTYYCZCDDBTOU-UHFFFAOYSA-N185.0Ex 184.95(BP est) 4.53(MP est) ----(BP exp) ----(MP exp) BrC[Se]CC=C 4.5Pred
[SeH]C(Br)C1CC116221213.964C4H7BrSebromo(cyclopropyl)methaneselenolN136[Se]([H])C(Br)C1CC1InChI=1S/C4H7BrSe/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=HFEHPCQCDUJCLU-UHFFFAOYSA-N179.5Ex 179.46(BP est) 13.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C1CC1 13.5Pred
[SeH]C(C#C)(Br)F16224215.911C3H2BrFSe1-bromo-1-fluoroprop-2-yne-1-selenolN86[Se]([H])C(C#C)(Br)FInChI=1S/C3H2BrFSe/c1-2-3(4,5)6/h1,6HInChIKey=QKYILMGSHYAUEQ-UHFFFAOYSA-N155.6Ex 155.62(BP est) 24.38(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(Br)F 24.4Pred
[SeH]C(Br)C#CF16225215.911C3H2BrFSe1-bromo-3-fluoroprop-2-yne-1-selenolN86[Se]([H])C(Br)C#CFInChI=1S/C3H2BrFSe/c4-3(6)1-2-5/h3,6HInChIKey=NHBZIMLQOKJQDQ-UHFFFAOYSA-N172.2Ex 172.15(BP est) 18.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C#CF 18.5Pred
[SeH]C(F)C#CBr16226215.911C3H2BrFSe3-bromo-1-fluoroprop-2-yne-1-selenolN86[Se]([H])C(F)C#CBrInChI=1S/C3H2BrFSe/c4-2-1-3(5)6/h3,6HInChIKey=IPTHQONFSAETOQ-UHFFFAOYSA-N172.2Ex 172.15(BP est) 18.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C#CBr 18.5Pred
CC[Se]C(C)Br16227215.98C4H9BrSe(1-bromoethyl)(ethyl)selaneN156CC[Se]C(C)BrInChI=1S/C4H9BrSe/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=BHOBPCMMPVQTOD-UHFFFAOYSA-N174.0Ex 173.96(BP est) -5.30(MP est) ----(BP exp) ----(MP exp) CC[Se]C(C)Br -5.3Pred
C[Se]C(CBr)C16228215.98C4H9BrSe(1-bromopropan-2-yl)(methyl)selaneN156C[Se]C(CBr)CInChI=1S/C4H9BrSe/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=SYXYAEIEZOBXJW-UHFFFAOYSA-N174.0Ex 173.96(BP est) -5.30(MP est) ----(BP exp) ----(MP exp) C[Se]C(CBr)C -5.3Pred
C[Se]C(CC)Br16229215.98C4H9BrSe(1-bromopropyl)(methyl)selaneN156C[Se]C(CC)BrInChI=1S/C4H9BrSe/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=IZDWQIDDTNHJPT-UHFFFAOYSA-N174.0Ex 173.96(BP est) -5.30(MP est) ----(BP exp) ----(MP exp) C[Se]C(CC)Br -5.3Pred
CC[Se]CCBr16230215.98C4H9BrSe(2-bromoethyl)(ethyl)selaneN156CC[Se]CCBrInChI=1S/C4H9BrSe/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=ZTKMKOBBGPNSLO-UHFFFAOYSA-N186.5Ex 186.49(BP est) 5.85(MP est) ----(BP exp) ----(MP exp) CC[Se]CCBr 5.9Pred
C[Se]C(Br)(C)C16231215.98C4H9BrSe(2-bromopropan-2-yl)(methyl)selaneN156C[Se]C(Br)(C)CInChI=1S/C4H9BrSe/c1-4(2,5)6-3/h1-3H3InChIKey=VYCQVIKHQWVGOY-UHFFFAOYSA-N165.5Ex 165.54(BP est) 0.95(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)(C)C 1Pred
C[Se]CC(C)Br16232215.98C4H9BrSe(2-bromopropyl)(methyl)selaneN156C[Se]CC(C)BrInChI=1S/C4H9BrSe/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=RIZLGKXKNQMKMD-UHFFFAOYSA-N174.0Ex 173.96(BP est) -5.30(MP est) ----(BP exp) ----(MP exp) C[Se]CC(C)Br -5.3Pred
C[Se]CCCBr16233215.98C4H9BrSe(3-bromopropyl)(methyl)selaneN156C[Se]CCCBrInChI=1S/C4H9BrSe/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=XNOZYPUJRCAVDT-UHFFFAOYSA-N186.5Ex 186.49(BP est) 5.85(MP est) ----(BP exp) ----(MP exp) C[Se]CCCBr 5.9Pred
BrC[Se]C(C)C16234215.98C4H9BrSe(bromomethyl)(isopropyl)selaneN156BrC[Se]C(C)CInChI=1S/C4H9BrSe/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=OOMSUFGMQFDYMU-UHFFFAOYSA-N174.0Ex 173.96(BP est) -5.30(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(C)C -5.3Pred
BrC[Se]CCC16235215.98C4H9BrSe(bromomethyl)(propyl)selaneN156BrC[Se]CCCInChI=1S/C4H9BrSe/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=YDLVUFTYEUZNLC-UHFFFAOYSA-N186.5Ex 186.49(BP est) 5.85(MP est) ----(BP exp) ----(MP exp) BrC[Se]CCC 5.9Pred
[SeH]C(C(C)C)Br16236215.98C4H9BrSe1-bromo-2-methylpropane-1-selenolN156[Se]([H])C(C(C)C)BrInChI=1S/C4H9BrSe/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=JCLCVPNRNVRUGA-UHFFFAOYSA-N163.1Ex 163.09(BP est) -7.79(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(C)C)Br -7.8Pred
[SeH]C(C)(C)CBr16237215.98C4H9BrSe1-bromo-2-methylpropane-2-selenolN156[Se]([H])C(C)(C)CBrInChI=1S/C4H9BrSe/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=DVPXEOUJUVGFMX-UHFFFAOYSA-N167.5Ex 167.51(BP est) 9.71(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(C)CBr 9.7Pred
[SeH]C(Br)CCC16238215.98C4H9BrSe1-bromobutane-1-selenolN156[Se]([H])C(Br)CCCInChI=1S/C4H9BrSe/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=KBGRRKAZWUIZIV-UHFFFAOYSA-N175.9Ex 175.90(BP est) 3.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CCC 3.5Pred
[SeH]C(CBr)CC16239215.98C4H9BrSe1-bromobutane-2-selenolN156[Se]([H])C(CBr)CCInChI=1S/C4H9BrSe/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=NTJGWQMOMXTQNX-UHFFFAOYSA-N175.9Ex 175.90(BP est) 3.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)CC 3.5Pred
[SeH]CC(Br)(C)C16240215.98C4H9BrSe2-bromo-2-methylpropane-1-selenolN156[Se]([H])CC(Br)(C)CInChI=1S/C4H9BrSe/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=PIJDUOCGRZJZPO-UHFFFAOYSA-N167.5Ex 167.51(BP est) 9.71(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)(C)C 9.7Pred
[SeH]CC(Br)CC16241215.98C4H9BrSe2-bromobutane-1-selenolN156[Se]([H])CC(Br)CCInChI=1S/C4H9BrSe/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=ZSECTBAAMORHDK-UHFFFAOYSA-N175.9Ex 175.90(BP est) 3.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)CC 3.5Pred
[SeH]C(Br)(C)CC16242215.98C4H9BrSe2-bromobutane-2-selenolN156[Se]([H])C(Br)(C)CCInChI=1S/C4H9BrSe/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=AQNODEBWHTXYAR-UHFFFAOYSA-N167.5Ex 167.51(BP est) 9.71(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)(C)CC 9.7Pred
[SeH]CC(C)CBr16243215.98C4H9BrSe3-bromo-2-methylpropane-1-selenolN156[Se]([H])CC(C)CBrInChI=1S/C4H9BrSe/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=ZJRBZGDORQVJCL-UHFFFAOYSA-N175.9Ex 175.90(BP est) 3.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)CBr 3.5Pred
[SeH]CCC(Br)C16244215.98C4H9BrSe3-bromobutane-1-selenolN156[Se]([H])CCC(Br)CInChI=1S/C4H9BrSe/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=OYZZKLLMOJIQKP-UHFFFAOYSA-N175.9Ex 175.90(BP est) 3.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Br)C 3.5Pred
[SeH]C(C(C)Br)C16245215.98C4H9BrSe3-bromobutane-2-selenolN156[Se]([H])C(C(C)Br)CInChI=1S/C4H9BrSe/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=ZYCBJAMZROKSKU-UHFFFAOYSA-N163.1Ex 163.09(BP est) -7.79(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C(C)Br)C -7.8Pred
[SeH]CCCCBr16246215.98C4H9BrSe4-bromobutane-1-selenolN156[Se]([H])CCCCBrInChI=1S/C4H9BrSe/c5-3-1-2-4-6/h6H,1-4H2InChIKey=FEDOOCDZJWNODC-UHFFFAOYSA-N188.4Ex 188.38(BP est) 14.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCBr 14.6Pred
[SeH]C(C)CCBr16247215.98C4H9BrSe4-bromobutane-2-selenolN156[Se]([H])C(C)CCBrInChI=1S/C4H9BrSe/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=OALXNGHGMFFPLG-UHFFFAOYSA-N175.9Ex 175.90(BP est) 3.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CCBr 3.5Pred
C[Se]C(Br)=CF16249217.927C3H4BrFSe(1-bromo-2-fluorovinyl)(methyl)selaneN106C[Se]C(Br)=CFInChI=1S/C3H4BrFSe/c1-6-3(4)2-5/h2H,1H3InChIKey=GULOMSYQWJPCTC-UHFFFAOYSA-N168.4Ex 168.36(BP est) -14.30(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)=CF -14.3Pred
FC[Se]C(Br)=C16250217.927C3H4BrFSe(1-bromovinyl)(fluoromethyl)selaneN106FC[Se]C(Br)=CInChI=1S/C3H4BrFSe/c1-3(4)6-2-5/h1-2H2InChIKey=HABKXPRQQACHOM-UHFFFAOYSA-N160.1Ex 160.14(BP est) -15.04(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Br)=C -15Pred
C[Se]C(F)=CBr16251217.927C3H4BrFSe(2-bromo-1-fluorovinyl)(methyl)selaneN106C[Se]C(F)=CBrInChI=1S/C3H4BrFSe/c1-6-3(5)2-4/h2H,1H3InChIKey=XDNAEPHEXMFREV-UHFFFAOYSA-N168.4Ex 168.36(BP est) -14.30(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)=CBr -14.3Pred
C[Se]C=C(Br)F16252217.927C3H4BrFSe(2-bromo-2-fluorovinyl)(methyl)selaneN106C[Se]C=C(Br)FInChI=1S/C3H4BrFSe/c1-6-2-3(4)5/h2H,1H3InChIKey=MSAUHZBGBYNKBB-UHFFFAOYSA-N168.4Ex 168.36(BP est) -14.30(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(Br)F -14.3Pred
FC[Se]C=CBr16253217.927C3H4BrFSe(2-bromovinyl)(fluoromethyl)selaneN106FC[Se]C=CBrInChI=1S/C3H4BrFSe/c4-1-2-6-3-5/h1-2H,3H2InChIKey=PIZPALSUXJNEKQ-UHFFFAOYSA-N174.1Ex 174.14(BP est) -5.63(MP est) ----(BP exp) ----(MP exp) FC[Se]C=CBr -5.6Pred
BrC(F)[Se]C=C16254217.927C3H4BrFSe(bromofluoromethyl)(vinyl)selaneN106BrC(F)[Se]C=CInChI=1S/C3H4BrFSe/c1-2-6-3(4)5/h2-3H,1H2InChIKey=LPWIKPSYKLWOAM-UHFFFAOYSA-N153.0Ex 152.95(BP est) -17.66(MP est) ----(BP exp) ----(MP exp) BrC(F)[Se]C=C -17.7Pred
BrC[Se]C(F)=C16255217.927C3H4BrFSe(bromomethyl)(1-fluorovinyl)selaneN106BrC[Se]C(F)=CInChI=1S/C3H4BrFSe/c1-3(5)6-2-4/h1-2H2InChIKey=XMJWZQHHIAARAM-UHFFFAOYSA-N160.1Ex 160.14(BP est) -15.04(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(F)=C -15Pred
BrC[Se]C=CF16256217.927C3H4BrFSe(bromomethyl)(2-fluorovinyl)selaneN106BrC[Se]C=CFInChI=1S/C3H4BrFSe/c4-3-6-2-1-5/h1-2H,3H2InChIKey=XWXDMYIJOZKHAD-UHFFFAOYSA-N174.1Ex 174.14(BP est) -5.63(MP est) ----(BP exp) ----(MP exp) BrC[Se]C=CF -5.6Pred
[SeH]C(C=C)(Br)F16257217.927C3H4BrFSe1-bromo-1-fluoroprop-2-ene-1-selenolN106[Se]([H])C(C=C)(Br)FInChI=1S/C3H4BrFSe/c1-2-3(4,5)6/h2,6H,1H2InChIKey=LPVKZEXIPDPMHC-UHFFFAOYSA-N146.2Ex 146.24(BP est) -2.72(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(Br)F -2.7Pred
[SeH]C1(Br)C(F)C116258217.927C3H4BrFSe1-bromo-2-fluorocyclopropane-1-selenolN106[Se]([H])C1(Br)C(F)C1InChI=1S/C3H4BrFSe/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=VVRUMGZQFFOKSY-UHFFFAOYSA-N155.6Ex 155.64(BP est) 18.49(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Br)C(F)C1 18.5Pred
[SeH]C(Br)C(F)=C16259217.927C3H4BrFSe1-bromo-2-fluoroprop-2-ene-1-selenolN106[Se]([H])C(Br)C(F)=CInChI=1S/C3H4BrFSe/c1-2(5)3(4)6/h3,6H,1H2InChIKey=XUFJIBWCPASTJR-UHFFFAOYSA-N149.0Ex 148.98(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(F)=C -17.6Pred
[SeH]C(Br)C=CF16260217.927C3H4BrFSe1-bromo-3-fluoroprop-2-ene-1-selenolN106[Se]([H])C(Br)C=CFInChI=1S/C3H4BrFSe/c4-3(6)1-2-5/h1-3,6HInChIKey=FSXRXZFZHFXAKW-UHFFFAOYSA-N163.3Ex 163.28(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C=CF -8.1Pred
BrC(F)C1C[Se]116261217.927C3H4BrFSe2-(bromofluoromethyl)seleniraneN106BrC(F)C1C[Se]1InChI=1S/C3H4BrFSe/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=VXMRMVJKLXVJLW-UHFFFAOYSA-N156.3Ex 156.30(BP est) -5.07(MP est) ----(BP exp) ----(MP exp) BrC(F)C1C[Se]1 -5.1Pred
FC1(CBr)C[Se]116262217.927C3H4BrFSe2-(bromomethyl)-2-fluoroseleniraneN106FC1(CBr)C[Se]1InChI=1S/C3H4BrFSe/c4-1-3(5)2-6-3/h1-2H2InChIKey=MRHNRKUUMWUOFZ-UHFFFAOYSA-N157.9Ex 157.94(BP est) 14.86(MP est) ----(BP exp) ----(MP exp) FC1(CBr)C[Se]1 14.9Pred
FC1C(CBr)[Se]116263217.927C3H4BrFSe2-(bromomethyl)-3-fluoroseleniraneN106FC1C(CBr)[Se]1InChI=1S/C3H4BrFSe/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=HNFPPKDFECJNBQ-UHFFFAOYSA-N163.1Ex 163.08(BP est) 2.29(MP est) ----(BP exp) ----(MP exp) FC1C(CBr)[Se]1 2.3Pred
[SeH]C1(F)C(Br)C116264217.927C3H4BrFSe2-bromo-1-fluorocyclopropane-1-selenolN106[Se]([H])C1(F)C(Br)C1InChI=1S/C3H4BrFSe/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=SQRKEOJRWKWUSZ-UHFFFAOYSA-N155.6Ex 155.64(BP est) 18.49(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(F)C(Br)C1 18.5Pred
[SeH]C(F)C(Br)=C16265217.927C3H4BrFSe2-bromo-1-fluoroprop-2-ene-1-selenolN106[Se]([H])C(F)C(Br)=CInChI=1S/C3H4BrFSe/c1-2(4)3(5)6/h3,6H,1H2InChIKey=KGWBYZTXTBFTQT-UHFFFAOYSA-N149.0Ex 148.98(BP est) -17.61(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Br)=C -17.6Pred
BrC1(CF)C[Se]116266217.927C3H4BrFSe2-bromo-2-(fluoromethyl)seleniraneN106BrC1(CF)C[Se]1InChI=1S/C3H4BrFSe/c4-3(1-5)2-6-3/h1-2H2InChIKey=SRVQXASJVICFNK-UHFFFAOYSA-N157.9Ex 157.94(BP est) 14.86(MP est) ----(BP exp) ----(MP exp) BrC1(CF)C[Se]1 14.9Pred
BrC1(F)C(C)[Se]116267217.927C3H4BrFSe2-bromo-2-fluoro-3-methylseleniraneN106BrC1(F)C(C)[Se]1InChI=1S/C3H4BrFSe/c1-2-3(4,5)6-2/h2H,1H3InChIKey=KXTXQJFUQUQQGU-UHFFFAOYSA-N151.6Ex 151.60(BP est) 10.89(MP est) ----(BP exp) ----(MP exp) BrC1(F)C(C)[Se]1 10.9Pred
[SeH]C1C(F)(Br)C116268217.927C3H4BrFSe2-bromo-2-fluorocyclopropane-1-selenolN106[Se]([H])C1C(F)(Br)C1InChI=1S/C3H4BrFSe/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=MCZKRVHOTIRAHB-UHFFFAOYSA-N155.6Ex 155.64(BP est) 18.49(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)(Br)C1 18.5Pred
BrC1(F)[Se]CC116269217.927C3H4BrFSe2-bromo-2-fluoroselenetaneN106BrC1(F)[Se]CC1InChI=1S/C3H4BrFSe/c4-3(5)1-2-6-3/h1-2H2InChIKey=AATVHUOCLAFBEQ-UHFFFAOYSA-N159.9Ex 159.93(BP est) 13.68(MP est) ----(BP exp) ----(MP exp) BrC1(F)[Se]CC1 13.7Pred
BrC1C(CF)[Se]116270217.927C3H4BrFSe2-bromo-3-(fluoromethyl)seleniraneN106BrC1C(CF)[Se]1InChI=1S/C3H4BrFSe/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=YDVNSFSOIRBABC-UHFFFAOYSA-N163.1Ex 163.08(BP est) 2.29(MP est) ----(BP exp) ----(MP exp) BrC1C(CF)[Se]1 2.3Pred
FC1C(C)(Br)[Se]116271217.927C3H4BrFSe2-bromo-3-fluoro-2-methylseleniraneN106FC1C(C)(Br)[Se]1InChI=1S/C3H4BrFSe/c1-3(4)2(5)6-3/h2H,1H3InChIKey=YXMSSPSEYDYDJK-UHFFFAOYSA-N151.6Ex 151.60(BP est) 10.89(MP est) ----(BP exp) ----(MP exp) FC1C(C)(Br)[Se]1 10.9Pred
[SeH]C1C(F)C1Br16272217.927C3H4BrFSe2-bromo-3-fluorocyclopropane-1-selenolN106[Se]([H])C1C(F)C1BrInChI=1S/C3H4BrFSe/c4-1-2(5)3(1)6/h1-3,6HInChIKey=DQBOXYWZTGQIFV-UHFFFAOYSA-N160.8Ex 160.80(BP est) 5.93(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)C1Br 5.9Pred
[SeH]CC(Br)=CF16273217.927C3H4BrFSe2-bromo-3-fluoroprop-2-ene-1-selenolN106[Se]([H])CC(Br)=CFInChI=1S/C3H4BrFSe/c4-3(1-5)2-6/h1,6H,2H2InChIKey=QSGXPFSCIQOWNI-UHFFFAOYSA-N170.3Ex 170.33(BP est) -5.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)=CF -5.5Pred
BrC1[Se]CC1F16274217.927C3H4BrFSe2-bromo-3-fluoroselenetaneN106BrC1[Se]CC1FInChI=1S/C3H4BrFSe/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=CBFQVFDJURXBMG-UHFFFAOYSA-N165.1Ex 165.05(BP est) 1.11(MP est) ----(BP exp) ----(MP exp) BrC1[Se]CC1F 1.1Pred
BrC1CC(F)[Se]116275217.927C3H4BrFSe2-bromo-4-fluoroselenetaneN106BrC1CC(F)[Se]1InChI=1S/C3H4BrFSe/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=KFFIOUCXUXXUDB-UHFFFAOYSA-N165.1Ex 165.05(BP est) 1.11(MP est) ----(BP exp) ----(MP exp) BrC1CC(F)[Se]1 1.1Pred
[SeH]C(F)C=CBr16276217.927C3H4BrFSe3-bromo-1-fluoroprop-2-ene-1-selenolN106[Se]([H])C(F)C=CBrInChI=1S/C3H4BrFSe/c4-2-1-3(5)6/h1-3,6HInChIKey=ZCALVRJBSQWODN-UHFFFAOYSA-N163.3Ex 163.28(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C=CBr -8.1Pred
BrC1C(C)(F)[Se]116277217.927C3H4BrFSe3-bromo-2-fluoro-2-methylseleniraneN106BrC1C(C)(F)[Se]1InChI=1S/C3H4BrFSe/c1-3(5)2(4)6-3/h2H,1H3InChIKey=KNIXBLKCQKRWCJ-UHFFFAOYSA-N151.6Ex 151.60(BP est) 10.89(MP est) ----(BP exp) ----(MP exp) BrC1C(C)(F)[Se]1 10.9Pred
[SeH]CC(F)=CBr16278217.927C3H4BrFSe3-bromo-2-fluoroprop-2-ene-1-selenolN106[Se]([H])CC(F)=CBrInChI=1S/C3H4BrFSe/c4-1-3(5)2-6/h1,6H,2H2InChIKey=RUVZBVNPQBHWEO-UHFFFAOYSA-N170.3Ex 170.33(BP est) -5.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)=CBr -5.5Pred
FC1[Se]CC1Br16279217.927C3H4BrFSe3-bromo-2-fluoroselenetaneN106FC1[Se]CC1BrInChI=1S/C3H4BrFSe/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=ZHLKWGQMECKIIF-UHFFFAOYSA-N165.1Ex 165.05(BP est) 1.11(MP est) ----(BP exp) ----(MP exp) FC1[Se]CC1Br 1.1Pred
[SeH]CC=C(Br)F16280217.927C3H4BrFSe3-bromo-3-fluoroprop-2-ene-1-selenolN106[Se]([H])CC=C(Br)FInChI=1S/C3H4BrFSe/c4-3(5)1-2-6/h1,6H,2H2InChIKey=WQKVKHRVTLVFSB-UHFFFAOYSA-N170.3Ex 170.33(BP est) -5.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(Br)F -5.5Pred
BrC1(F)C[Se]C116281217.927C3H4BrFSe3-bromo-3-fluoroselenetaneN106BrC1(F)C[Se]C1InChI=1S/C3H4BrFSe/c4-3(5)1-6-2-3/h1-2H2InChIKey=AZYXEOUWWNKTOZ-UHFFFAOYSA-N159.9Ex 159.93(BP est) 13.68(MP est) ----(BP exp) ----(MP exp) BrC1(F)C[Se]C1 13.7Pred
[Se]=CBr16283171.883CHBrSemethaneselenoyl bromideN43[Se]=CBrInChI=1S/CHBrSe/c2-1-3/h1HInChIKey=ZEYAALIJFMPDEV-UHFFFAOYSA-N126.6Ex 126.57(BP est) -21.63(MP est) ----(BP exp) ----(MP exp) [Se]=CBr -21.6Pred
C[Se]C(C)(Br)F16284219.943C3H6BrFSe(1-bromo-1-fluoroethyl)(methyl)selaneN126C[Se]C(C)(Br)FInChI=1S/C3H6BrFSe/c1-3(4,5)6-2/h1-2H3InChIKey=RGEWTYDMRKNEKL-UHFFFAOYSA-N145.9Ex 145.85(BP est) -10.14(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(Br)F -10.1Pred
C[Se]C(Br)CF16285219.943C3H6BrFSe(1-bromo-2-fluoroethyl)(methyl)selaneN126C[Se]C(Br)CFInChI=1S/C3H6BrFSe/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=ULKWXVYZAROBFK-UHFFFAOYSA-N154.6Ex 154.59(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)CF -16.3Pred
FC[Se]C(Br)C16286219.943C3H6BrFSe(1-bromoethyl)(fluoromethyl)selaneN126FC[Se]C(Br)CInChI=1S/C3H6BrFSe/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=RCWXNDNNSQKEPR-UHFFFAOYSA-N154.6Ex 154.59(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Br)C -16.3Pred
C[Se]C(F)CBr16287219.943C3H6BrFSe(2-bromo-1-fluoroethyl)(methyl)selaneN126C[Se]C(F)CBrInChI=1S/C3H6BrFSe/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=PVOQUZWMLVQNQW-UHFFFAOYSA-N154.6Ex 154.59(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)CBr -16.3Pred
C[Se]CC(Br)F16288219.943C3H6BrFSe(2-bromo-2-fluoroethyl)(methyl)selaneN126C[Se]CC(Br)FInChI=1S/C3H6BrFSe/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=JFVCLDPKPUZQAW-UHFFFAOYSA-N154.6Ex 154.59(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Br)F -16.3Pred
FC[Se]CCBr16289219.943C3H6BrFSe(2-bromoethyl)(fluoromethyl)selaneN126FC[Se]CCBrInChI=1S/C3H6BrFSe/c4-1-2-6-3-5/h1-3H2InChIKey=FPOQOVJFDVGZPB-UHFFFAOYSA-N167.6Ex 167.61(BP est) -5.00(MP est) ----(BP exp) ----(MP exp) FC[Se]CCBr -5Pred
BrC(F)[Se]CC16290219.943C3H6BrFSe(bromofluoromethyl)(ethyl)selaneN126BrC(F)[Se]CCInChI=1S/C3H6BrFSe/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=KOCYHQJHMMAEJK-UHFFFAOYSA-N154.6Ex 154.59(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) BrC(F)[Se]CC -16.3Pred
BrC[Se]C(F)C16291219.943C3H6BrFSe(bromomethyl)(1-fluoroethyl)selaneN126BrC[Se]C(F)CInChI=1S/C3H6BrFSe/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=IOMXUJSJPVJHIX-UHFFFAOYSA-N154.6Ex 154.59(BP est) -16.30(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(F)C -16.3Pred
BrC[Se]CCF16292219.943C3H6BrFSe(bromomethyl)(2-fluoroethyl)selaneN126BrC[Se]CCFInChI=1S/C3H6BrFSe/c4-3-6-2-1-5/h1-3H2InChIKey=QPLIDPGEDUXUGG-UHFFFAOYSA-N167.6Ex 167.61(BP est) -5.00(MP est) ----(BP exp) ----(MP exp) BrC[Se]CCF -5Pred
[SeH]C(CC)(Br)F16293219.943C3H6BrFSe1-bromo-1-fluoropropane-1-selenolN126[Se]([H])C(CC)(Br)FInChI=1S/C3H6BrFSe/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=RVYBOXFEHPXKHF-UHFFFAOYSA-N147.9Ex 147.90(BP est) -1.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(Br)F -1.4Pred
[SeH]C(C)C(Br)F16294219.943C3H6BrFSe1-bromo-1-fluoropropane-2-selenolN126[Se]([H])C(C)C(Br)FInChI=1S/C3H6BrFSe/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=XKSUYKCUWHMCDY-UHFFFAOYSA-N143.3Ex 143.31(BP est) -18.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(Br)F -18.9Pred
[SeH]C(Br)C(F)C16295219.943C3H6BrFSe1-bromo-2-fluoropropane-1-selenolN126[Se]([H])C(Br)C(F)CInChI=1S/C3H6BrFSe/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=CLUPMNBVRZLYIC-UHFFFAOYSA-N143.3Ex 143.31(BP est) -18.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(F)C -18.9Pred
[SeH]C(CBr)(F)C16296219.943C3H6BrFSe1-bromo-2-fluoropropane-2-selenolN126[Se]([H])C(CBr)(F)CInChI=1S/C3H6BrFSe/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=ZDSVOIBGXDNSPO-UHFFFAOYSA-N147.9Ex 147.90(BP est) -1.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(F)C -1.4Pred
[SeH]C(Br)CCF16297219.943C3H6BrFSe1-bromo-3-fluoropropane-1-selenolN126[Se]([H])C(Br)CCFInChI=1S/C3H6BrFSe/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=WSISVBFZJNOHRA-UHFFFAOYSA-N156.6Ex 156.61(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CCF -7.5Pred
[SeH]C(CBr)CF16298219.943C3H6BrFSe1-bromo-3-fluoropropane-2-selenolN126[Se]([H])C(CBr)CFInChI=1S/C3H6BrFSe/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=VERYMULPIKDPMV-UHFFFAOYSA-N156.6Ex 156.61(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)CF -7.5Pred
[SeH]C(F)C(Br)C16299219.943C3H6BrFSe2-bromo-1-fluoropropane-1-selenolN126[Se]([H])C(F)C(Br)CInChI=1S/C3H6BrFSe/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=VIZYAAPTRDZLDZ-UHFFFAOYSA-N143.3Ex 143.31(BP est) -18.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Br)C -18.9Pred
[SeH]C(CF)(Br)C16300219.943C3H6BrFSe2-bromo-1-fluoropropane-2-selenolN126[Se]([H])C(CF)(Br)CInChI=1S/C3H6BrFSe/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=WXTBFJLJQNOGSO-UHFFFAOYSA-N147.9Ex 147.90(BP est) -1.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Br)C -1.4Pred
[SeH]CC(C)(Br)F16301219.943C3H6BrFSe2-bromo-2-fluoropropane-1-selenolN126[Se]([H])CC(C)(Br)FInChI=1S/C3H6BrFSe/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=GUZUUPIXELPZNU-UHFFFAOYSA-N147.9Ex 147.90(BP est) -1.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(Br)F -1.4Pred
[SeH]CC(Br)CF16302219.943C3H6BrFSe2-bromo-3-fluoropropane-1-selenolN126[Se]([H])CC(Br)CFInChI=1S/C3H6BrFSe/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=XIWMYVVMVJAPER-UHFFFAOYSA-N156.6Ex 156.61(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)CF -7.5Pred
[SeH]C(F)CCBr16303219.943C3H6BrFSe3-bromo-1-fluoropropane-1-selenolN126[Se]([H])C(F)CCBrInChI=1S/C3H6BrFSe/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=NIWQCNLBQXVQDV-UHFFFAOYSA-N156.6Ex 156.61(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CCBr -7.5Pred
[SeH]CC(F)CBr16304219.943C3H6BrFSe3-bromo-2-fluoropropane-1-selenolN126[Se]([H])CC(F)CBrInChI=1S/C3H6BrFSe/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=MWCYEYOMPJBGMS-UHFFFAOYSA-N156.6Ex 156.61(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)CBr -7.5Pred
[SeH]CCC(Br)F16305219.943C3H6BrFSe3-bromo-3-fluoropropane-1-selenolN126[Se]([H])CCC(Br)FInChI=1S/C3H6BrFSe/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=GVOKORMKHMIAFE-UHFFFAOYSA-N156.6Ex 156.61(BP est) -7.52(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Br)F -7.5Pred
C[Se][Se]CBr16306266.886C2H5BrSe21-(bromomethyl)-2-methyldiselaneN105C[Se][Se]CBrInChI=1S/C2H5BrSe2/c1-4-5-2-3/h2H2,1H3InChIKey=SHVRDVGHJMOJDC-UHFFFAOYSA-N222.0Ex 221.97(BP est) 40.28(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CBr 40.3Pred
BrC1(Cl)C[Se]116309220.352C2H2BrClSe2-bromo-2-chloroseleniraneN75BrC1(Cl)C[Se]1InChI=1S/C2H2BrClSe/c3-2(4)1-5-2/h1H2InChIKey=BVBHMTLNRGFFAO-UHFFFAOYSA-N168.5Ex 168.49(BP est) 26.97(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C[Se]1 27Pred
ClC1C(Br)[Se]116310220.352C2H2BrClSe2-bromo-3-chloroseleniraneN75ClC1C(Br)[Se]1InChI=1S/C2H2BrClSe/c3-1-2(4)5-1/h1-2HInChIKey=GIQZHVOCUSYGEY-UHFFFAOYSA-N184.9Ex 184.87(BP est) 17.68(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)[Se]1 17.7Pred
[SeH]CI16311220.899CH3ISeiodomethaneselenolN63[Se]([H])CIInChI=1S/CH3ISe/c2-1-3/h3H,1H2InChIKey=DGUMHXDHIJMJLQ-UHFFFAOYSA-N155.9Ex 155.87(BP est) -12.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])CI -12.7Pred
FC1C(F)(Br)[Se]116312221.891C2HBrF2Se2-bromo-2,3-difluoroseleniraneN76FC1C(F)(Br)[Se]1InChI=1S/C2HBrF2Se/c3-2(5)1(4)6-2/h1HInChIKey=JMBPYNPQJNHTHF-UHFFFAOYSA-N131.4Ex 131.39(BP est) -0.35(MP est) ----(BP exp) ----(MP exp) FC1C(F)(Br)[Se]1 -0.4Pred
BrC1C(F)(F)[Se]116313221.891C2HBrF2Se3-bromo-2,2-difluoroseleniraneN76BrC1C(F)(F)[Se]1InChI=1S/C2HBrF2Se/c3-1-2(4,5)6-1/h1HInChIKey=HSLDNIQHGVIDBE-UHFFFAOYSA-N131.4Ex 131.39(BP est) -0.35(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(F)[Se]1 -0.4Pred
C[Se]C(Cl)Br16314222.368C2H4BrClSe(bromochloromethyl)(methyl)selaneN95C[Se]C(Cl)BrInChI=1S/C2H4BrClSe/c1-5-2(3)4/h2H,1H3InChIKey=PSKJHRLJLQURFN-UHFFFAOYSA-N176.7Ex 176.74(BP est) -0.80(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)Br -0.8Pred
ClC[Se]CBr16315222.368C2H4BrClSe(bromomethyl)(chloromethyl)selaneN95ClC[Se]CBrInChI=1S/C2H4BrClSe/c3-1-5-2-4/h1-2H2InChIKey=CKGCNMQHZIVTHQ-UHFFFAOYSA-N200.2Ex 200.20(BP est) 13.55(MP est) ----(BP exp) ----(MP exp) ClC[Se]CBr 13.6Pred
[SeH]C(Br)(Cl)C16316222.368C2H4BrClSe1-bromo-1-chloroethane-1-selenolN95[Se]([H])C(Br)(Cl)CInChI=1S/C2H4BrClSe/c1-2(3,4)5/h5H,1H3InChIKey=FLGYLMANUIMALB-UHFFFAOYSA-N158.7Ex 158.66(BP est) 10.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)(Cl)C 10.8Pred
[SeH]C(Br)CCl16317222.368C2H4BrClSe1-bromo-2-chloroethane-1-selenolN95[Se]([H])C(Br)CClInChI=1S/C2H4BrClSe/c3-2(5)1-4/h2,5H,1H2InChIKey=KOZGQVKZRAITFP-UHFFFAOYSA-N189.9Ex 189.92(BP est) 11.23(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CCl 11.2Pred
[SeH]C(Cl)CBr16318222.368C2H4BrClSe2-bromo-1-chloroethane-1-selenolN95[Se]([H])C(Cl)CBrInChI=1S/C2H4BrClSe/c3-1-2(4)5/h2,5H,1H2InChIKey=NSOQSTKOMJRDMJ-UHFFFAOYSA-N178.7Ex 178.67(BP est) 7.95(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)CBr 8Pred
[SeH]CC(Br)Cl16319222.368C2H4BrClSe2-bromo-2-chloroethane-1-selenolN95[Se]([H])CC(Br)ClInChI=1S/C2H4BrClSe/c3-2(4)1-5/h2,5H,1H2InChIKey=BMELRQJEZPZULH-UHFFFAOYSA-N178.7Ex 178.67(BP est) 7.95(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)Cl 8Pred
CCP(F)(F)=[Se]16320176.993C2H5F2PSeethylphosphonoselenoic difluorideN116CCP(F)(F)=[Se]InChI=1S/C2H5F2PSe/c1-2-5(3,4)6/h2H2,1H3InChIKey=FGFBZKXDBKCMMK-UHFFFAOYSA-N113.1Ex 113.10(BP est) -49.34(MP est) ----(BP exp) ----(MP exp) CCP(F)(F)=[Se] -49.3Pred
C[Se]C(F)(Br)F16321223.907C2H3BrF2Se(bromodifluoromethyl)(methyl)selaneN96C[Se]C(F)(Br)FInChI=1S/C2H3BrF2Se/c1-6-2(3,4)5/h1H3InChIKey=RFCRLYYIZVETFI-UHFFFAOYSA-N125.4Ex 125.42(BP est) -21.44(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)(Br)F -21.4Pred
FC[Se]C(Br)F16322223.907C2H3BrF2Se(bromofluoromethyl)(fluoromethyl)selaneN96FC[Se]C(Br)FInChI=1S/C2H3BrF2Se/c3-2(5)6-1-4/h2H,1H2InChIKey=JDFPYLAMOBMRMQ-UHFFFAOYSA-N134.5Ex 134.49(BP est) -27.51(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Br)F -27.5Pred
BrC[Se]C(F)F16323223.907C2H3BrF2Se(bromomethyl)(difluoromethyl)selaneN96BrC[Se]C(F)FInChI=1S/C2H3BrF2Se/c3-1-6-2(4)5/h2H,1H2InChIKey=JXBJVGASURQLQP-UHFFFAOYSA-N134.5Ex 134.49(BP est) -27.51(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(F)F -27.5Pred
[SeH]C(CF)(Br)F16324223.907C2H3BrF2Se1-bromo-1,2-difluoroethane-1-selenolN96[Se]([H])C(CF)(Br)FInChI=1S/C2H3BrF2Se/c3-2(5,6)1-4/h6H,1H2InChIKey=ZYSNCWYJIZGLEA-UHFFFAOYSA-N127.6Ex 127.55(BP est) -12.64(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Br)F -12.6Pred
[SeH]C(Br)C(F)F16325223.907C2H3BrF2Se1-bromo-2,2-difluoroethane-1-selenolN96[Se]([H])C(Br)C(F)FInChI=1S/C2H3BrF2Se/c3-1(6)2(4)5/h1-2,6HInChIKey=IZAVTCJFAIOUKF-UHFFFAOYSA-N122.8Ex 122.79(BP est) -30.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(F)F -30.2Pred
[SeH]C(CBr)(F)F16326223.907C2H3BrF2Se2-bromo-1,1-difluoroethane-1-selenolN96[Se]([H])C(CBr)(F)FInChI=1S/C2H3BrF2Se/c3-1-2(4,5)6/h6H,1H2InChIKey=RWQNMMDQAWXLEF-UHFFFAOYSA-N127.6Ex 127.55(BP est) -12.64(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(F)F -12.6Pred
[SeH]C(F)C(Br)F16327223.907C2H3BrF2Se2-bromo-1,2-difluoroethane-1-selenolN96[Se]([H])C(F)C(Br)FInChI=1S/C2H3BrF2Se/c3-1(4)2(5)6/h1-2,6HInChIKey=CFRPYHXBMHEWJI-UHFFFAOYSA-N122.8Ex 122.79(BP est) -30.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Br)F -30.2Pred
[SeH]CC(F)(Br)F16328223.907C2H3BrF2Se2-bromo-2,2-difluoroethane-1-selenolN96[Se]([H])CC(F)(Br)FInChI=1S/C2H3BrF2Se/c3-2(4,5)1-6/h6H,1H2InChIKey=KWHNOKHFPLGVJK-UHFFFAOYSA-N127.6Ex 127.55(BP est) -12.64(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)(Br)F -12.6Pred
[SeH]C(F)(Br)Cl16329226.331CHBrClFSebromochlorofluoromethaneselenolN65[Se]([H])C(F)(Br)ClInChI=1S/CHBrClFSe/c2-1(3,4)5/h5HInChIKey=OCMHRNUITBXGQQ-UHFFFAOYSA-N138.7Ex 138.70(BP est) -0.35(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)(Br)Cl -0.4Pred
[SeH]C(C#C)(Br)Cl16330232.363C3H2BrClSe1-bromo-1-chloroprop-2-yne-1-selenolN86[Se]([H])C(C#C)(Br)ClInChI=1S/C3H2BrClSe/c1-2-3(4,5)6/h1,6HInChIKey=MDFCVLCMMDMDAW-UHFFFAOYSA-N187.2Ex 187.16(BP est) 21.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(Br)Cl 21.9Pred
[SeH]C(Br)C#CCl16331232.363C3H2BrClSe1-bromo-3-chloroprop-2-yne-1-selenolN86[Se]([H])C(Br)C#CClInChI=1S/C3H2BrClSe/c4-3(6)1-2-5/h3,6HInChIKey=VJHKUZMMPUGGMQ-UHFFFAOYSA-N200.9Ex 200.89(BP est) 38.38(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C#CCl 38.4Pred
[SeH]C(Cl)C#CBr16332232.363C3H2BrClSe3-bromo-1-chloroprop-2-yne-1-selenolN86[Se]([H])C(Cl)C#CBrInChI=1S/C3H2BrClSe/c4-2-1-3(5)6/h3,6HInChIKey=NXTWLELJTVQPMQ-UHFFFAOYSA-N213.3Ex 213.29(BP est) 43.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C#CBr 43.8Pred
IC1C[Se]116333232.91C2H3ISe2-iodoseleniraneN74IC1C[Se]1InChI=1S/C2H3ISe/c3-2-1-4-2/h2H,1H2InChIKey=BSLOIZBUCUARJE-UHFFFAOYSA-N177.0Ex 176.95(BP est) 1.66(MP est) ----(BP exp) ----(MP exp) IC1C[Se]1 1.7Pred
C[Se]C[Se]CBr16334280.913C3H7BrSe2(bromomethyl)((methylselanyl)methyl)selaneN136C[Se]C[Se]CBrInChI=1S/C3H7BrSe2/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=SMNJYHOGJMBFDI-UHFFFAOYSA-N240.4Ex 240.41(BP est) 51.21(MP est) ----(BP exp) ----(MP exp) C[Se]C[Se]CBr 51.2Pred
C[Se]C(Br)[Se]C16335280.913C3H7BrSe2(bromomethylene)bis(methylselane)N136C[Se]C(Br)[Se]CInChI=1S/C3H7BrSe2/c1-5-3(4)6-2/h3H,1-2H3InChIKey=KCWAAQPNZZNITG-UHFFFAOYSA-N229.4Ex 229.40(BP est) 41.93(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)[Se]C 41.9Pred
C[Se][Se]C(Br)C16336280.913C3H7BrSe21-(1-bromoethyl)-2-methyldiselaneN136C[Se][Se]C(Br)CInChI=1S/C3H7BrSe2/c1-3(4)6-5-2/h3H,1-2H3InChIKey=JMQZBJCPPJODBY-UHFFFAOYSA-N229.4Ex 229.40(BP est) 41.93(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(Br)C 41.9Pred
C[Se][Se]CCBr16337280.913C3H7BrSe21-(2-bromoethyl)-2-methyldiselaneN136C[Se][Se]CCBrInChI=1S/C3H7BrSe2/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=VHQHEXFOFDCKCK-UHFFFAOYSA-N240.4Ex 240.41(BP est) 51.21(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CCBr 51.2Pred
BrC[Se][Se]CC16338280.913C3H7BrSe21-(bromomethyl)-2-ethyldiselaneN136BrC[Se][Se]CCInChI=1S/C3H7BrSe2/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=YCVHSMQMBLCRBG-UHFFFAOYSA-N240.4Ex 240.41(BP est) 51.21(MP est) ----(BP exp) ----(MP exp) BrC[Se][Se]CC 51.2Pred
C[Se]C(Br)=CCl16339234.379C3H4BrClSe(1-bromo-2-chlorovinyl)(methyl)selaneN106C[Se]C(Br)=CClInChI=1S/C3H4BrClSe/c1-6-3(4)2-5/h2H,1H3InChIKey=RGGRFCBBZLZDSO-UHFFFAOYSA-N197.3Ex 197.33(BP est) 8.82(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)=CCl 8.8Pred
ClC[Se]C(Br)=C16340234.379C3H4BrClSe(1-bromovinyl)(chloromethyl)selaneN106ClC[Se]C(Br)=CInChI=1S/C3H4BrClSe/c1-3(4)6-2-5/h1-2H2InChIKey=WFOHEOBMBYNCQP-UHFFFAOYSA-N213.0Ex 212.99(BP est) 15.06(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Br)=C 15.1Pred
C[Se]C(Cl)=CBr16341234.379C3H4BrClSe(2-bromo-1-chlorovinyl)(methyl)selaneN106C[Se]C(Cl)=CBrInChI=1S/C3H4BrClSe/c1-6-3(5)2-4/h2H,1H3InChIKey=GKDLBCJVTPEGEB-UHFFFAOYSA-N197.3Ex 197.33(BP est) 8.82(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)=CBr 8.8Pred
C[Se]C=C(Br)Cl16342234.379C3H4BrClSe(2-bromo-2-chlorovinyl)(methyl)selaneN106C[Se]C=C(Br)ClInChI=1S/C3H4BrClSe/c1-6-2-3(4)5/h2H,1H3InChIKey=RVBHKNWZTGWZNU-UHFFFAOYSA-N197.3Ex 197.33(BP est) 8.82(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(Br)Cl 8.8Pred
ClC[Se]C=CBr16343234.379C3H4BrClSe(2-bromovinyl)(chloromethyl)selaneN106ClC[Se]C=CBrInChI=1S/C3H4BrClSe/c4-1-2-6-3-5/h1-2H,3H2InChIKey=CYSZHCSCIAIOJS-UHFFFAOYSA-N225.5Ex 225.46(BP est) 24.02(MP est) ----(BP exp) ----(MP exp) ClC[Se]C=CBr 24Pred
BrC(Cl)[Se]C=C16344234.379C3H4BrClSe(bromochloromethyl)(vinyl)selaneN106BrC(Cl)[Se]C=CInChI=1S/C3H4BrClSe/c1-2-6-3(4)5/h2-3H,1H2InChIKey=PWBOKPJZRGWNAL-UHFFFAOYSA-N195.7Ex 195.73(BP est) 9.50(MP est) ----(BP exp) ----(MP exp) BrC(Cl)[Se]C=C 9.5Pred
BrC[Se]C(Cl)=C16345234.379C3H4BrClSe(bromomethyl)(1-chlorovinyl)selaneN106BrC[Se]C(Cl)=CInChI=1S/C3H4BrClSe/c1-3(5)6-2-4/h1-2H2InChIKey=TVDNUSOUMRQOLB-UHFFFAOYSA-N189.6Ex 189.59(BP est) 8.23(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Cl)=C 8.2Pred
BrC[Se]C=CCl16346234.379C3H4BrClSe(bromomethyl)(2-chlorovinyl)selaneN106BrC[Se]C=CClInChI=1S/C3H4BrClSe/c4-3-6-2-1-5/h1-2H,3H2InChIKey=GCIJXNGXLOLJTC-UHFFFAOYSA-N202.8Ex 202.76(BP est) 17.39(MP est) ----(BP exp) ----(MP exp) BrC[Se]C=CCl 17.4Pred
[SeH]C(C=C)(Br)Cl16347234.379C3H4BrClSe1-bromo-1-chloroprop-2-ene-1-selenolN106[Se]([H])C(C=C)(Br)ClInChI=1S/C3H4BrClSe/c1-2-3(4,5)6/h2,6H,1H2InChIKey=LYPLKLTYOXFFSC-UHFFFAOYSA-N178.4Ex 178.35(BP est) 21.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(Br)Cl 21.3Pred
[SeH]C1(Br)C(Cl)C116348234.379C3H4BrClSe1-bromo-2-chlorocyclopropane-1-selenolN106[Se]([H])C1(Br)C(Cl)C1InChI=1S/C3H4BrClSe/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=ZZGMNGIRBFWMIK-UHFFFAOYSA-N198.2Ex 198.19(BP est) 23.82(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Br)C(Cl)C1 23.8Pred
[SeH]C(Br)C(Cl)=C16349234.379C3H4BrClSe1-bromo-2-chloroprop-2-ene-1-selenolN106[Se]([H])C(Br)C(Cl)=CInChI=1S/C3H4BrClSe/c1-2(5)3(4)6/h3,6H,1H2InChIKey=HJIXGJIKQUUSBN-UHFFFAOYSA-N179.1Ex 179.08(BP est) 5.84(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(Cl)=C 5.8Pred
[SeH]C(Br)C=CCl16350234.379C3H4BrClSe1-bromo-3-chloroprop-2-ene-1-selenolN106[Se]([H])C(Br)C=CClInChI=1S/C3H4BrClSe/c4-3(6)1-2-5/h1-3,6HInChIKey=LQZHMJZILJHLMM-UHFFFAOYSA-N192.6Ex 192.55(BP est) 15.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C=CCl 15.1Pred
BrC(Cl)C1C[Se]116351234.379C3H4BrClSe2-(bromochloromethyl)seleniraneN106BrC(Cl)C1C[Se]1InChI=1S/C3H4BrClSe/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=GBBCJTVUZKNPNG-UHFFFAOYSA-N198.8Ex 198.80(BP est) 22.00(MP est) ----(BP exp) ----(MP exp) BrC(Cl)C1C[Se]1 22Pred
ClC1(CBr)C[Se]116352234.379C3H4BrClSe2-(bromomethyl)-2-chloroseleniraneN106ClC1(CBr)C[Se]1InChI=1S/C3H4BrClSe/c4-1-3(5)2-6-3/h1-2H2InChIKey=LCCCHIPDKARRGM-UHFFFAOYSA-N189.3Ex 189.33(BP est) 17.79(MP est) ----(BP exp) ----(MP exp) ClC1(CBr)C[Se]1 17.8Pred
ClC1C(CBr)[Se]116353234.379C3H4BrClSe2-(bromomethyl)-3-chloroseleniraneN106ClC1C(CBr)[Se]1InChI=1S/C3H4BrClSe/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=ZREKDNQOLKRHRS-UHFFFAOYSA-N205.0Ex 205.00(BP est) 29.19(MP est) ----(BP exp) ----(MP exp) ClC1C(CBr)[Se]1 29.2Pred
[SeH]C1(Cl)C(Br)C116354234.379C3H4BrClSe2-bromo-1-chlorocyclopropane-1-selenolN106[Se]([H])C1(Cl)C(Br)C1InChI=1S/C3H4BrClSe/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=TVRIOMYVTLCNNO-UHFFFAOYSA-N187.2Ex 187.17(BP est) 19.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Cl)C(Br)C1 19Pred
[SeH]C(Cl)C(Br)=C16355234.379C3H4BrClSe2-bromo-1-chloroprop-2-ene-1-selenolN106[Se]([H])C(Cl)C(Br)=CInChI=1S/C3H4BrClSe/c1-2(4)3(5)6/h3,6H,1H2InChIKey=DCUWPSRSOZWKMN-UHFFFAOYSA-N192.1Ex 192.09(BP est) 9.64(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(Br)=C 9.6Pred
BrC1(CCl)C[Se]116356234.379C3H4BrClSe2-bromo-2-(chloromethyl)seleniraneN106BrC1(CCl)C[Se]1InChI=1S/C3H4BrClSe/c4-3(1-5)2-6-3/h1-2H2InChIKey=BMWPWFVJXHGKOH-UHFFFAOYSA-N211.0Ex 211.02(BP est) 33.20(MP est) ----(BP exp) ----(MP exp) BrC1(CCl)C[Se]1 33.2Pred
BrC1(Cl)C(C)[Se]116357234.379C3H4BrClSe2-bromo-2-chloro-3-methylseleniraneN106BrC1(Cl)C(C)[Se]1InChI=1S/C3H4BrClSe/c1-2-3(4,5)6-2/h2H,1H3InChIKey=ILHDBAXTCQSFPR-UHFFFAOYSA-N183.4Ex 183.39(BP est) 14.13(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C(C)[Se]1 14.1Pred
[SeH]C1C(Cl)(Br)C116358234.379C3H4BrClSe2-bromo-2-chlorocyclopropane-1-selenolN106[Se]([H])C1C(Cl)(Br)C1InChI=1S/C3H4BrClSe/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=ZHMXXDNFFBFFDO-UHFFFAOYSA-N187.2Ex 187.17(BP est) 19.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Cl)(Br)C1 19Pred
BrC1(Cl)[Se]CC116359234.379C3H4BrClSe2-bromo-2-chloroselenetaneN106BrC1(Cl)[Se]CC1InChI=1S/C3H4BrClSe/c4-3(5)1-2-6-3/h1-2H2InChIKey=SZZLYUQDJWPGBL-UHFFFAOYSA-N191.2Ex 191.20(BP est) 24.31(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)[Se]CC1 24.3Pred
BrC1C(CCl)[Se]116360234.379C3H4BrClSe2-bromo-3-(chloromethyl)seleniraneN106BrC1C(CCl)[Se]1InChI=1S/C3H4BrClSe/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=RQOVVUQAIYCSBX-UHFFFAOYSA-N215.6Ex 215.61(BP est) 25.61(MP est) ----(BP exp) ----(MP exp) BrC1C(CCl)[Se]1 25.6Pred
ClC1C(C)(Br)[Se]116361234.379C3H4BrClSe2-bromo-3-chloro-2-methylseleniraneN106ClC1C(C)(Br)[Se]1InChI=1S/C3H4BrClSe/c1-3(4)2(5)6-3/h2H,1H3InChIKey=NWKJYAHJFXTBKB-UHFFFAOYSA-N194.5Ex 194.49(BP est) 25.35(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(Br)[Se]1 25.4Pred
[SeH]C1C(Br)C1Cl16362234.379C3H4BrClSe2-bromo-3-chlorocyclopropane-1-selenolN106[Se]([H])C1C(Br)C1ClInChI=1S/C3H4BrClSe/c4-1-2(5)3(1)6/h1-3,6HInChIKey=JAQWCSKRXSVKMZ-UHFFFAOYSA-N202.9Ex 202.92(BP est) 23.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Br)C1Cl 23.5Pred
[SeH]CC(Br)=CCl16363234.379C3H4BrClSe2-bromo-3-chloroprop-2-ene-1-selenolN106[Se]([H])CC(Br)=CClInChI=1S/C3H4BrClSe/c4-3(1-5)2-6/h1,6H,2H2InChIKey=XEZNMVLLBMAUGW-UHFFFAOYSA-N199.2Ex 199.18(BP est) 17.55(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)=CCl 17.6Pred
BrC1[Se]CC1Cl16364234.379C3H4BrClSe2-bromo-3-chloroselenetaneN106BrC1[Se]CC1ClInChI=1S/C3H4BrClSe/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=ZOUFNLDCLAHVRT-UHFFFAOYSA-N206.8Ex 206.80(BP est) 27.96(MP est) ----(BP exp) ----(MP exp) BrC1[Se]CC1Cl 28Pred
ClC1CC(Br)[Se]116365234.379C3H4BrClSe2-bromo-4-chloroselenetaneN106ClC1CC(Br)[Se]1InChI=1S/C3H4BrClSe/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=PPEXQUBVCIXUAO-UHFFFAOYSA-N206.8Ex 206.80(BP est) 27.96(MP est) ----(BP exp) ----(MP exp) ClC1CC(Br)[Se]1 28Pred
[SeH]C(Cl)C=CBr16366234.379C3H4BrClSe3-bromo-1-chloroprop-2-ene-1-selenolN106[Se]([H])C(Cl)C=CBrInChI=1S/C3H4BrClSe/c4-2-1-3(5)6/h1-3,6HInChIKey=ASYLCAOPOPOCOR-UHFFFAOYSA-N205.2Ex 205.18(BP est) 18.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C=CBr 18.8Pred
BrC1C(C)(Cl)[Se]116367234.379C3H4BrClSe3-bromo-2-chloro-2-methylseleniraneN106BrC1C(C)(Cl)[Se]1InChI=1S/C3H4BrClSe/c1-3(5)2(4)6-3/h2H,1H3InChIKey=UUPHDHPLJRQVSX-UHFFFAOYSA-N183.4Ex 183.39(BP est) 14.13(MP est) ----(BP exp) ----(MP exp) BrC1C(C)(Cl)[Se]1 14.1Pred
[SeH]CC(Cl)=CBr16368234.379C3H4BrClSe3-bromo-2-chloroprop-2-ene-1-selenolN106[Se]([H])CC(Cl)=CBrInChI=1S/C3H4BrClSe/c4-1-3(5)2-6/h1,6H,2H2InChIKey=LZSDAXYKXQZQCY-UHFFFAOYSA-N199.2Ex 199.18(BP est) 17.55(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)=CBr 17.6Pred
ClC1[Se]CC1Br16369234.379C3H4BrClSe3-bromo-2-chloroselenetaneN106ClC1[Se]CC1BrInChI=1S/C3H4BrClSe/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=UTAXAXTWLAFNMZ-UHFFFAOYSA-N206.8Ex 206.80(BP est) 27.96(MP est) ----(BP exp) ----(MP exp) ClC1[Se]CC1Br 28Pred
[SeH]CC=C(Br)Cl16370234.379C3H4BrClSe3-bromo-3-chloroprop-2-ene-1-selenolN106[Se]([H])CC=C(Br)ClInChI=1S/C3H4BrClSe/c4-3(5)1-2-6/h1,6H,2H2InChIKey=UCXVSNJOAZCEOE-UHFFFAOYSA-N199.2Ex 199.18(BP est) 17.55(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(Br)Cl 17.6Pred
BrC1(Cl)C[Se]C116371234.379C3H4BrClSe3-bromo-3-chloroselenetaneN106BrC1(Cl)C[Se]C1InChI=1S/C3H4BrClSe/c4-3(5)1-6-2-3/h1-2H2InChIKey=METZUIBSCPCYDH-UHFFFAOYSA-N191.2Ex 191.20(BP est) 24.31(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C[Se]C1 24.3Pred
C[Se]CI16373234.926C2H5ISe(iodomethyl)(methyl)selaneN94C[Se]CIInChI=1S/C2H5ISe/c1-4-2-3/h2H2,1H3InChIKey=ASFOYDKWGRGUKC-UHFFFAOYSA-N175.3Ex 175.30(BP est) -9.55(MP est) ----(BP exp) ----(MP exp) C[Se]CI -9.6Pred
[SeH]C(C)I16374234.926C2H5ISe1-iodoethane-1-selenolN94[Se]([H])C(C)IInChI=1S/C2H5ISe/c1-2(3)4/h2,4H,1H3InChIKey=MSCVQLQOUKGVJA-UHFFFAOYSA-N164.5Ex 164.47(BP est) -12.03(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)I -12Pred
[SeH]CCI16375234.926C2H5ISe2-iodoethane-1-selenolN94[Se]([H])CCIInChI=1S/C2H5ISe/c3-1-2-4/h4H,1-2H2InChIKey=PBLKKCBVTALJHK-UHFFFAOYSA-N177.2Ex 177.24(BP est) -0.80(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCI -0.8Pred
C[Se]C(Br)(Cl)C16376236.395C3H6BrClSe(1-bromo-1-chloroethyl)(methyl)selaneN126C[Se]C(Br)(Cl)CInChI=1S/C3H6BrClSe/c1-3(4,5)6-2/h1-2H3InChIKey=UPWRYORMLGYCCP-UHFFFAOYSA-N178.0Ex 177.98(BP est) 13.91(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)(Cl)C 13.9Pred
C[Se]C(Br)CCl16377236.395C3H6BrClSe(1-bromo-2-chloroethyl)(methyl)selaneN126C[Se]C(Br)CClInChI=1S/C3H6BrClSe/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=PNEBTMCEKABZIH-UHFFFAOYSA-N208.0Ex 208.03(BP est) 13.97(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)CCl 14Pred
ClC[Se]C(Br)C16378236.395C3H6BrClSe(1-bromoethyl)(chloromethyl)selaneN126ClC[Se]C(Br)CInChI=1S/C3H6BrClSe/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=QNOILGBLZKFWQY-UHFFFAOYSA-N208.0Ex 208.03(BP est) 13.97(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Br)C 14Pred
C[Se]C(Cl)CBr16379236.395C3H6BrClSe(2-bromo-1-chloroethyl)(methyl)selaneN126C[Se]C(Cl)CBrInChI=1S/C3H6BrClSe/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=GHAXOBGHHXZHIA-UHFFFAOYSA-N197.2Ex 197.23(BP est) 10.81(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)CBr 10.8Pred
C[Se]CC(Br)Cl16380236.395C3H6BrClSe(2-bromo-2-chloroethyl)(methyl)selaneN126C[Se]CC(Br)ClInChI=1S/C3H6BrClSe/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=NYYBSBBDNHETOV-UHFFFAOYSA-N197.2Ex 197.23(BP est) 10.81(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Br)Cl 10.8Pred
ClC[Se]CCBr16381236.395C3H6BrClSe(2-bromoethyl)(chloromethyl)selaneN126ClC[Se]CCBrInChI=1S/C3H6BrClSe/c4-1-2-6-3-5/h1-3H2InChIKey=SOMINNYNSXDVRT-UHFFFAOYSA-N219.7Ex 219.65(BP est) 24.86(MP est) ----(BP exp) ----(MP exp) ClC[Se]CCBr 24.9Pred
BrC(Cl)[Se]CC16382236.395C3H6BrClSe(bromochloromethyl)(ethyl)selaneN126BrC(Cl)[Se]CCInChI=1S/C3H6BrClSe/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=BQJQJHPKMXBUGX-UHFFFAOYSA-N197.2Ex 197.23(BP est) 10.81(MP est) ----(BP exp) ----(MP exp) BrC(Cl)[Se]CC 10.8Pred
BrC[Se]C(Cl)C16383236.395C3H6BrClSe(bromomethyl)(1-chloroethyl)selaneN126BrC[Se]C(Cl)CInChI=1S/C3H6BrClSe/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=LLMJGRMNMGKGKM-UHFFFAOYSA-N197.2Ex 197.23(BP est) 10.81(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Cl)C 10.8Pred
BrC[Se]CCCl16384236.395C3H6BrClSe(bromomethyl)(2-chloroethyl)selaneN126BrC[Se]CCClInChI=1S/C3H6BrClSe/c4-3-6-2-1-5/h1-3H2InChIKey=DHLMDFBRMUFXLY-UHFFFAOYSA-N219.7Ex 219.65(BP est) 24.86(MP est) ----(BP exp) ----(MP exp) BrC[Se]CCCl 24.9Pred
[SeH]C(CC)(Br)Cl16385236.395C3H6BrClSe1-bromo-1-chloropropane-1-selenolN126[Se]([H])C(CC)(Br)ClInChI=1S/C3H6BrClSe/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=CSVYCIBCVHCZIM-UHFFFAOYSA-N179.9Ex 179.91(BP est) 22.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(Br)Cl 22.7Pred
[SeH]C(C)C(Br)Cl16386236.395C3H6BrClSe1-bromo-1-chloropropane-2-selenolN126[Se]([H])C(C)C(Br)ClInChI=1S/C3H6BrClSe/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=QDXPVEQLDUSYCW-UHFFFAOYSA-N186.9Ex 186.89(BP est) 8.48(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(Br)Cl 8.5Pred
[SeH]C(Br)C(Cl)C16387236.395C3H6BrClSe1-bromo-2-chloropropane-1-selenolN126[Se]([H])C(Br)C(Cl)CInChI=1S/C3H6BrClSe/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=ZRRIMVYMRLMQGU-UHFFFAOYSA-N186.9Ex 186.89(BP est) 8.48(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(Cl)C 8.5Pred
[SeH]C(CBr)(Cl)C16388236.395C3H6BrClSe1-bromo-2-chloropropane-2-selenolN126[Se]([H])C(CBr)(Cl)CInChI=1S/C3H6BrClSe/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=FAIRMLNZGWWRAW-UHFFFAOYSA-N179.9Ex 179.91(BP est) 22.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(Cl)C 22.7Pred
[SeH]C(Br)CCCl16389236.395C3H6BrClSe1-bromo-3-chloropropane-1-selenolN126[Se]([H])C(Br)CCClInChI=1S/C3H6BrClSe/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=KESXAJRNCBULLC-UHFFFAOYSA-N209.8Ex 209.83(BP est) 22.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CCCl 22.7Pred
[SeH]C(CCl)CBr16390236.395C3H6BrClSe1-bromo-3-chloropropane-2-selenolN126[Se]([H])C(CCl)CBrInChI=1S/C3H6BrClSe/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=PGNOVFHMLXJVFY-UHFFFAOYSA-N209.8Ex 209.83(BP est) 22.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)CBr 22.7Pred
[SeH]C(Cl)C(Br)C16391236.395C3H6BrClSe2-bromo-1-chloropropane-1-selenolN126[Se]([H])C(Cl)C(Br)CInChI=1S/C3H6BrClSe/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=IOVJLRYAQTZRIW-UHFFFAOYSA-N186.9Ex 186.89(BP est) 8.48(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(Br)C 8.5Pred
[SeH]C(CCl)(Br)C16392236.395C3H6BrClSe2-bromo-1-chloropropane-2-selenolN126[Se]([H])C(CCl)(Br)CInChI=1S/C3H6BrClSe/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=LSUDOVPHTFVZBU-UHFFFAOYSA-N202.1Ex 202.05(BP est) 29.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(Br)C 29.1Pred
[SeH]CC(C)(Br)Cl16393236.395C3H6BrClSe2-bromo-2-chloropropane-1-selenolN126[Se]([H])CC(C)(Br)ClInChI=1S/C3H6BrClSe/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=XLCOJZFSOLUOPP-UHFFFAOYSA-N179.9Ex 179.91(BP est) 22.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(Br)Cl 22.7Pred
[SeH]CC(Br)CCl16394236.395C3H6BrClSe2-bromo-3-chloropropane-1-selenolN126[Se]([H])CC(Br)CClInChI=1S/C3H6BrClSe/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=NLZWXYFRSYSXFG-UHFFFAOYSA-N209.8Ex 209.83(BP est) 22.68(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)CCl 22.7Pred
[SeH]C(Cl)CCBr16395236.395C3H6BrClSe3-bromo-1-chloropropane-1-selenolN126[Se]([H])C(Cl)CCBrInChI=1S/C3H6BrClSe/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=UFASWQCRWWLHHD-UHFFFAOYSA-N199.1Ex 199.08(BP est) 19.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)CCBr 19.5Pred
[SeH]CC(Cl)CBr16396236.395C3H6BrClSe3-bromo-2-chloropropane-1-selenolN126[Se]([H])CC(Cl)CBrInChI=1S/C3H6BrClSe/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=PWJFDPPLDDGXDL-UHFFFAOYSA-N199.1Ex 199.08(BP est) 19.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)CBr 19.5Pred
[SeH]CCC(Br)Cl16397236.395C3H6BrClSe3-bromo-3-chloropropane-1-selenolN126[Se]([H])CCC(Br)ClInChI=1S/C3H6BrClSe/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=MRMWUIMDKGYRTM-UHFFFAOYSA-N199.1Ex 199.08(BP est) 19.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Br)Cl 19.5Pred
C[Se][Se]C(Br)F16398284.876C2H4BrFSe21-(bromofluoromethyl)-2-methyldiselaneN106C[Se][Se]C(Br)FInChI=1S/C2H4BrFSe2/c1-5-6-2(3)4/h2H,1H3InChIKey=BELANESHZWGALM-UHFFFAOYSA-N212.3Ex 212.32(BP est) 31.72(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(Br)F 31.7Pred
BrC[Se][Se]CF16399284.876C2H4BrFSe21-(bromomethyl)-2-(fluoromethyl)diselaneN106BrC[Se][Se]CFInChI=1S/C2H4BrFSe2/c3-1-5-6-2-4/h1-2H2InChIKey=QDNNKFWZVBWSAN-UHFFFAOYSA-N223.8Ex 223.81(BP est) 41.19(MP est) ----(BP exp) ----(MP exp) BrC[Se][Se]CF 41.2Pred
FC1C(Cl)(Br)[Se]116400238.342C2HBrClFSe2-bromo-2-chloro-3-fluoroseleniraneN76FC1C(Cl)(Br)[Se]1InChI=1S/C2HBrClFSe/c3-2(4)1(5)6-2/h1HInChIKey=BPKYCNKZULZDKW-UHFFFAOYSA-N164.4Ex 164.39(BP est) 23.95(MP est) ----(BP exp) ----(MP exp) FC1C(Cl)(Br)[Se]1 24Pred
ClC1C(F)(Br)[Se]116401238.342C2HBrClFSe2-bromo-3-chloro-2-fluoroseleniraneN76ClC1C(F)(Br)[Se]1InChI=1S/C2HBrClFSe/c3-2(5)1(4)6-2/h1HInChIKey=FQWFPOXFUKYDPU-UHFFFAOYSA-N175.9Ex 175.94(BP est) 27.32(MP est) ----(BP exp) ----(MP exp) ClC1C(F)(Br)[Se]1 27.3Pred
BrC1C(F)(Cl)[Se]116402238.342C2HBrClFSe3-bromo-2-chloro-2-fluoroseleniraneN76BrC1C(F)(Cl)[Se]1InChI=1S/C2HBrClFSe/c3-1-2(4,5)6-1/h1HInChIKey=RFUIDKUPPYOLQT-UHFFFAOYSA-N164.4Ex 164.39(BP est) 23.95(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(Cl)[Se]1 24Pred
[SeH]C(F)I16403238.89CH2FISefluoroiodomethaneselenolN64[Se]([H])C(F)IInChI=1S/CH2FISe/c2-1(3)4/h1,4HInChIKey=HCSBPNUXHUAUAB-UHFFFAOYSA-N144.7Ex 144.74(BP est) -23.13(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)I -23.1Pred
C[Se]C(F)(Br)Cl16404240.358C2H3BrClFSe(bromochlorofluoromethyl)(methyl)selaneN96C[Se]C(F)(Br)ClInChI=1S/C2H3BrClFSe/c1-6-2(3,4)5/h1H3InChIKey=JAMAGYZYBJLDRE-UHFFFAOYSA-N158.8Ex 158.77(BP est) 2.96(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)(Br)Cl 3Pred
FC[Se]C(Br)Cl16405240.358C2H3BrClFSe(bromochloromethyl)(fluoromethyl)selaneN96FC[Se]C(Br)ClInChI=1S/C2H3BrClFSe/c3-2(4)6-1-5/h2H,1H2InChIKey=BLNLDSMBXMYSAT-UHFFFAOYSA-N178.8Ex 178.78(BP est) 0.09(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Br)Cl 0.1Pred
ClC[Se]C(Br)F16406240.358C2H3BrClFSe(bromofluoromethyl)(chloromethyl)selaneN96ClC[Se]C(Br)FInChI=1S/C2H3BrClFSe/c3-2(5)6-1-4/h2H,1H2InChIKey=OBVGMASOWGMZST-UHFFFAOYSA-N190.0Ex 190.03(BP est) 3.37(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Br)F 3.4Pred
BrC[Se]C(Cl)F16407240.358C2H3BrClFSe(bromomethyl)(chlorofluoromethyl)selaneN96BrC[Se]C(Cl)FInChI=1S/C2H3BrClFSe/c3-1-6-2(4)5/h2H,1H2InChIKey=PZSGNFJZZFFLCC-UHFFFAOYSA-N178.8Ex 178.78(BP est) 0.09(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Cl)F 0.1Pred
[SeH]C(CF)(Br)Cl16408240.358C2H3BrClFSe1-bromo-1-chloro-2-fluoroethane-1-selenolN96[Se]([H])C(CF)(Br)ClInChI=1S/C2H3BrClFSe/c3-2(4,6)1-5/h6H,1H2InChIKey=YCSMRNAMXUNHIM-UHFFFAOYSA-N160.8Ex 160.78(BP est) 11.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Br)Cl 11.7Pred
[SeH]C(CCl)(Br)F16409240.358C2H3BrClFSe1-bromo-2-chloro-1-fluoroethane-1-selenolN96[Se]([H])C(CCl)(Br)FInChI=1S/C2H3BrClFSe/c3-2(5,6)1-4/h6H,1H2InChIKey=UMZREZSGZVTTBO-UHFFFAOYSA-N183.8Ex 183.80(BP est) 18.45(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(Br)F 18.5Pred
[SeH]C(Br)C(Cl)F16410240.358C2H3BrClFSe1-bromo-2-chloro-2-fluoroethane-1-selenolN96[Se]([H])C(Br)C(Cl)FInChI=1S/C2H3BrClFSe/c3-1(6)2(4)5/h1-2,6HInChIKey=VTHCCAYSHAVQSM-UHFFFAOYSA-N168.0Ex 168.03(BP est) -2.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(Cl)F -2.4Pred
[SeH]C(CBr)(Cl)F16411240.358C2H3BrClFSe2-bromo-1-chloro-1-fluoroethane-1-selenolN96[Se]([H])C(CBr)(Cl)FInChI=1S/C2H3BrClFSe/c3-1-2(4,5)6/h6H,1H2InChIKey=OMZRLANTXMWOBD-UHFFFAOYSA-N160.8Ex 160.78(BP est) 11.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(Cl)F 11.7Pred
[SeH]C(Cl)C(Br)F16412240.358C2H3BrClFSe2-bromo-1-chloro-2-fluoroethane-1-selenolN96[Se]([H])C(Cl)C(Br)FInChI=1S/C2H3BrClFSe/c3-1(5)2(4)6/h1-2,6HInChIKey=HCMNCQWEVKHKIL-UHFFFAOYSA-N168.0Ex 168.03(BP est) -2.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(Br)F -2.4Pred
[SeH]C(F)C(Br)Cl16413240.358C2H3BrClFSe2-bromo-2-chloro-1-fluoroethane-1-selenolN96[Se]([H])C(F)C(Br)ClInChI=1S/C2H3BrClFSe/c3-1(4)2(5)6/h1-2,6HInChIKey=IOCIFLFJDCQOKA-UHFFFAOYSA-N168.0Ex 168.03(BP est) -2.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Br)Cl -2.4Pred
[SeH]CC(F)(Br)Cl16414240.358C2H3BrClFSe2-bromo-2-chloro-2-fluoroethane-1-selenolN96[Se]([H])CC(F)(Br)ClInChI=1S/C2H3BrClFSe/c3-2(4,5)1-6/h6H,1H2InChIKey=VCPNSSSTVVRAOP-UHFFFAOYSA-N160.8Ex 160.78(BP est) 11.73(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)(Br)Cl 11.7Pred
[SeH]C(Cl)(Br)Cl16415242.783CHBrCl2SebromodichloromethaneselenolN65[Se]([H])C(Cl)(Br)ClInChI=1S/CHBrCl2Se/c2-1(3,4)5/h5HInChIKey=XZCHWQWZTAAEQR-UHFFFAOYSA-N171.3Ex 171.27(BP est) 23.82(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(Br)Cl 23.8Pred
[SeH]C(I)C#C16416244.921C3H3ISe1-iodoprop-2-yne-1-selenolN85[Se]([H])C(I)C#CInChI=1S/C3H3ISe/c1-2-3(4)5/h1,3,5HInChIKey=FSQNFBLAQWUIBX-UHFFFAOYSA-N192.6Ex 192.64(BP est) 25.31(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C#C 25.3Pred
[SeH]CC#CI16417244.921C3H3ISe3-iodoprop-2-yne-1-selenolN85[Se]([H])CC#CIInChI=1S/C3H3ISe/c4-2-1-3-5/h5H,3H2InChIKey=DHICBTMELXBXHT-UHFFFAOYSA-N212.0Ex 211.97(BP est) 39.06(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC#CI 39.1Pred
C[Se]C(I)=C16418246.937C3H5ISe(1-iodovinyl)(methyl)selaneN105C[Se]C(I)=CInChI=1S/C3H5ISe/c1-3(4)5-2/h1H2,2H3InChIKey=AAORMXYLJJFTMX-UHFFFAOYSA-N188.8Ex 188.81(BP est) -7.83(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)=C -7.8Pred
C[Se]C=CI16419246.937C3H5ISe(2-iodovinyl)(methyl)selaneN105C[Se]C=CIInChI=1S/C3H5ISe/c1-5-3-2-4/h2-3H,1H3InChIKey=QFDHLVGCKLIBBK-UHFFFAOYSA-N202.0Ex 202.00(BP est) 1.34(MP est) ----(BP exp) ----(MP exp) C[Se]C=CI 1.3Pred
IC[Se]C=C16420246.937C3H5ISe(iodomethyl)(vinyl)selaneN105IC[Se]C=CInChI=1S/C3H5ISe/c1-2-5-3-4/h2H,1,3H2InChIKey=VDNUFHJCPVUEIT-UHFFFAOYSA-N194.4Ex 194.35(BP est) 0.76(MP est) ----(BP exp) ----(MP exp) IC[Se]C=C 0.8Pred
[SeH]C1(I)CC116421246.937C3H5ISe1-iodocyclopropane-1-selenolN105[Se]([H])C1(I)CC1InChI=1S/C3H5ISe/c4-3(5)1-2-3/h5H,1-2H2InChIKey=JPYZYWJPBCCVJJ-UHFFFAOYSA-N190.5Ex 190.49(BP est) 29.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(I)CC1 29.6Pred
[SeH]C(I)C=C16422246.937C3H5ISe1-iodoprop-2-ene-1-selenolN105[Se]([H])C(I)C=CInChI=1S/C3H5ISe/c1-2-3(4)5/h2-3,5H,1H2InChIKey=JHWDONGJLZBYEJ-UHFFFAOYSA-N183.9Ex 183.94(BP est) -1.59(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C=C -1.6Pred
ICC1C[Se]116423246.937C3H5ISe2-(iodomethyl)seleniraneN105ICC1C[Se]1InChI=1S/C3H5ISe/c4-1-3-2-5-3/h3H,1-2H2InChIKey=OTKHWCJNNWHGSE-UHFFFAOYSA-N197.4Ex 197.43(BP est) 13.27(MP est) ----(BP exp) ----(MP exp) ICC1C[Se]1 13.3Pred
IC1(C)C[Se]116424246.937C3H5ISe2-iodo-2-methylseleniraneN105IC1(C)C[Se]1InChI=1S/C3H5ISe/c1-3(4)2-5-3/h2H2,1H3InChIKey=XRJJNGUPHIUYES-UHFFFAOYSA-N186.7Ex 186.73(BP est) 22.10(MP est) ----(BP exp) ----(MP exp) IC1(C)C[Se]1 22.1Pred
IC1C(C)[Se]116425246.937C3H5ISe2-iodo-3-methylseleniraneN105IC1C(C)[Se]1InChI=1S/C3H5ISe/c1-2-3(4)5-2/h2-3H,1H3InChIKey=DTZVLHSOVTZBRC-UHFFFAOYSA-N191.6Ex 191.58(BP est) 9.45(MP est) ----(BP exp) ----(MP exp) IC1C(C)[Se]1 9.5Pred
[SeH]C1C(I)C116426246.937C3H5ISe2-iodocyclopropane-1-selenolN105[Se]([H])C1C(I)C1InChI=1S/C3H5ISe/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=BWOSNVQECQVORF-UHFFFAOYSA-N195.3Ex 195.31(BP est) 16.96(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(I)C1 17Pred
[SeH]CC(I)=C16427246.937C3H5ISe2-iodoprop-2-ene-1-selenolN105[Se]([H])CC(I)=CInChI=1S/C3H5ISe/c1-3(4)2-5/h5H,1-2H2InChIKey=REBUIZDIPXWSRR-UHFFFAOYSA-N190.7Ex 190.70(BP est) 0.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)=C 0.9Pred
IC1[Se]CC116428246.937C3H5ISe2-iodoselenetaneN105IC1[Se]CC1InChI=1S/C3H5ISe/c4-3-1-2-5-3/h3H,1-2H2InChIKey=BKVARWYRQJJRCI-UHFFFAOYSA-N199.3Ex 199.26(BP est) 12.05(MP est) ----(BP exp) ----(MP exp) IC1[Se]CC1 12.1Pred
[SeH]CC=CI16429246.937C3H5ISe3-iodoprop-2-ene-1-selenolN105[Se]([H])CC=CIInChI=1S/C3H5ISe/c4-2-1-3-5/h1-2,5H,3H2InChIKey=ZCKSYFATXGLFRK-UHFFFAOYSA-N203.8Ex 203.83(BP est) 10.06(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=CI 10.1Pred
IC1C[Se]C116430246.937C3H5ISe3-iodoselenetaneN105IC1C[Se]C1InChI=1S/C3H5ISe/c4-3-1-5-2-3/h3H,1-2H2InChIKey=YMVMUSXMWCDQQP-UHFFFAOYSA-N199.3Ex 199.26(BP est) 12.05(MP est) ----(BP exp) ----(MP exp) IC1C[Se]C1 12.1Pred
C[Se]C(I)C16431248.953C3H7ISe(1-iodoethyl)(methyl)selaneN125C[Se]C(I)CInChI=1S/C3H7ISe/c1-3(4)5-2/h3H,1-2H3InChIKey=QWXAVLDNXVXQCG-UHFFFAOYSA-N183.6Ex 183.57(BP est) -9.00(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)C -9Pred
C[Se]CCI16432248.953C3H7ISe(2-iodoethyl)(methyl)selaneN125C[Se]CCIInChI=1S/C3H7ISe/c1-5-3-2-4/h2-3H2,1H3InChIKey=VOSBNGHLIYTQSH-UHFFFAOYSA-N195.9Ex 195.85(BP est) 2.08(MP est) ----(BP exp) ----(MP exp) C[Se]CCI 2.1Pred
[SeH]C(I)CC16433248.953C3H7ISe1-iodopropane-1-selenolN125[Se]([H])C(I)CCInChI=1S/C3H7ISe/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=HTLXZYVTXUAOKL-UHFFFAOYSA-N185.5Ex 185.48(BP est) -0.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CC -0.3Pred
[SeH]C(C)CI16434248.953C3H7ISe1-iodopropane-2-selenolN125[Se]([H])C(C)CIInChI=1S/C3H7ISe/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=PZTZQFXPIJOXPT-UHFFFAOYSA-N185.5Ex 185.48(BP est) -0.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CI -0.3Pred
[SeH]CC(I)C16435248.953C3H7ISe2-iodopropane-1-selenolN125[Se]([H])CC(I)CInChI=1S/C3H7ISe/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=VEDOVXKUYWGIQI-UHFFFAOYSA-N185.5Ex 185.48(BP est) -0.26(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)C -0.3Pred
[SeH]C(C)(I)C16436248.953C3H7ISe2-iodopropane-2-selenolN125[Se]([H])C(C)(I)CInChI=1S/C3H7ISe/c1-3(2,4)5/h5H,1-2H3InChIKey=HJKSUGPYAWQALN-UHFFFAOYSA-N177.3Ex 177.26(BP est) 6.05(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(I)C 6.1Pred
[SeH]CCCI16437248.953C3H7ISe3-iodopropane-1-selenolN125[Se]([H])CCCIInChI=1S/C3H7ISe/c4-2-1-3-5/h5H,1-3H2InChIKey=VIZUDFZLSJJEJW-UHFFFAOYSA-N197.7Ex 197.71(BP est) 10.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCI 10.8Pred
IC[Se]CC16438248.953C3H7ISeethyl(iodomethyl)selaneN125IC[Se]CCInChI=1S/C3H7ISe/c1-2-5-3-4/h2-3H2,1H3InChIKey=CKAAIEPMWXJINX-UHFFFAOYSA-N195.9Ex 195.85(BP est) 2.08(MP est) ----(BP exp) ----(MP exp) IC[Se]CC 2.1Pred
FC1(I)C[Se]116439250.901C2H2FISe2-fluoro-2-iodoseleniraneN75FC1(I)C[Se]1InChI=1S/C2H2FISe/c3-2(4)1-5-2/h1H2InChIKey=POPCWHXPFNXKCJ-UHFFFAOYSA-N167.9Ex 167.87(BP est) 11.25(MP est) ----(BP exp) ----(MP exp) FC1(I)C[Se]1 11.3Pred
IC1C(F)[Se]116440250.901C2H2FISe2-fluoro-3-iodoseleniraneN75IC1C(F)[Se]1InChI=1S/C2H2FISe/c3-1-2(4)5-1/h1-2HInChIKey=XAIQVQXUQRKWOJ-UHFFFAOYSA-N172.9Ex 172.91(BP est) -1.34(MP est) ----(BP exp) ----(MP exp) IC1C(F)[Se]1 -1.3Pred
[SeH]C(Br)Br16441252.795CH2Br2SedibromomethaneselenolN64[Se]([H])C(Br)BrInChI=1S/CH2Br2Se/c2-1(3)4/h1,4HInChIKey=HAOUTVHZATWMMP-UHFFFAOYSA-N181.0Ex 180.95(BP est) 17.92(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)Br 17.9Pred
C[Se]C(F)I16442252.917C2H4FISe(fluoroiodomethyl)(methyl)selaneN95C[Se]C(F)IInChI=1S/C2H4FISe/c1-5-2(3)4/h2H,1H3InChIKey=MWYFMFPDYWKYDF-UHFFFAOYSA-N164.6Ex 164.58(BP est) -19.89(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)I -19.9Pred
IC[Se]CF16443252.917C2H4FISe(fluoromethyl)(iodomethyl)selaneN95IC[Se]CFInChI=1S/C2H4FISe/c3-1-5-2-4/h1-2H2InChIKey=XVJDSRSFKGDIID-UHFFFAOYSA-N177.4Ex 177.35(BP est) -8.66(MP est) ----(BP exp) ----(MP exp) IC[Se]CF -8.7Pred
[SeH]C(C)(F)I16444252.917C2H4FISe1-fluoro-1-iodoethane-1-selenolN95[Se]([H])C(C)(F)IInChI=1S/C2H4FISe/c1-2(3,4)5/h5H,1H3InChIKey=DFQLJNXNLRUMAZ-UHFFFAOYSA-N158.0Ex 158.02(BP est) -4.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(F)I -4.9Pred
[SeH]C(F)CI16445252.917C2H4FISe1-fluoro-2-iodoethane-1-selenolN95[Se]([H])C(F)CIInChI=1S/C2H4FISe/c3-2(5)1-4/h2,5H,1H2InChIKey=VQUQLDHJFMJAEX-UHFFFAOYSA-N166.6Ex 166.56(BP est) -11.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CI -11.1Pred
[SeH]C(I)CF16446252.917C2H4FISe2-fluoro-1-iodoethane-1-selenolN95[Se]([H])C(I)CFInChI=1S/C2H4FISe/c3-1-2(4)5/h2,5H,1H2InChIKey=KGLSZXDQWWYTTK-UHFFFAOYSA-N166.6Ex 166.56(BP est) -11.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CF -11.1Pred
[SeH]CC(F)I16447252.917C2H4FISe2-fluoro-2-iodoethane-1-selenolN95[Se]([H])CC(F)IInChI=1S/C2H4FISe/c3-2(4)1-5/h2,5H,1H2InChIKey=BJQGGQQLJWXPIV-UHFFFAOYSA-N166.6Ex 166.56(BP est) -11.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)I -11.1Pred
C[Se][Se]C(Br)Cl16448301.328C2H4BrClSe21-(bromochloromethyl)-2-methyldiselaneN106C[Se][Se]C(Br)ClInChI=1S/C2H4BrClSe2/c1-5-6-2(3)4/h2H,1H3InChIKey=XWKCVMKJGICNNM-UHFFFAOYSA-N249.8Ex 249.81(BP est) 56.09(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(Br)Cl 56.1Pred
ClC[Se][Se]CBr16449301.328C2H4BrClSe21-(bromomethyl)-2-(chloromethyl)diselaneN106ClC[Se][Se]CBrInChI=1S/C2H4BrClSe2/c3-1-5-6-2-4/h1-2H2InChIKey=JPMKPDLFLMWBEQ-UHFFFAOYSA-N269.3Ex 269.32(BP est) 68.68(MP est) ----(BP exp) ----(MP exp) ClC[Se][Se]CBr 68.7Pred
ClC1C(Cl)(Br)[Se]116450254.794C2HBrCl2Se2-bromo-2,3-dichloroseleniraneN76ClC1C(Cl)(Br)[Se]1InChI=1S/C2HBrCl2Se/c3-2(5)1(4)6-2/h1HInChIKey=MABNIIDTTWNPBF-UHFFFAOYSA-N206.2Ex 206.20(BP est) 28.78(MP est) ----(BP exp) ----(MP exp) ClC1C(Cl)(Br)[Se]1 28.8Pred
BrC1C(Cl)(Cl)[Se]116451254.794C2HBrCl2Se3-bromo-2,2-dichloroseleniraneN76BrC1C(Cl)(Cl)[Se]1InChI=1S/C2HBrCl2Se/c3-1-2(4,5)6-1/h1HInChIKey=HSZRVKBUYYKEIQ-UHFFFAOYSA-N195.4Ex 195.38(BP est) 24.04(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(Cl)[Se]1 24Pred
[SeH]C(Cl)I16452255.341CH2ClISechloroiodomethaneselenolN64[Se]([H])C(Cl)IInChI=1S/CH2ClISe/c2-1(3)4/h1,4HInChIKey=GKLFGUVTPGQRPU-UHFFFAOYSA-N188.2Ex 188.20(BP est) 4.22(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)I 4.2Pred
ClC[Se]C(Br)Cl16453256.81C2H3BrCl2Se(bromochloromethyl)(chloromethyl)selaneN96ClC[Se]C(Br)ClInChI=1S/C2H3BrCl2Se/c3-2(5)6-1-4/h2H,1H2InChIKey=GQVUEHXBMFNHPE-UHFFFAOYSA-N229.6Ex 229.58(BP est) 29.59(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Br)Cl 29.6Pred
C[Se]C(Cl)(Br)Cl16454256.81C2H3BrCl2Se(bromodichloromethyl)(methyl)selaneN96C[Se]C(Cl)(Br)ClInChI=1S/C2H3BrCl2Se/c1-6-2(3,4)5/h1H3InChIKey=RBXZIBYWILEOLS-UHFFFAOYSA-N190.1Ex 190.12(BP est) 26.77(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)(Br)Cl 26.8Pred
BrC[Se]C(Cl)Cl16455256.81C2H3BrCl2Se(bromomethyl)(dichloromethyl)selaneN96BrC[Se]C(Cl)ClInChI=1S/C2H3BrCl2Se/c3-1-6-2(4)5/h2H,1H2InChIKey=HCDJABQHYKSESQ-UHFFFAOYSA-N219.3Ex 219.34(BP est) 26.60(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Cl)Cl 26.6Pred
[SeH]C(CCl)(Br)Cl16456256.81C2H3BrCl2Se1-bromo-1,2-dichloroethane-1-selenolN96[Se]([H])C(CCl)(Br)ClInChI=1S/C2H3BrCl2Se/c3-2(5,6)1-4/h6H,1H2InChIKey=ZVRHYPDKBZTGAX-UHFFFAOYSA-N213.6Ex 213.55(BP est) 31.54(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(Br)Cl 31.5Pred
[SeH]C(Br)C(Cl)Cl16457256.81C2H3BrCl2Se1-bromo-2,2-dichloroethane-1-selenolN96[Se]([H])C(Br)C(Cl)ClInChI=1S/C2H3BrCl2Se/c3-1(6)2(4)5/h1-2,6HInChIKey=NUZIKCMGHSKEPU-UHFFFAOYSA-N209.5Ex 209.52(BP est) 24.41(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(Cl)Cl 24.4Pred
[SeH]C(CBr)(Cl)Cl16458256.81C2H3BrCl2Se2-bromo-1,1-dichloroethane-1-selenolN96[Se]([H])C(CBr)(Cl)ClInChI=1S/C2H3BrCl2Se/c3-1-2(4,5)6/h6H,1H2InChIKey=GAELNQQTGYADLM-UHFFFAOYSA-N192.0Ex 191.99(BP est) 23.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(Cl)Cl 23.2Pred
[SeH]C(Cl)C(Br)Cl16459256.81C2H3BrCl2Se2-bromo-1,2-dichloroethane-1-selenolN96[Se]([H])C(Cl)C(Br)ClInChI=1S/C2H3BrCl2Se/c3-1(4)2(5)6/h1-2,6HInChIKey=YKSMJUPHOWWYBO-UHFFFAOYSA-N209.5Ex 209.52(BP est) 24.41(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(Br)Cl 24.4Pred
[SeH]CC(Cl)(Br)Cl16460256.81C2H3BrCl2Se2-bromo-2,2-dichloroethane-1-selenolN96[Se]([H])CC(Cl)(Br)ClInChI=1S/C2H3BrCl2Se/c3-2(4,5)1-6/h6H,1H2InChIKey=CZVMOZFNUGNRNH-UHFFFAOYSA-N192.0Ex 191.99(BP est) 23.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)(Br)Cl 23.2Pred
[SeH]C(I)(F)F16461256.88CHF2ISedifluoroiodomethaneselenolN65[Se]([H])C(I)(F)FInChI=1S/CHF2ISe/c2-1(3,4)5/h5HInChIKey=KVMWLVHOMQRVFB-UHFFFAOYSA-N138.0Ex 138.04(BP est) -16.08(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)(F)F -16.1Pred
IC#CC1C[Se]116462256.932C4H3ISe2-(iodoethynyl)seleniraneN96IC#CC1C[Se]1InChI=1S/C4H3ISe/c5-2-1-4-3-6-4/h4H,3H2InChIKey=YCYLHYSLVDQQKS-UHFFFAOYSA-N230.6Ex 230.62(BP est) 51.32(MP est) ----(BP exp) ----(MP exp) IC#CC1C[Se]1 51.3Pred
IC1(C#C)C[Se]116463256.932C4H3ISe2-ethynyl-2-iodoseleniraneN96IC1(C#C)C[Se]1InChI=1S/C4H3ISe/c1-2-4(5)3-6-4/h1H,3H2InChIKey=KZGIJBSEPAOTQS-UHFFFAOYSA-N213.6Ex 213.61(BP est) 35.07(MP est) ----(BP exp) ----(MP exp) IC1(C#C)C[Se]1 35.1Pred
IC1C(C#C)[Se]116464256.932C4H3ISe2-ethynyl-3-iodoseleniraneN96IC1C(C#C)[Se]1InChI=1S/C4H3ISe/c1-2-3-4(5)6-3/h1,3-4HInChIKey=IYFSECWPNICRCB-UHFFFAOYSA-N218.2Ex 218.17(BP est) 35.46(MP est) ----(BP exp) ----(MP exp) IC1C(C#C)[Se]1 35.5Pred
C[Se]C(I)C#C16465258.948C4H5ISe(1-iodoprop-2-yn-1-yl)(methyl)selaneN116C[Se]C(I)C#CInChI=1S/C4H5ISe/c1-3-4(5)6-2/h1,4H,2H3InChIKey=KXVJVTRGHQSKEN-UHFFFAOYSA-N210.6Ex 210.64(BP est) 28.02(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)C#C 28Pred
C=C[Se]C(I)=C16466258.948C4H5ISe(1-iodovinyl)(vinyl)selaneN116C=C[Se]C(I)=CInChI=1S/C4H5ISe/c1-3-6-4(2)5/h3H,1-2H2InChIKey=BQBWRZVKLALZLQ-UHFFFAOYSA-N207.3Ex 207.31(BP est) 2.32(MP est) ----(BP exp) ----(MP exp) C=C[Se]C(I)=C 2.3Pred
C=C[Se]C=CI16467258.948C4H5ISe(2-iodovinyl)(vinyl)selaneN116C=C[Se]C=CIInChI=1S/C4H5ISe/c1-2-6-4-3-5/h2-4H,1H2InChIKey=ACZRGZKBMURJIK-UHFFFAOYSA-N220.0Ex 219.95(BP est) 11.33(MP est) ----(BP exp) ----(MP exp) C=C[Se]C=CI 11.3Pred
ICC#C[Se]C16468258.948C4H5ISe(3-iodoprop-1-yn-1-yl)(methyl)selaneN116ICC#C[Se]CInChI=1S/C4H5ISe/c1-6-4-2-3-5/h3H2,1H3InChIKey=KTHGRUYLCSJJCG-UHFFFAOYSA-N229.2Ex 229.16(BP est) 45.32(MP est) ----(BP exp) ----(MP exp) ICC#C[Se]C 45.3Pred
C[Se]CC#CI16469258.948C4H5ISe(3-iodoprop-2-yn-1-yl)(methyl)selaneN116C[Se]CC#CIInChI=1S/C4H5ISe/c1-6-4-2-3-5/h4H2,1H3InChIKey=XABLRQCRJYKZCD-UHFFFAOYSA-N229.2Ex 229.16(BP est) 45.32(MP est) ----(BP exp) ----(MP exp) C[Se]CC#CI 45.3Pred
CC#C[Se]CI16470258.948C4H5ISe(iodomethyl)(prop-1-yn-1-yl)selaneN116CC#C[Se]CIInChI=1S/C4H5ISe/c1-2-3-6-4-5/h4H2,1H3InChIKey=KMRMIHNLGYWCQB-UHFFFAOYSA-N229.2Ex 229.16(BP est) 45.32(MP est) ----(BP exp) ----(MP exp) CC#C[Se]CI 45.3Pred
IC[Se]CC#C16471258.948C4H5ISe(iodomethyl)(prop-2-yn-1-yl)selaneN116IC[Se]CC#CInChI=1S/C4H5ISe/c1-2-3-6-4-5/h1H,3-4H2InChIKey=SDTWGNDJKVTFKT-UHFFFAOYSA-N222.2Ex 222.18(BP est) 31.28(MP est) ----(BP exp) ----(MP exp) IC[Se]CC#C 31.3Pred
IC1([Se]2)C2CC116472258.948C4H5ISe1-iodo-5-selenabicyclo[2.1.0]pentaneN116IC1([Se]2)C2CC1InChI=1S/C4H5ISe/c5-4-2-1-3(4)6-4/h3H,1-2H2InChIKey=VIQKWSYWYODPEI-UHFFFAOYSA-N208.3Ex 208.32(BP est) 32.50(MP est) ----(BP exp) ----(MP exp) IC1([Se]2)C2CC1 32.5Pred
[SeH]C(I)CC#C16473258.948C4H5ISe1-iodobut-3-yne-1-selenolN116[Se]([H])C(I)CC#CInChI=1S/C4H5ISe/c1-2-3-4(5)6/h1,4,6H,3H2InChIKey=HLACQRKXXFOPOJ-UHFFFAOYSA-N212.4Ex 212.43(BP est) 27.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CC#C 27.9Pred
[SeH]C(CI)C#C16474258.948C4H5ISe1-iodobut-3-yne-2-selenolN116[Se]([H])C(CI)C#CInChI=1S/C4H5ISe/c1-2-4(6)3-5/h1,4,6H,3H2InChIKey=OTCXPWDMJKFPCK-UHFFFAOYSA-N212.4Ex 212.43(BP est) 27.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)C#C 27.9Pred
[SeH]C1(I)C=CC116475258.948C4H5ISe1-iodocyclobut-2-ene-1-selenolN116[Se]([H])C1(I)C=CC1InChI=1S/C4H5ISe/c5-4(6)2-1-3-4/h1-2,6H,3H2InChIKey=VUZRBPRVSFDZPC-UHFFFAOYSA-N214.7Ex 214.69(BP est) 31.19(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(I)C=CC1 31.2Pred
IC(C1C[Se]1)=C16476258.948C4H5ISe2-(1-iodovinyl)seleniraneN116IC(C1C[Se]1)=CInChI=1S/C4H5ISe/c1-3(5)4-2-6-4/h4H,1-2H2InChIKey=DZZUBBZEBAGVKS-UHFFFAOYSA-N210.3Ex 210.30(BP est) 14.81(MP est) ----(BP exp) ----(MP exp) IC(C1C[Se]1)=C 14.8Pred
IC=CC1C[Se]116477258.948C4H5ISe2-(2-iodovinyl)seleniraneN116IC=CC1C[Se]1InChI=1S/C4H5ISe/c5-2-1-4-3-6-4/h1-2,4H,3H2InChIKey=VMISIYWRNMCDCG-UHFFFAOYSA-N222.9Ex 222.85(BP est) 23.79(MP est) ----(BP exp) ----(MP exp) IC=CC1C[Se]1 23.8Pred
IC1C2(CC2)[Se]116478258.948C4H5ISe2-iodo-1-selenaspiro[2.2]pentaneN116IC1C2(CC2)[Se]1InChI=1S/C4H5ISe/c5-3-4(6-3)1-2-4/h3H,1-2H2InChIKey=LASXHWFWNQIUCY-UHFFFAOYSA-N208.3Ex 208.32(BP est) 32.50(MP est) ----(BP exp) ----(MP exp) IC1C2(CC2)[Se]1 32.5Pred
IC1(C=C)C[Se]116479258.948C4H5ISe2-iodo-2-vinylseleniraneN116IC1(C=C)C[Se]1InChI=1S/C4H5ISe/c1-2-4(5)3-6-4/h2H,1,3H2InChIKey=ICXJUUPUGMFOEJ-UHFFFAOYSA-N205.3Ex 205.32(BP est) 23.60(MP est) ----(BP exp) ----(MP exp) IC1(C=C)C[Se]1 23.6Pred
IC1C(C=C)[Se]116480258.948C4H5ISe2-iodo-3-vinylseleniraneN116IC1C(C=C)[Se]1InChI=1S/C4H5ISe/c1-2-3-4(5)6-3/h2-4H,1H2InChIKey=NGATXSSVYVSGDH-UHFFFAOYSA-N210.0Ex 209.97(BP est) 19.57(MP est) ----(BP exp) ----(MP exp) IC1C(C=C)[Se]1 19.6Pred
IC1CC2C1[Se]216481258.948C4H5ISe2-iodo-5-selenabicyclo[2.1.0]pentaneN116IC1CC2C1[Se]2InChI=1S/C4H5ISe/c5-2-1-3-4(2)6-3/h2-4H,1H2InChIKey=ZJRXQKAVSHSUKC-UHFFFAOYSA-N212.9Ex 212.94(BP est) 24.92(MP est) ----(BP exp) ----(MP exp) IC1CC2C1[Se]2 24.9Pred
[SeH]CC(I)C#C16482258.948C4H5ISe2-iodobut-3-yne-1-selenolN116[Se]([H])CC(I)C#CInChI=1S/C4H5ISe/c1-2-4(5)3-6/h1,4,6H,3H2InChIKey=CSFNEPHSXNABSC-UHFFFAOYSA-N212.4Ex 212.43(BP est) 27.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)C#C 27.9Pred
[SeH]C(C#C)(I)C16483258.948C4H5ISe2-iodobut-3-yne-2-selenolN116[Se]([H])C(C#C)(I)CInChI=1S/C4H5ISe/c1-3-4(2,5)6/h1,6H,2H3InChIKey=CLOBNIPMHPGLFY-UHFFFAOYSA-N204.7Ex 204.69(BP est) 30.74(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(I)C 30.7Pred
[SeH]C1C(I)=CC116484258.948C4H5ISe2-iodocyclobut-2-ene-1-selenolN116[Se]([H])C1C(I)=CC1InChI=1S/C4H5ISe/c5-3-1-2-4(3)6/h1,4,6H,2H2InChIKey=DDRYFQDDDNCZFL-UHFFFAOYSA-N223.1Ex 223.10(BP est) 30.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(I)=CC1 30.7Pred
[SeH]C1C=C(I)C116485258.948C4H5ISe3-iodocyclobut-2-ene-1-selenolN116[Se]([H])C1C=C(I)C1InChI=1S/C4H5ISe/c5-3-1-4(6)2-3/h1,4,6H,2H2InChIKey=BULMCFPGPFRSRP-UHFFFAOYSA-N223.1Ex 223.10(BP est) 30.67(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=C(I)C1 30.7Pred
IC1C2([Se]C2)C116486258.948C4H5ISe4-iodo-1-selenaspiro[2.2]pentaneN116IC1C2([Se]C2)C1InChI=1S/C4H5ISe/c5-3-1-4(3)2-6-4/h3H,1-2H2InChIKey=VJUVHYCJEGVFNX-UHFFFAOYSA-N208.3Ex 208.32(BP est) 32.50(MP est) ----(BP exp) ----(MP exp) IC1C2([Se]C2)C1 32.5Pred
[SeH]CCC#CI16487258.948C4H5ISe4-iodobut-3-yne-1-selenolN116[Se]([H])CCC#CIInChI=1S/C4H5ISe/c5-3-1-2-4-6/h6H,2,4H2InChIKey=MNAGBXVTKYVMQJ-UHFFFAOYSA-N230.9Ex 230.87(BP est) 50.16(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC#CI 50.2Pred
[SeH]C(C)C#CI16488258.948C4H5ISe4-iodobut-3-yne-2-selenolN116[Se]([H])C(C)C#CIInChI=1S/C4H5ISe/c1-4(6)2-3-5/h4,6H,1H3InChIKey=OLXKTSCKLYMXTJ-UHFFFAOYSA-N219.6Ex 219.58(BP est) 41.47(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C#CI 41.5Pred
[SeH]C1C=CC1I16489258.948C4H5ISe4-iodocyclobut-2-ene-1-selenolN116[Se]([H])C1C=CC1IInChI=1S/C4H5ISe/c5-3-1-2-4(3)6/h1-4,6HInChIKey=PQOAYDXIDAFXSP-UHFFFAOYSA-N219.2Ex 219.24(BP est) 28.20(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=CC1I 28.2Pred
C[Se]C(I)C=C16490260.964C4H7ISe(1-iodoallyl)(methyl)selaneN136C[Se]C(I)C=CInChI=1S/C4H7ISe/c1-3-4(5)6-2/h3-4H,1H2,2H3InChIKey=AMJBITINOBNAGZ-UHFFFAOYSA-N202.3Ex 202.29(BP est) 1.22(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)C=C 1.2Pred
C[Se]C1(I)CC116491260.964C4H7ISe(1-iodocyclopropyl)(methyl)selaneN136C[Se]C1(I)CC1InChI=1S/C4H7ISe/c1-6-4(5)2-3-4/h2-3H2,1H3InChIKey=IYFWNFBSZKXCKZ-UHFFFAOYSA-N208.6Ex 208.58(BP est) 24.28(MP est) ----(BP exp) ----(MP exp) C[Se]C1(I)CC1 24.3Pred
[SeH]CC1(I)CC116492260.964C4H7ISe(1-iodocyclopropyl)methaneselenolN136[Se]([H])CC1(I)CC1InChI=1S/C4H7ISe/c5-4(3-6)1-2-4/h6H,1-3H2InChIKey=LBVRYVXIJQVEBR-UHFFFAOYSA-N210.4Ex 210.38(BP est) 30.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1(I)CC1 30.4Pred
IC(C)[Se]C=C16493260.964C4H7ISe(1-iodoethyl)(vinyl)selaneN136IC(C)[Se]C=CInChI=1S/C4H7ISe/c1-3-6-4(2)5/h3-4H,1H2,2H3InChIKey=KDTCDYCQBOCIKK-UHFFFAOYSA-N202.3Ex 202.29(BP est) 1.22(MP est) ----(BP exp) ----(MP exp) IC(C)[Se]C=C 1.2Pred
C[Se]C(I)=CC16494260.964C4H7ISe(1-iodoprop-1-en-1-yl)(methyl)selaneN136C[Se]C(I)=CCInChI=1S/C4H7ISe/c1-3-4(5)6-2/h3H,1-2H3InChIKey=GCNXUTXBLDZAFB-UHFFFAOYSA-N216.2Ex 216.17(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)=CC 4.1Pred
C[Se]C(C)=CI16495260.964C4H7ISe(1-iodoprop-1-en-2-yl)(methyl)selaneN136C[Se]C(C)=CIInChI=1S/C4H7ISe/c1-4(3-5)6-2/h3H,1-2H3InChIKey=CRCZFGGZMOJRDN-UHFFFAOYSA-N216.2Ex 216.17(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)=CI 4.1Pred
C[Se]CC(I)=C16496260.964C4H7ISe(2-iodoallyl)(methyl)selaneN136C[Se]CC(I)=CInChI=1S/C4H7ISe/c1-4(5)3-6-2/h1,3H2,2H3InChIKey=IUMPZBORUVDCDF-UHFFFAOYSA-N208.8Ex 208.77(BP est) 3.63(MP est) ----(BP exp) ----(MP exp) C[Se]CC(I)=C 3.6Pred
C[Se]C1C(I)C116497260.964C4H7ISe(2-iodocyclopropyl)(methyl)selaneN136C[Se]C1C(I)C1InChI=1S/C4H7ISe/c1-6-4-2-3(4)5/h3-4H,2H2,1H3InChIKey=BXUJJQMIPBYNCI-UHFFFAOYSA-N213.2Ex 213.20(BP est) 19.63(MP est) ----(BP exp) ----(MP exp) C[Se]C1C(I)C1 19.6Pred
[SeH]CC1C(I)C116498260.964C4H7ISe(2-iodocyclopropyl)methaneselenolN136[Se]([H])CC1C(I)C1InChI=1S/C4H7ISe/c5-4-1-3(4)2-6/h3-4,6H,1-2H2InChIKey=RIFDVWFOHHLQQG-UHFFFAOYSA-N215.0Ex 214.98(BP est) 28.34(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC1C(I)C1 28.3Pred
ICC[Se]C=C16499260.964C4H7ISe(2-iodoethyl)(vinyl)selaneN136ICC[Se]C=CInChI=1S/C4H7ISe/c1-2-6-4-3-5/h2H,1,3-4H2InChIKey=KCAOCCJZQUAUTN-UHFFFAOYSA-N214.1Ex 214.06(BP est) 12.15(MP est) ----(BP exp) ----(MP exp) ICC[Se]C=C 12.2Pred
C[Se]C=C(I)C16500260.964C4H7ISe(2-iodoprop-1-en-1-yl)(methyl)selaneN136C[Se]C=C(I)CInChI=1S/C4H7ISe/c1-4(5)3-6-2/h3H,1-2H3InChIKey=WVLOARCYBWFXDV-UHFFFAOYSA-N216.2Ex 216.17(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(I)C 4.1Pred
C[Se]CC=CI16501260.964C4H7ISe(3-iodoallyl)(methyl)selaneN136C[Se]CC=CIInChI=1S/C4H7ISe/c1-6-4-2-3-5/h2-3H,4H2,1H3InChIKey=FOLYXKAFDQCNGM-UHFFFAOYSA-N221.4Ex 221.37(BP est) 12.63(MP est) ----(BP exp) ----(MP exp) C[Se]CC=CI 12.6Pred
C[Se]C=CCI16502260.964C4H7ISe(3-iodoprop-1-en-1-yl)(methyl)selaneN136C[Se]C=CCIInChI=1S/C4H7ISe/c1-6-4-2-3-5/h2,4H,3H2,1H3InChIKey=ULXNXYVYCGXMEE-UHFFFAOYSA-N221.4Ex 221.37(BP est) 12.63(MP est) ----(BP exp) ----(MP exp) C[Se]C=CCI 12.6Pred
C[Se]C(CI)=C16503260.964C4H7ISe(3-iodoprop-1-en-2-yl)(methyl)selaneN136C[Se]C(CI)=CInChI=1S/C4H7ISe/c1-4(3-5)6-2/h1,3H2,2H3InChIKey=LABYTJJNYOMUFY-UHFFFAOYSA-N208.8Ex 208.77(BP est) 3.63(MP est) ----(BP exp) ----(MP exp) C[Se]C(CI)=C 3.6Pred
IC[Se]C=CC16504260.964C4H7ISe(iodomethyl)(prop-1-en-1-yl)selaneN136IC[Se]C=CCInChI=1S/C4H7ISe/c1-2-3-6-4-5/h2-3H,4H2,1H3InChIKey=HOPXUZXNVVRLTM-UHFFFAOYSA-N221.4Ex 221.37(BP est) 12.63(MP est) ----(BP exp) ----(MP exp) IC[Se]C=CC 12.6Pred
IC[Se]C(C)=C16505260.964C4H7ISe(iodomethyl)(prop-1-en-2-yl)selaneN136IC[Se]C(C)=CInChI=1S/C4H7ISe/c1-4(2)6-3-5/h1,3H2,2H3InChIKey=DYMMVBKMEQQATH-UHFFFAOYSA-N208.8Ex 208.77(BP est) 3.63(MP est) ----(BP exp) ----(MP exp) IC[Se]C(C)=C 3.6Pred
[SeH]C1(CI)CC116506260.964C4H7ISe1-(iodomethyl)cyclopropane-1-selenolN136[Se]([H])C1(CI)CC1InChI=1S/C4H7ISe/c5-3-4(6)1-2-4/h6H,1-3H2InChIKey=NKZBRKPMQXPWGG-UHFFFAOYSA-N210.4Ex 210.38(BP est) 30.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(CI)CC1 30.4Pred
[SeH]C(I)CC=C16507260.964C4H7ISe1-iodobut-3-ene-1-selenolN136[Se]([H])C(I)CC=CInChI=1S/C4H7ISe/c1-2-3-4(5)6/h2,4,6H,1,3H2InChIKey=WXYKLMIACWRFER-UHFFFAOYSA-N204.1Ex 204.12(BP est) 9.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CC=C 9.9Pred
[SeH]C(CI)C=C16508260.964C4H7ISe1-iodobut-3-ene-2-selenolN136[Se]([H])C(CI)C=CInChI=1S/C4H7ISe/c1-2-4(6)3-5/h2,4,6H,1,3H2InChIKey=YDVWNDJVLYRXFU-UHFFFAOYSA-N204.1Ex 204.12(BP est) 9.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)C=C 9.9Pred
[SeH]C1(I)CCC116509260.964C4H7ISe1-iodocyclobutane-1-selenolN136[Se]([H])C1(I)CCC1InChI=1S/C4H7ISe/c5-4(6)2-1-3-4/h6H,1-3H2InChIKey=BCKSRRXAVUMLMJ-UHFFFAOYSA-N212.2Ex 212.16(BP est) 29.95(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(I)CCC1 30Pred
IC(C)C1C[Se]116510260.964C4H7ISe2-(1-iodoethyl)seleniraneN136IC(C)C1C[Se]1InChI=1S/C4H7ISe/c1-3(5)4-2-6-4/h3-4H,2H2,1H3InChIKey=AQAQRQUEPMQIFH-UHFFFAOYSA-N205.3Ex 205.31(BP est) 13.71(MP est) ----(BP exp) ----(MP exp) IC(C)C1C[Se]1 13.7Pred
ICCC1C[Se]116511260.964C4H7ISe2-(2-iodoethyl)seleniraneN136ICCC1C[Se]1InChI=1S/C4H7ISe/c5-2-1-4-3-6-4/h4H,1-3H2InChIKey=OGJVNEHRZSYYBW-UHFFFAOYSA-N217.0Ex 217.00(BP est) 24.62(MP est) ----(BP exp) ----(MP exp) ICCC1C[Se]1 24.6Pred
CC1(CI)C[Se]116512260.964C4H7ISe2-(iodomethyl)-2-methylseleniraneN136CC1(CI)C[Se]1InChI=1S/C4H7ISe/c1-4(2-5)3-6-4/h2-3H2,1H3InChIKey=HPNAXNSFEGFPJO-UHFFFAOYSA-N206.8Ex 206.79(BP est) 24.75(MP est) ----(BP exp) ----(MP exp) CC1(CI)C[Se]1 24.8Pred
CC1C(CI)[Se]116513260.964C4H7ISe2-(iodomethyl)-3-methylseleniraneN136CC1C(CI)[Se]1InChI=1S/C4H7ISe/c1-3-4(2-5)6-3/h3-4H,2H2,1H3InChIKey=JGJGDKKDCJLPKT-UHFFFAOYSA-N211.4Ex 211.42(BP est) 20.87(MP est) ----(BP exp) ----(MP exp) CC1C(CI)[Se]1 20.9Pred
ICC1[Se]CC116514260.964C4H7ISe2-(iodomethyl)selenetaneN136ICC1[Se]CC1InChI=1S/C4H7ISe/c5-3-4-1-2-6-4/h4H,1-3H2InChIKey=CRNOIUGBKCAVBC-UHFFFAOYSA-N218.8Ex 218.75(BP est) 23.37(MP est) ----(BP exp) ----(MP exp) ICC1[Se]CC1 23.4Pred
IC1(CC)C[Se]116515260.964C4H7ISe2-ethyl-2-iodoseleniraneN136IC1(CC)C[Se]1InChI=1S/C4H7ISe/c1-2-4(5)3-6-4/h2-3H2,1H3InChIKey=YNQLAVXSVNPADR-UHFFFAOYSA-N206.8Ex 206.79(BP est) 24.75(MP est) ----(BP exp) ----(MP exp) IC1(CC)C[Se]1 24.8Pred
IC1C(CC)[Se]116516260.964C4H7ISe2-ethyl-3-iodoseleniraneN136IC1C(CC)[Se]1InChI=1S/C4H7ISe/c1-2-3-4(5)6-3/h3-4H,2H2,1H3InChIKey=JUMFVVKPQWZHDD-UHFFFAOYSA-N211.4Ex 211.42(BP est) 20.87(MP est) ----(BP exp) ----(MP exp) IC1C(CC)[Se]1 20.9Pred
[SeH]C1(C)C(I)C116517260.964C4H7ISe2-iodo-1-methylcyclopropane-1-selenolN136[Se]([H])C1(C)C(I)C1InChI=1S/C4H7ISe/c1-4(6)2-3(4)5/h3,6H,2H2,1H3InChIKey=GUDYBTSXAYMDFY-UHFFFAOYSA-N204.7Ex 204.71(BP est) 26.82(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C)C(I)C1 26.8Pred
CC1C(C)(I)[Se]116518260.964C4H7ISe2-iodo-2,3-dimethylseleniraneN136CC1C(C)(I)[Se]1InChI=1S/C4H7ISe/c1-3-4(2,5)6-3/h3H,1-2H3InChIKey=VHERJVLYXORJRT-UHFFFAOYSA-N201.1Ex 201.07(BP est) 29.80(MP est) ----(BP exp) ----(MP exp) CC1C(C)(I)[Se]1 29.8Pred
IC1(C)[Se]CC116519260.964C4H7ISe2-iodo-2-methylselenetaneN136IC1(C)[Se]CC1InChI=1S/C4H7ISe/c1-4(5)2-3-6-4/h2-3H2,1H3InChIKey=OWWRBMVNCVILPG-UHFFFAOYSA-N208.6Ex 208.58(BP est) 24.28(MP est) ----(BP exp) ----(MP exp) IC1(C)[Se]CC1 24.3Pred
IC1[Se]CC1C16520260.964C4H7ISe2-iodo-3-methylselenetaneN136IC1[Se]CC1CInChI=1S/C4H7ISe/c1-3-2-6-4(3)5/h3-4H,2H2,1H3InChIKey=AKLBJQJENRJWSP-UHFFFAOYSA-N213.2Ex 213.20(BP est) 19.63(MP est) ----(BP exp) ----(MP exp) IC1[Se]CC1C 19.6Pred
IC1CC(C)[Se]116521260.964C4H7ISe2-iodo-4-methylselenetaneN136IC1CC(C)[Se]1InChI=1S/C4H7ISe/c1-3-2-4(5)6-3/h3-4H,2H2,1H3InChIKey=NNCIYBDHMQQGFH-UHFFFAOYSA-N213.2Ex 213.20(BP est) 19.63(MP est) ----(BP exp) ----(MP exp) IC1CC(C)[Se]1 19.6Pred
[SeH]CC(I)C=C16522260.964C4H7ISe2-iodobut-3-ene-1-selenolN136[Se]([H])CC(I)C=CInChI=1S/C4H7ISe/c1-2-4(5)3-6/h2,4,6H,1,3H2InChIKey=LTFMUVRCFGGQRM-UHFFFAOYSA-N204.1Ex 204.12(BP est) 9.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)C=C 9.9Pred
[SeH]C(C=C)(I)C16523260.964C4H7ISe2-iodobut-3-ene-2-selenolN136[Se]([H])C(C=C)(I)CInChI=1S/C4H7ISe/c1-3-4(2,5)6/h3,6H,1H2,2H3InChIKey=CXSGHSHKUOLKLD-UHFFFAOYSA-N196.2Ex 196.23(BP est) 16.34(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(I)C 16.3Pred
[SeH]C1C(I)CC116524260.964C4H7ISe2-iodocyclobutane-1-selenolN136[Se]([H])C1C(I)CC1InChI=1S/C4H7ISe/c5-3-1-2-4(3)6/h3-4,6H,1-2H2InChIKey=JZZVKYKEYZVEBM-UHFFFAOYSA-N216.7Ex 216.73(BP est) 27.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(I)CC1 27.1Pred
IC1CCC[Se]116525260.964C4H7ISe2-iodotetrahydroselenopheneN136IC1CCC[Se]1InChI=1S/C4H7ISe/c5-4-2-1-3-6-4/h4H,1-3H2InChIKey=NNKGKQPPOURTOY-UHFFFAOYSA-N220.5Ex 220.49(BP est) 22.12(MP est) ----(BP exp) ----(MP exp) IC1CCC[Se]1 22.1Pred
ICC1C[Se]C116526260.964C4H7ISe3-(iodomethyl)selenetaneN136ICC1C[Se]C1InChI=1S/C4H7ISe/c5-1-4-2-6-3-4/h4H,1-3H2InChIKey=BDVDFINSRHNKTN-UHFFFAOYSA-N218.8Ex 218.75(BP est) 23.37(MP est) ----(BP exp) ----(MP exp) ICC1C[Se]C1 23.4Pred
IC1C(C)(C)[Se]116527260.964C4H7ISe3-iodo-2,2-dimethylseleniraneN136IC1C(C)(C)[Se]1InChI=1S/C4H7ISe/c1-4(2)3(5)6-4/h3H,1-2H3InChIKey=NBGUDNIVFPAXDE-UHFFFAOYSA-N201.1Ex 201.07(BP est) 29.80(MP est) ----(BP exp) ----(MP exp) IC1C(C)(C)[Se]1 29.8Pred
CC1[Se]CC1I16528260.964C4H7ISe3-iodo-2-methylselenetaneN136CC1[Se]CC1IInChI=1S/C4H7ISe/c1-3-4(5)2-6-3/h3-4H,2H2,1H3InChIKey=MSQNHQFOIFDEFK-UHFFFAOYSA-N213.2Ex 213.20(BP est) 19.63(MP est) ----(BP exp) ----(MP exp) CC1[Se]CC1I 19.6Pred
IC1(C)C[Se]C116529260.964C4H7ISe3-iodo-3-methylselenetaneN136IC1(C)C[Se]C1InChI=1S/C4H7ISe/c1-4(5)2-6-3-4/h2-3H2,1H3InChIKey=RUUQPORBCWDXEG-UHFFFAOYSA-N208.6Ex 208.58(BP est) 24.28(MP est) ----(BP exp) ----(MP exp) IC1(C)C[Se]C1 24.3Pred
[SeH]CCC(I)=C16530260.964C4H7ISe3-iodobut-3-ene-1-selenolN136[Se]([H])CCC(I)=CInChI=1S/C4H7ISe/c1-4(5)2-3-6/h6H,1-3H2InChIKey=BBJUFIAVUCBVGC-UHFFFAOYSA-N210.6Ex 210.57(BP est) 12.34(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(I)=C 12.3Pred
[SeH]C(C)C(I)=C16531260.964C4H7ISe3-iodobut-3-ene-2-selenolN136[Se]([H])C(C)C(I)=CInChI=1S/C4H7ISe/c1-3(5)4(2)6/h4,6H,1H2,2H3InChIKey=ZGAPCKULZXZBKE-UHFFFAOYSA-N198.7Ex 198.70(BP est) 1.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(I)=C 1.4Pred
[SeH]C1CC(I)C116532260.964C4H7ISe3-iodocyclobutane-1-selenolN136[Se]([H])C1CC(I)C1InChI=1S/C4H7ISe/c5-3-1-4(6)2-3/h3-4,6H,1-2H2InChIKey=PQMQCWBXWYCODM-UHFFFAOYSA-N216.7Ex 216.73(BP est) 27.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1CC(I)C1 27.1Pred
IC1C[Se]CC116533260.964C4H7ISe3-iodotetrahydroselenopheneN136IC1C[Se]CC1InChI=1S/C4H7ISe/c5-4-1-2-6-3-4/h4H,1-3H2InChIKey=NRHQVQPSCGBVNL-UHFFFAOYSA-N220.5Ex 220.49(BP est) 22.12(MP est) ----(BP exp) ----(MP exp) IC1C[Se]CC1 22.1Pred
[SeH]CCC=CI16534260.964C4H7ISe4-iodobut-3-ene-1-selenolN136[Se]([H])CCC=CIInChI=1S/C4H7ISe/c5-3-1-2-4-6/h1,3,6H,2,4H2InChIKey=SPGVRYMSYXUCMF-UHFFFAOYSA-N223.1Ex 223.11(BP est) 21.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC=CI 21.3Pred
[SeH]C(C)C=CI16535260.964C4H7ISe4-iodobut-3-ene-2-selenolN136[Se]([H])C(C)C=CIInChI=1S/C4H7ISe/c1-4(6)2-3-5/h2-4,6H,1H3InChIKey=FYJQXAWKMSJOPY-UHFFFAOYSA-N211.6Ex 211.60(BP est) 10.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C=CI 10.5Pred
IC[Se]CC=C16536260.964C4H7ISeallyl(iodomethyl)selaneN136IC[Se]CC=CInChI=1S/C4H7ISe/c1-2-3-6-4-5/h2H,1,3-4H2InChIKey=APLDATWHWXYELI-UHFFFAOYSA-N214.1Ex 214.06(BP est) 12.15(MP est) ----(BP exp) ----(MP exp) IC[Se]CC=C 12.2Pred
IC[Se]C1CC116537260.964C4H7ISecyclopropyl(iodomethyl)selaneN136IC[Se]C1CC1InChI=1S/C4H7ISe/c5-3-6-4-1-2-4/h4H,1-3H2InChIKey=IFAIXLYBJXIISM-UHFFFAOYSA-N218.8Ex 218.75(BP est) 23.37(MP est) ----(BP exp) ----(MP exp) IC[Se]C1CC1 23.4Pred
[SeH]C(I)C1CC116538260.964C4H7ISecyclopropyliodomethaneselenolN136[Se]([H])C(I)C1CC1InChI=1S/C4H7ISe/c5-4(6)3-1-2-3/h3-4,6H,1-2H2InChIKey=YFMQDMDDAKQSOQ-UHFFFAOYSA-N208.9Ex 208.92(BP est) 21.19(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C1CC1 21.2Pred
CC[Se]C(I)=C16539260.964C4H7ISeethyl(1-iodovinyl)selaneN136CC[Se]C(I)=CInChI=1S/C4H7ISe/c1-3-6-4(2)5/h2-3H2,1H3InChIKey=VBZZZDAYZFGETP-UHFFFAOYSA-N208.8Ex 208.77(BP est) 3.63(MP est) ----(BP exp) ----(MP exp) CC[Se]C(I)=C 3.6Pred
CC[Se]C=CI16540260.964C4H7ISeethyl(2-iodovinyl)selaneN136CC[Se]C=CIInChI=1S/C4H7ISe/c1-2-6-4-3-5/h3-4H,2H2,1H3InChIKey=SNJYOPORNUBNRW-UHFFFAOYSA-N221.4Ex 221.37(BP est) 12.63(MP est) ----(BP exp) ----(MP exp) CC[Se]C=CI 12.6Pred
[SeH]C(C#C)(F)I16541262.912C3H2FISe1-fluoro-1-iodoprop-2-yne-1-selenolN86[Se]([H])C(C#C)(F)IInChI=1S/C3H2FISe/c1-2-3(4,5)6/h1,6HInChIKey=GIQUBCRAQMJDSD-UHFFFAOYSA-N186.6Ex 186.56(BP est) 20.12(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(F)I 20.1Pred
[SeH]C(F)C#CI16542262.912C3H2FISe1-fluoro-3-iodoprop-2-yne-1-selenolN86[Se]([H])C(F)C#CIInChI=1S/C3H2FISe/c4-3(6)1-2-5/h3,6HInChIKey=MAPIWXMZMVDAIU-UHFFFAOYSA-N202.1Ex 202.07(BP est) 31.13(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C#CI 31.1Pred
[SeH]C(I)C#CF16543262.912C3H2FISe3-fluoro-1-iodoprop-2-yne-1-selenolN86[Se]([H])C(I)C#CFInChI=1S/C3H2FISe/c4-2-1-3(5)6/h3,6HInChIKey=BYMMCHLEGJTZHD-UHFFFAOYSA-N202.1Ex 202.07(BP est) 31.13(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C#CF 31.1Pred
C[Se]C(C)CI16544262.98C4H9ISe(1-iodopropan-2-yl)(methyl)selaneN156C[Se]C(C)CIInChI=1S/C4H9ISe/c1-4(3-5)6-2/h4H,3H2,1-2H3InChIKey=PGMWJDXDMVBRCT-UHFFFAOYSA-N203.8Ex 203.76(BP est) 2.53(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)CI 2.5Pred
C[Se]C(I)CC16545262.98C4H9ISe(1-iodopropyl)(methyl)selaneN156C[Se]C(I)CCInChI=1S/C4H9ISe/c1-3-4(5)6-2/h4H,3H2,1-2H3InChIKey=FCZYRTNWGCZGBJ-UHFFFAOYSA-N203.8Ex 203.76(BP est) 2.53(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)CC 2.5Pred
C[Se]C(C)(I)C16546262.98C4H9ISe(2-iodopropan-2-yl)(methyl)selaneN156C[Se]C(C)(I)CInChI=1S/C4H9ISe/c1-4(2,5)6-3/h1-3H3InChIKey=GIAZEZNBBDCBHQ-UHFFFAOYSA-N195.9Ex 195.87(BP est) 8.93(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(I)C 8.9Pred
C[Se]CC(I)C16547262.98C4H9ISe(2-iodopropyl)(methyl)selaneN156C[Se]CC(I)CInChI=1S/C4H9ISe/c1-4(5)3-6-2/h4H,3H2,1-2H3InChIKey=OAHWTRBDLIQTDE-UHFFFAOYSA-N203.8Ex 203.76(BP est) 2.53(MP est) ----(BP exp) ----(MP exp) C[Se]CC(I)C 2.5Pred
C[Se]C(C)(Br)Br16548280.849C3H6Br2Se(1,1-dibromoethyl)(methyl)selaneN126C[Se]C(C)(Br)BrInChI=1S/C3H6Br2Se/c1-3(4,5)6-2/h1-2H3InChIKey=XVQWNCNOWJZSQY-UHFFFAOYSA-N211.3Ex 211.29(BP est) 28.95(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(Br)Br 29Pred
C[Se]C(Br)CBr16551280.849C3H6Br2Se(1,2-dibromoethyl)(methyl)selaneN126C[Se]C(Br)CBrInChI=1S/C3H6Br2Se/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=IMHWCKCSDYKHOC-UHFFFAOYSA-N218.9Ex 218.90(BP est) 32.08(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)CBr 32.1Pred
BrC[Se]C(Br)C16560280.849C3H6Br2Se(1-bromoethyl)(bromomethyl)selaneN126BrC[Se]C(Br)CInChI=1S/C3H6Br2Se/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=VFXRWVWKPLQNCK-UHFFFAOYSA-N218.9Ex 218.90(BP est) 32.08(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Br)C 32.1Pred
C[Se]C(C)(Cl)I16569283.395C3H6ClISe(1-chloro-1-iodoethyl)(methyl)selaneN126C[Se]C(C)(Cl)IInChI=1S/C3H6ClISe/c1-3(4,5)6-2/h1-2H3InChIKey=VRNXUMQJHOMFKS-UHFFFAOYSA-N207.5Ex 207.54(BP est) 21.66(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(Cl)I 21.7Pred
C[Se]C(Cl)CI16571283.395C3H6ClISe(1-chloro-2-iodoethyl)(methyl)selaneN126C[Se]C(Cl)CIInChI=1S/C3H6ClISe/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=BQUVDMVAXMRJOL-UHFFFAOYSA-N225.5Ex 225.54(BP est) 18.21(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)CI 18.2Pred
IC[Se]C(Cl)C16577283.395C3H6ClISe(1-chloroethyl)(iodomethyl)selaneN126IC[Se]C(Cl)CInChI=1S/C3H6ClISe/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=QRHPPFQIALZLGC-UHFFFAOYSA-N225.5Ex 225.54(BP est) 18.21(MP est) ----(BP exp) ----(MP exp) IC[Se]C(Cl)C 18.2Pred
C[Se]C(C)(F)I16582266.944C3H6FISe(1-fluoro-1-iodoethyl)(methyl)selaneN126C[Se]C(C)(F)IInChI=1S/C3H6FISe/c1-3(4,5)6-2/h1-2H3InChIKey=NNOHNJSALFOPCV-UHFFFAOYSA-N177.4Ex 177.37(BP est) -1.81(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)(F)I -1.8Pred
C[Se]C(F)CI16583266.944C3H6FISe(1-fluoro-2-iodoethyl)(methyl)selaneN126C[Se]C(F)CIInChI=1S/C3H6FISe/c1-6-3(4)2-5/h3H,2H2,1H3InChIKey=FBOMRFFRJMNDKK-UHFFFAOYSA-N185.6Ex 185.59(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)CI -8.1Pred
IC[Se]C(F)C16587266.944C3H6FISe(1-fluoroethyl)(iodomethyl)selaneN126IC[Se]C(F)CInChI=1S/C3H6FISe/c1-3(4)6-2-5/h3H,2H2,1H3InChIKey=VHFWXAQSDMABIX-UHFFFAOYSA-N185.6Ex 185.59(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) IC[Se]C(F)C -8.1Pred
C[Se]C(F)C16588141.047C3H7FSe(1-fluoroethyl)(methyl)selaneN125C[Se]C(F)CInChI=1S/C3H7FSe/c1-3(4)5-2/h3H,1-2H3InChIKey=CRBYQRRSFXEGRK-UHFFFAOYSA-N78.9Ex 78.92(BP est) -68.29(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)C -68.3Pred
C[Se]CC(Br)Br16598280.849C3H6Br2Se(2,2-dibromoethyl)(methyl)selaneN126C[Se]CC(Br)BrInChI=1S/C3H6Br2Se/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=FCOFDUIKVOGZQT-UHFFFAOYSA-N218.9Ex 218.90(BP est) 32.08(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Br)Br 32.1Pred
BrC[Se]CCBr16607280.849C3H6Br2Se(2-bromoethyl)(bromomethyl)selaneN126BrC[Se]CCBrInChI=1S/C3H6Br2Se/c4-1-2-6-3-5/h1-3H2InChIKey=BIYVHPNZCYWJPM-UHFFFAOYSA-N230.2Ex 230.21(BP est) 35.51(MP est) ----(BP exp) ----(MP exp) BrC[Se]CCBr 35.5Pred
C[Se]C(I)CCl16615283.395C3H6ClISe(2-chloro-1-iodoethyl)(methyl)selaneN126C[Se]C(I)CClInChI=1S/C3H6ClISe/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=TVIZYMCKZQBLAO-UHFFFAOYSA-N235.6Ex 235.62(BP est) 21.15(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)CCl 21.2Pred
C[Se]CC(Cl)I16617283.395C3H6ClISe(2-chloro-2-iodoethyl)(methyl)selaneN126C[Se]CC(Cl)IInChI=1S/C3H6ClISe/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=PKUVMFDMQCOMTC-UHFFFAOYSA-N225.5Ex 225.54(BP est) 18.21(MP est) ----(BP exp) ----(MP exp) C[Se]CC(Cl)I 18.2Pred
IC[Se]CCCl16623283.395C3H6ClISe(2-chloroethyl)(iodomethyl)selaneN126IC[Se]CCClInChI=1S/C3H6ClISe/c4-1-2-6-3-5/h1-3H2InChIKey=IIVUBTLDQXUAAN-UHFFFAOYSA-N246.4Ex 246.44(BP est) 31.81(MP est) ----(BP exp) ----(MP exp) IC[Se]CCCl 31.8Pred
C[Se]C(I)CF16627266.944C3H6FISe(2-fluoro-1-iodoethyl)(methyl)selaneN126C[Se]C(I)CFInChI=1S/C3H6FISe/c1-6-3(5)2-4/h3H,2H2,1H3InChIKey=DIYHRKDTELGERM-UHFFFAOYSA-N185.6Ex 185.59(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)CF -8.1Pred
C[Se]CC(F)I16628266.944C3H6FISe(2-fluoro-2-iodoethyl)(methyl)selaneN126C[Se]CC(F)IInChI=1S/C3H6FISe/c1-6-2-3(4)5/h3H,2H2,1H3InChIKey=YVBQWHSJUZYWJT-UHFFFAOYSA-N185.6Ex 185.59(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) C[Se]CC(F)I -8.1Pred
IC[Se]CCF16632266.944C3H6FISe(2-fluoroethyl)(iodomethyl)selaneN126IC[Se]CCFInChI=1S/C3H6FISe/c4-1-2-6-3-5/h1-3H2InChIKey=ZEFPHLLLVJZVJV-UHFFFAOYSA-N197.8Ex 197.82(BP est) 2.95(MP est) ----(BP exp) ----(MP exp) IC[Se]CCF 3Pred
C[Se]CCF16633141.047C3H7FSe(2-fluoroethyl)(methyl)selaneN125C[Se]CCFInChI=1S/C3H7FSe/c1-5-3-2-4/h2-3H2,1H3InChIKey=BYFLQMCZQAYTRW-UHFFFAOYSA-N93.7Ex 93.71(BP est) -56.47(MP est) ----(BP exp) ----(MP exp) C[Se]CCF -56.5Pred
C[Se]CCCI16652262.98C4H9ISe(3-iodopropyl)(methyl)selaneN156C[Se]CCCIInChI=1S/C4H9ISe/c1-6-4-2-3-5/h2-4H2,1H3InChIKey=QIWUSNCHADZLCL-UHFFFAOYSA-N215.5Ex 215.50(BP est) 13.45(MP est) ----(BP exp) ----(MP exp) C[Se]CCCI 13.5Pred
BrC[Se]C(Br)Cl16654301.264C2H3Br2ClSe(bromochloromethyl)(bromomethyl)selaneN96BrC[Se]C(Br)ClInChI=1S/C2H3Br2ClSe/c3-1-6-2(4)5/h2H,1H2InChIKey=PPPGPLWNQUDHBN-UHFFFAOYSA-N239.9Ex 239.88(BP est) 40.49(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Br)Cl 40.5Pred
C[Se]C(I)(Br)F16661331.813C2H3BrFISe(bromofluoroiodomethyl)(methyl)selaneN96C[Se]C(I)(Br)FInChI=1S/C2H3BrFISe/c1-6-2(3,4)5/h1H3InChIKey=FGXSGWYBHZRSSR-UHFFFAOYSA-N222.0Ex 221.99(BP est) 35.48(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)(Br)F 35.5Pred
BrC[Se]C(Br)F16662284.812C2H3Br2FSe(bromofluoromethyl)(bromomethyl)selaneN96BrC[Se]C(Br)FInChI=1S/C2H3Br2FSe/c3-1-6-2(4)5/h2H,1H2InChIKey=YFZMRGDQDCFMTH-UHFFFAOYSA-N201.4Ex 201.36(BP est) 21.62(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Br)F 21.6Pred
IC[Se]C(Br)F16666331.813C2H3BrFISe(bromofluoromethyl)(iodomethyl)selaneN96IC[Se]C(Br)FInChI=1S/C2H3BrFISe/c3-2(4)6-1-5/h2H,1H2InChIKey=IQLXYYBBHBFAIQ-UHFFFAOYSA-N229.4Ex 229.40(BP est) 28.94(MP est) ----(BP exp) ----(MP exp) IC[Se]C(Br)F 28.9Pred
FC[Se]C(Br)I16668331.813C2H3BrFISe(bromoiodomethyl)(fluoromethyl)selaneN96FC[Se]C(Br)IInChI=1S/C2H3BrFISe/c3-2(5)6-1-4/h2H,1H2InChIKey=HKCIFPRKCKNXLJ-UHFFFAOYSA-N229.4Ex 229.40(BP est) 28.94(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Br)I 28.9Pred
C[Se]C(Br)I16669313.822C2H4BrISe(bromoiodomethyl)(methyl)selaneN95C[Se]C(Br)IInChI=1S/C2H4BrISe/c1-5-2(3)4/h2H,1H3InChIKey=UVGRDSLQGDBQCI-UHFFFAOYSA-N227.6Ex 227.58(BP est) 28.11(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)I 28.1Pred
BrC[Se]C(F)I16680331.813C2H3BrFISe(bromomethyl)(fluoroiodomethyl)selaneN96BrC[Se]C(F)IInChI=1S/C2H3BrFISe/c3-1-6-2(4)5/h2H,1H2InChIKey=JVOJWBFLOSZIPS-UHFFFAOYSA-N229.4Ex 229.40(BP est) 28.94(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(F)I 28.9Pred
BrC[Se]CI16682313.822C2H4BrISe(bromomethyl)(iodomethyl)selaneN95BrC[Se]CIInChI=1S/C2H4BrISe/c3-1-5-2-4/h1-2H2InChIKey=KLLNABFJVGREST-UHFFFAOYSA-N238.6Ex 238.64(BP est) 38.84(MP est) ----(BP exp) ----(MP exp) BrC[Se]CI 38.8Pred
C[Se]C(I)(Cl)F16688287.359C2H3ClFISe(chlorofluoroiodomethyl)(methyl)selaneN96C[Se]C(I)(Cl)FInChI=1S/C2H3ClFISe/c1-6-2(3,4)5/h1H3InChIKey=CDPOPQVGWKVXDZ-UHFFFAOYSA-N189.5Ex 189.52(BP est) 11.06(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)(Cl)F 11.1Pred
IC[Se]C(Cl)F16692287.359C2H3ClFISe(chlorofluoromethyl)(iodomethyl)selaneN96IC[Se]C(Cl)FInChI=1S/C2H3ClFISe/c3-2(4)6-1-5/h2H,1H2InChIKey=HRXMDSVMMAWBCS-UHFFFAOYSA-N208.3Ex 208.29(BP est) 7.83(MP est) ----(BP exp) ----(MP exp) IC[Se]C(Cl)F 7.8Pred
ClC[Se]C(Cl)I16694303.81C2H3Cl2ISe(chloroiodomethyl)(chloromethyl)selaneN96ClC[Se]C(Cl)IInChI=1S/C2H3Cl2ISe/c3-1-6-2(4)5/h2H,1H2InChIKey=SJCIKFUGLIBJKE-UHFFFAOYSA-N255.7Ex 255.68(BP est) 36.33(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Cl)I 36.3Pred
ClC(I)[Se]CC16695283.395C3H6ClISe(chloroiodomethyl)(ethyl)selaneN126ClC(I)[Se]CCInChI=1S/C3H6ClISe/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=YPNNKHFSURUYOD-UHFFFAOYSA-N225.5Ex 225.54(BP est) 18.21(MP est) ----(BP exp) ----(MP exp) ClC(I)[Se]CC 18.2Pred
FC[Se]C(Cl)I16696287.359C2H3ClFISe(chloroiodomethyl)(fluoromethyl)selaneN96FC[Se]C(Cl)IInChI=1S/C2H3ClFISe/c3-2(5)6-1-4/h2H,1H2InChIKey=FQYCRTKULKVQNH-UHFFFAOYSA-N208.3Ex 208.29(BP est) 7.83(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Cl)I 7.8Pred
C[Se]C(Cl)I16697269.368C2H4ClISe(chloroiodomethyl)(methyl)selaneN95C[Se]C(Cl)IInChI=1S/C2H4ClISe/c1-5-2(3)4/h2H,1H3InChIKey=NQPUFNPYNSKUSP-UHFFFAOYSA-N206.4Ex 206.37(BP est) 6.98(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)I 7Pred
ClC[Se]C(I)C16699283.395C3H6ClISe(chloromethyl)(1-iodoethyl)selaneN126ClC[Se]C(I)CInChI=1S/C3H6ClISe/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=HUBAZURCPYFUSL-UHFFFAOYSA-N235.6Ex 235.62(BP est) 21.15(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(I)C 21.2Pred
ClC[Se]CCI16701283.395C3H6ClISe(chloromethyl)(2-iodoethyl)selaneN126ClC[Se]CCIInChI=1S/C3H6ClISe/c4-3-6-2-1-5/h1-3H2InChIKey=UDNYKZVTHTYFKK-UHFFFAOYSA-N246.4Ex 246.44(BP est) 31.81(MP est) ----(BP exp) ----(MP exp) ClC[Se]CCI 31.8Pred
ClC[Se]C(Br)Br16703301.264C2H3Br2ClSe(chloromethyl)(dibromomethyl)selaneN96ClC[Se]C(Br)BrInChI=1S/C2H3Br2ClSe/c3-2(4)6-1-5/h2H,1H2InChIKey=UWYOVRIHLMKRCI-UHFFFAOYSA-N249.6Ex 249.57(BP est) 50.36(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(Br)Br 50.4Pred
ClC[Se]C(F)I16707287.359C2H3ClFISe(chloromethyl)(fluoroiodomethyl)selaneN96ClC[Se]C(F)IInChI=1S/C2H3ClFISe/c3-1-6-2(4)5/h2H,1H2InChIKey=LLKHOLNKULSTDK-UHFFFAOYSA-N218.8Ex 218.81(BP est) 10.91(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(F)I 10.9Pred
ClC[Se]CI16709269.368C2H4ClISe(chloromethyl)(iodomethyl)selaneN95ClC[Se]CIInChI=1S/C2H4ClISe/c3-1-5-2-4/h1-2H2InChIKey=YSJLAOZMDIPADV-UHFFFAOYSA-N228.3Ex 228.31(BP est) 20.89(MP est) ----(BP exp) ----(MP exp) ClC[Se]CI 20.9Pred
C[Se]CCl16711143.472C2H5ClSe(chloromethyl)(methyl)selaneN94C[Se]CClInChI=1S/C2H5ClSe/c1-4-2-3/h2H2,1H3InChIKey=GRLGNECHBMPKOK-UHFFFAOYSA-N130.9Ex 130.92(BP est) -36.58(MP est) ----(BP exp) ----(MP exp) C[Se]CCl -36.6Pred
C[Se]C(Cl)(Br)Br16714301.264C2H3Br2ClSe(dibromochloromethyl)(methyl)selaneN96C[Se]C(Cl)(Br)BrInChI=1S/C2H3Br2ClSe/c1-6-2(3,4)5/h1H3InChIKey=LVECVDXBSRQICD-UHFFFAOYSA-N222.5Ex 222.54(BP est) 39.55(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)(Br)Br 39.6Pred
C[Se]C(F)(Br)Br16715284.812C2H3Br2FSe(dibromofluoromethyl)(methyl)selaneN96C[Se]C(F)(Br)BrInChI=1S/C2H3Br2FSe/c1-6-2(3,4)5/h1H3InChIKey=FALGBMOZIUCKHQ-UHFFFAOYSA-N193.4Ex 193.42(BP est) 28.01(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)(Br)Br 28Pred
BrC(Br)[Se]CC16716280.849C3H6Br2Se(dibromomethyl)(ethyl)selaneN126BrC(Br)[Se]CCInChI=1S/C3H6Br2Se/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=GUNWTKUMTYJVDJ-UHFFFAOYSA-N218.9Ex 218.90(BP est) 32.08(MP est) ----(BP exp) ----(MP exp) BrC(Br)[Se]CC 32.1Pred
FC[Se]C(Br)Br16717284.812C2H3Br2FSe(dibromomethyl)(fluoromethyl)selaneN96FC[Se]C(Br)BrInChI=1S/C2H3Br2FSe/c3-2(4)6-1-5/h2H,1H2InChIKey=DBBOLHIGEAHSOP-UHFFFAOYSA-N201.4Ex 201.36(BP est) 21.62(MP est) ----(BP exp) ----(MP exp) FC[Se]C(Br)Br 21.6Pred
C[Se]C(Br)Br16718266.822C2H4Br2Se(dibromomethyl)(methyl)selaneN95C[Se]C(Br)BrInChI=1S/C2H4Br2Se/c1-5-2(3)4/h2H,1H3InChIKey=DACBOZBSPCZQBB-UHFFFAOYSA-N199.4Ex 199.42(BP est) 20.76(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)Br 20.8Pred
C[Se]C(I)(Cl)Cl16720303.81C2H3Cl2ISe(dichloroiodomethyl)(methyl)selaneN96C[Se]C(I)(Cl)ClInChI=1S/C2H3Cl2ISe/c1-6-2(3,4)5/h1H3InChIKey=COMITTAMXLAKJE-UHFFFAOYSA-N218.9Ex 218.89(BP est) 27.59(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)(Cl)Cl 27.6Pred
IC[Se]C(Cl)Cl16723303.81C2H3Cl2ISe(dichloromethyl)(iodomethyl)selaneN96IC[Se]C(Cl)ClInChI=1S/C2H3Cl2ISe/c3-2(4)6-1-5/h2H,1H2InChIKey=CXPOBCOAZPHNNB-UHFFFAOYSA-N246.2Ex 246.16(BP est) 33.55(MP est) ----(BP exp) ----(MP exp) IC[Se]C(Cl)Cl 33.6Pred
C[Se]C(I)(F)F16725270.907C2H3F2ISe(difluoroiodomethyl)(methyl)selaneN96C[Se]C(I)(F)FInChI=1S/C2H3F2ISe/c1-6-2(3,4)5/h1H3InChIKey=KHGLMCLAARDIFF-UHFFFAOYSA-N158.1Ex 158.14(BP est) -12.76(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)(F)F -12.8Pred
IC[Se]C(F)F16728270.907C2H3F2ISe(difluoromethyl)(iodomethyl)selaneN96IC[Se]C(F)FInChI=1S/C2H3F2ISe/c3-2(4)6-1-5/h2H,1H2InChIKey=GXRKIHQXHVHZBR-UHFFFAOYSA-N166.7Ex 166.68(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) IC[Se]C(F)F -19Pred
C[Se]C(F)F16729145.011C2H4F2Se(difluoromethyl)(methyl)selaneN95C[Se]C(F)FInChI=1S/C2H4F2Se/c1-5-2(3)4/h2H,1H3InChIKey=ZRZIADCMSNSRDL-UHFFFAOYSA-N56.2Ex 56.17(BP est) -80.27(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)F -80.3Pred
FC[Se]C(F)I16730270.907C2H3F2ISe(fluoroiodomethyl)(fluoromethyl)selaneN96FC[Se]C(F)IInChI=1S/C2H3F2ISe/c3-1-6-2(4)5/h2H,1H2InChIKey=PVJBLOFAMJVYND-UHFFFAOYSA-N166.7Ex 166.68(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) FC[Se]C(F)I -19Pred
FC[Se]C(I)C16732266.944C3H6FISe(fluoromethyl)(1-iodoethyl)selaneN126FC[Se]C(I)CInChI=1S/C3H6FISe/c1-3(5)6-2-4/h3H,2H2,1H3InChIKey=DUJWZQSYTYMEBL-UHFFFAOYSA-N185.6Ex 185.59(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) FC[Se]C(I)C -8.1Pred
FC[Se]CCI16733266.944C3H6FISe(fluoromethyl)(2-iodoethyl)selaneN126FC[Se]CCIInChI=1S/C3H6FISe/c4-3-6-2-1-5/h1-3H2InChIKey=QSLMBAJZQRRBAY-UHFFFAOYSA-N197.8Ex 197.82(BP est) 2.95(MP est) ----(BP exp) ----(MP exp) FC[Se]CCI 3Pred
IC[Se]C(C)C16739262.98C4H9ISe(iodomethyl)(isopropyl)selaneN156IC[Se]C(C)CInChI=1S/C4H9ISe/c1-4(2)6-3-5/h4H,3H2,1-2H3InChIKey=CVFZRLFHCZFUFA-UHFFFAOYSA-N203.8Ex 203.76(BP est) 2.53(MP est) ----(BP exp) ----(MP exp) IC[Se]C(C)C 2.5Pred
IC[Se]CCC16742262.98C4H9ISe(iodomethyl)(propyl)selaneN156IC[Se]CCCInChI=1S/C4H9ISe/c1-2-3-6-4-5/h2-4H2,1H3InChIKey=YMBJCQKBOINXOK-UHFFFAOYSA-N215.5Ex 215.50(BP est) 13.45(MP est) ----(BP exp) ----(MP exp) IC[Se]CCC 13.5Pred
[SeH]C(CF)(Br)Br16749284.812C2H3Br2FSe1,1-dibromo-2-fluoroethane-1-selenolN96[Se]([H])C(CF)(Br)BrInChI=1S/C2H3Br2FSe/c3-2(4,6)1-5/h6H,1H2InChIKey=PMNGZCUKMFPVLN-UHFFFAOYSA-N195.3Ex 195.29(BP est) 24.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Br)Br 24.6Pred
[SeH]C(C)(Br)Br16750266.822C2H4Br2Se1,1-dibromoethane-1-selenolN95[Se]([H])C(C)(Br)BrInChI=1S/C2H4Br2Se/c1-2(3,4)5/h5H,1H3InChIKey=FCKDIKVITGYASJ-UHFFFAOYSA-N193.3Ex 193.32(BP est) 23.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(Br)Br 23.7Pred
[SeH]C(C=C)(Br)Br16751278.833C3H4Br2Se1,1-dibromoprop-2-ene-1-selenolN106[Se]([H])C(C=C)(Br)BrInChI=1S/C3H4Br2Se/c1-2-3(4,5)6/h2,6H,1H2InChIKey=JBUCTJQKDGYSRW-UHFFFAOYSA-N211.6Ex 211.63(BP est) 33.95(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(Br)Br 34Pred
[SeH]C(C#C)(Br)Br16752276.817C3H2Br2Se1,1-dibromoprop-2-yne-1-selenolN86[Se]([H])C(C#C)(Br)BrInChI=1S/C3H2Br2Se/c1-2-3(4,5)6/h1,6HInChIKey=UXODIAPJQGFHRP-UHFFFAOYSA-N219.8Ex 219.80(BP est) 43.70(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(Br)Br 43.7Pred
[SeH]C(CC)(Br)Br16753280.849C3H6Br2Se1,1-dibromopropane-1-selenolN126[Se]([H])C(CC)(Br)BrInChI=1S/C3H6Br2Se/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=GYGZVSCJADPTNB-UHFFFAOYSA-N213.1Ex 213.08(BP est) 35.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(Br)Br 35.1Pred
[SeH]C(C)C(Br)Br16754280.849C3H6Br2Se1,1-dibromopropane-2-selenolN126[Se]([H])C(C)C(Br)BrInChI=1S/C3H6Br2Se/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=SZAQPJQARDKZHU-UHFFFAOYSA-N209.1Ex 209.07(BP est) 29.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(Br)Br 29.9Pred
[SeH]C(CI)(F)F16761270.907C2H3F2ISe1,1-difluoro-2-iodoethane-1-selenolN96[Se]([H])C(CI)(F)FInChI=1S/C2H3F2ISe/c3-2(4,6)1-5/h6H,1H2InChIKey=OZTYRICATSKUOK-UHFFFAOYSA-N160.1Ex 160.14(BP est) -3.99(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)(F)F -4Pred
[SeH]C(C)(F)F16762145.011C2H4F2Se1,1-difluoroethane-1-selenolN95[Se]([H])C(C)(F)FInChI=1S/C2H4F2Se/c1-2(3,4)5/h5H,1H3InChIKey=UWYCHHRAAAMQHH-UHFFFAOYSA-N48.3Ex 48.34(BP est) -65.66(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(F)F -65.7Pred
[SeH]C(CBr)(Br)F16769284.812C2H3Br2FSe1,2-dibromo-1-fluoroethane-1-selenolN96[Se]([H])C(CBr)(Br)FInChI=1S/C2H3Br2FSe/c3-1-2(4,5)6/h6H,1H2InChIKey=PTEOZCYTYMULNZ-UHFFFAOYSA-N195.3Ex 195.29(BP est) 24.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(Br)F 24.6Pred
[SeH]C(Br)C(Br)F16770284.812C2H3Br2FSe1,2-dibromo-2-fluoroethane-1-selenolN96[Se]([H])C(Br)C(Br)FInChI=1S/C2H3Br2FSe/c3-1(5)2(4)6/h1-2,6HInChIKey=BNHLYFONBFFHQV-UHFFFAOYSA-N191.1Ex 191.11(BP est) 19.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(Br)F 19.3Pred
[SeH]C1(Br)C(Br)C116771278.833C3H4Br2Se1,2-dibromocyclopropane-1-selenolN106[Se]([H])C1(Br)C(Br)C1InChI=1S/C3H4Br2Se/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=HVAHZXFLLOUEME-UHFFFAOYSA-N219.8Ex 219.81(BP est) 40.76(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Br)C(Br)C1 40.8Pred
[SeH]C(Br)CBr16772266.822C2H4Br2Se1,2-dibromoethane-1-selenolN95[Se]([H])C(Br)CBrInChI=1S/C2H4Br2Se/c3-1-2(4)5/h2,5H,1H2InChIKey=NZESLHXLIXXMGN-UHFFFAOYSA-N201.3Ex 201.26(BP est) 29.48(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CBr 29.5Pred
[SeH]C(Br)C(Br)=C16773278.833C3H4Br2Se1,2-dibromoprop-2-ene-1-selenolN106[Se]([H])C(Br)C(Br)=CInChI=1S/C3H4Br2Se/c1-2(4)3(5)6/h3,6H,1H2InChIKey=OARWCGDROWBYRZ-UHFFFAOYSA-N214.0Ex 214.02(BP est) 30.98(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(Br)=C 31Pred
[SeH]C(Br)C(Br)C16774280.849C3H6Br2Se1,2-dibromopropane-1-selenolN126[Se]([H])C(Br)C(Br)CInChI=1S/C3H6Br2Se/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=PCWLJCAZZSQYGA-UHFFFAOYSA-N209.1Ex 209.07(BP est) 29.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(Br)C 29.9Pred
[SeH]C(CBr)(Br)C16775280.849C3H6Br2Se1,2-dibromopropane-2-selenolN126[Se]([H])C(CBr)(Br)CInChI=1S/C3H6Br2Se/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=OCSHMRXSOVXVLV-UHFFFAOYSA-N213.1Ex 213.08(BP est) 35.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(Br)C 35.1Pred
[SeH]C(CF)(F)I16783270.907C2H3F2ISe1,2-difluoro-1-iodoethane-1-selenolN96[Se]([H])C(CF)(F)IInChI=1S/C2H3F2ISe/c3-1-2(4,5)6/h6H,1H2InChIKey=PKFFPHOTYVYLMG-UHFFFAOYSA-N160.1Ex 160.14(BP est) -3.99(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(F)I -4Pred
[SeH]C(F)C(F)I16784270.907C2H3F2ISe1,2-difluoro-2-iodoethane-1-selenolN96[Se]([H])C(F)C(F)IInChI=1S/C2H3F2ISe/c3-1(5)2(4)6/h1-2,6HInChIKey=YPHYPPBGGUPBHG-UHFFFAOYSA-N155.7Ex 155.65(BP est) -21.51(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(F)I -21.5Pred
[SeH]C(F)CF16786145.011C2H4F2Se1,2-difluoroethane-1-selenolN95[Se]([H])C(F)CFInChI=1S/C2H4F2Se/c3-1-2(4)5/h2,5H,1H2InChIKey=FTDFCKPMTCKSEZ-UHFFFAOYSA-N58.5Ex 58.54(BP est) -71.40(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CF -71.4Pred
[SeH]C(Br)C=CBr16790278.833C3H4Br2Se1,3-dibromoprop-2-ene-1-selenolN106[Se]([H])C(Br)C=CBrInChI=1S/C3H4Br2Se/c4-2-1-3(5)6/h1-3,6HInChIKey=LWXQSUPRFOBDBQ-UHFFFAOYSA-N226.5Ex 226.45(BP est) 32.81(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C=CBr 32.8Pred
[SeH]C(Br)C#CBr16791276.817C3H2Br2Se1,3-dibromoprop-2-yne-1-selenolN86[Se]([H])C(Br)C#CBrInChI=1S/C3H2Br2Se/c4-2-1-3(5)6/h3,6HInChIKey=WJDSZGAYRRQFHA-UHFFFAOYSA-N234.1Ex 234.14(BP est) 60.41(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C#CBr 60.4Pred
[SeH]C(Br)CCBr16792280.849C3H6Br2Se1,3-dibromopropane-1-selenolN126[Se]([H])C(Br)CCBrInChI=1S/C3H6Br2Se/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=UCDSOKBEKUPJKV-UHFFFAOYSA-N220.7Ex 220.66(BP est) 32.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)CCBr 32.3Pred
[SeH]C(CBr)CBr16793280.849C3H6Br2Se1,3-dibromopropane-2-selenolN126[Se]([H])C(CBr)CBrInChI=1S/C3H6Br2Se/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=MZTVHAHSFSWLCN-UHFFFAOYSA-N220.7Ex 220.66(BP est) 32.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)CBr 32.3Pred
[SeH]C(CI)(Br)F16810331.813C2H3BrFISe1-bromo-1-fluoro-2-iodoethane-1-selenolN96[Se]([H])C(CI)(Br)FInChI=1S/C2H3BrFISe/c3-2(4,6)1-5/h6H,1H2InChIKey=VWKHMJNQOAOWCJ-UHFFFAOYSA-N223.7Ex 223.73(BP est) 35.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)(Br)F 35.1Pred
[SeH]C(I)(Br)CF16825331.813C2H3BrFISe1-bromo-2-fluoro-1-iodoethane-1-selenolN96[Se]([H])C(I)(Br)CFInChI=1S/C2H3BrFISe/c3-2(5,6)1-4/h6H,1H2InChIKey=XUWGKCDSSVYRTQ-UHFFFAOYSA-N223.7Ex 223.73(BP est) 35.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)(Br)CF 35.1Pred
[SeH]C(Br)C(F)I16826331.813C2H3BrFISe1-bromo-2-fluoro-2-iodoethane-1-selenolN96[Se]([H])C(Br)C(F)IInChI=1S/C2H3BrFISe/c3-1(6)2(4)5/h1-2,6HInChIKey=UMWAVRJLIXMLBU-UHFFFAOYSA-N219.8Ex 219.83(BP est) 26.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)C(F)I 26.8Pred
[SeH]C(CI)(Cl)F16856287.359C2H3ClFISe1-chloro-1-fluoro-2-iodoethane-1-selenolN96[Se]([H])C(CI)(Cl)FInChI=1S/C2H3ClFISe/c3-2(4,6)1-5/h6H,1H2InChIKey=VDIHKLPSLKGZTL-UHFFFAOYSA-N191.4Ex 191.40(BP est) 19.80(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)(Cl)F 19.8Pred
[SeH]C(C)(Cl)I16862269.368C2H4ClISe1-chloro-1-iodoethane-1-selenolN95[Se]([H])C(C)(Cl)IInChI=1S/C2H4ClISe/c1-2(3,4)5/h5H,1H3InChIKey=WRJBEOTWNRAJAB-UHFFFAOYSA-N189.4Ex 189.41(BP est) 18.92(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(Cl)I 18.9Pred
[SeH]C(C=C)(Cl)I16863281.379C3H4ClISe1-chloro-1-iodoprop-2-ene-1-selenolN106[Se]([H])C(C=C)(Cl)IInChI=1S/C3H4ClISe/c1-2-3(4,5)6/h2,6H,1H2InChIKey=ZBJSNJIGPOQQRR-UHFFFAOYSA-N207.9Ex 207.89(BP est) 29.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(Cl)I 29.1Pred
[SeH]C(C#C)(Cl)I16864279.363C3H2ClISe1-chloro-1-iodoprop-2-yne-1-selenolN86[Se]([H])C(C#C)(Cl)IInChI=1S/C3H2ClISe/c1-2-3(4,5)6/h1,6HInChIKey=GJNYOSGJXXQONV-UHFFFAOYSA-N216.1Ex 216.13(BP est) 34.19(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(Cl)I 34.2Pred
[SeH]C(CC)(Cl)I16865283.395C3H6ClISe1-chloro-1-iodopropane-1-selenolN126[Se]([H])C(CC)(Cl)IInChI=1S/C3H6ClISe/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=MDPBKXQGSYWUKC-UHFFFAOYSA-N209.3Ex 209.34(BP est) 23.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(Cl)I 23.1Pred
[SeH]C(C)C(Cl)I16866283.395C3H6ClISe1-chloro-1-iodopropane-2-selenolN126[Se]([H])C(C)C(Cl)IInChI=1S/C3H6ClISe/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=BHXQLGJLJSTQNF-UHFFFAOYSA-N215.9Ex 215.87(BP est) 16.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(Cl)I 16.1Pred
[SeH]C(CF)(Cl)I16868287.359C2H3ClFISe1-chloro-2-fluoro-1-iodoethane-1-selenolN96[Se]([H])C(CF)(Cl)IInChI=1S/C2H3ClFISe/c3-2(5,6)1-4/h6H,1H2InChIKey=XCDLTZYKFCAECB-UHFFFAOYSA-N191.4Ex 191.40(BP est) 19.80(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(Cl)I 19.8Pred
[SeH]C(Cl)C(F)I16869287.359C2H3ClFISe1-chloro-2-fluoro-2-iodoethane-1-selenolN96[Se]([H])C(Cl)C(F)IInChI=1S/C2H3ClFISe/c3-1(6)2(4)5/h1-2,6HInChIKey=LIIWDBPJMSIQJN-UHFFFAOYSA-N198.2Ex 198.20(BP est) 5.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(F)I 5.6Pred
[SeH]C1(Cl)C(I)C116875281.379C3H4ClISe1-chloro-2-iodocyclopropane-1-selenolN106[Se]([H])C1(Cl)C(I)C1InChI=1S/C3H4ClISe/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=SLWLYAVNIAXRHS-UHFFFAOYSA-N216.1Ex 216.14(BP est) 37.48(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(Cl)C(I)C1 37.5Pred
[SeH]C(Cl)CI16876269.368C2H4ClISe1-chloro-2-iodoethane-1-selenolN95[Se]([H])C(Cl)CIInChI=1S/C2H4ClISe/c3-2(5)1-4/h2,5H,1H2InChIKey=SDYVYPOOPIEGPA-UHFFFAOYSA-N208.2Ex 208.18(BP est) 15.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)CI 15.7Pred
[SeH]C(Cl)C(I)=C16877281.379C3H4ClISe1-chloro-2-iodoprop-2-ene-1-selenolN106[Se]([H])C(Cl)C(I)=CInChI=1S/C3H4ClISe/c1-2(5)3(4)6/h3,6H,1H2InChIKey=YKNGEFPUUKKUHO-UHFFFAOYSA-N220.7Ex 220.74(BP est) 17.13(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(I)=C 17.1Pred
[SeH]C(Cl)C(I)C16878283.395C3H6ClISe1-chloro-2-iodopropane-1-selenolN126[Se]([H])C(Cl)C(I)CInChI=1S/C3H6ClISe/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=PBMJZKDRAHLORP-UHFFFAOYSA-N215.9Ex 215.87(BP est) 16.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C(I)C 16.1Pred
[SeH]C(CCl)(I)C16879283.395C3H6ClISe1-chloro-2-iodopropane-2-selenolN126[Se]([H])C(CCl)(I)CInChI=1S/C3H6ClISe/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=KSNLCWFBRQNXCN-UHFFFAOYSA-N230.0Ex 230.04(BP est) 36.42(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(I)C 36.4Pred
[SeH]C(Cl)C=CI16885281.379C3H4ClISe1-chloro-3-iodoprop-2-ene-1-selenolN106[Se]([H])C(Cl)C=CIInChI=1S/C3H4ClISe/c4-3(6)1-2-5/h1-3,6HInChIKey=KQBNICCSVWQYSD-UHFFFAOYSA-N233.0Ex 232.96(BP est) 26.02(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C=CI 26Pred
[SeH]C(Cl)C#CI16886279.363C3H2ClISe1-chloro-3-iodoprop-2-yne-1-selenolN86[Se]([H])C(Cl)C#CIInChI=1S/C3H2ClISe/c4-3(6)1-2-5/h3,6HInChIKey=ZVLNQPVERLHIEP-UHFFFAOYSA-N240.5Ex 240.52(BP est) 55.30(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C#CI 55.3Pred
[SeH]C(Cl)CCI16887283.395C3H6ClISe1-chloro-3-iodopropane-1-selenolN126[Se]([H])C(Cl)CCIInChI=1S/C3H6ClISe/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=HVVPKIUCVWJBLU-UHFFFAOYSA-N227.3Ex 227.27(BP est) 26.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)CCI 26.9Pred
[SeH]C(CCl)CI16888283.395C3H6ClISe1-chloro-3-iodopropane-2-selenolN126[Se]([H])C(CCl)CIInChI=1S/C3H6ClISe/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=LIHFMPNRMFNZSM-UHFFFAOYSA-N237.3Ex 237.30(BP est) 29.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)CI 29.8Pred
[SeH]C(Cl)C16898143.472C2H5ClSe1-chloroethane-1-selenolN94[Se]([H])C(Cl)CInChI=1S/C2H5ClSe/c1-2(3)4/h2,4H,1H3InChIKey=CUNSGUMNDAEYOG-UHFFFAOYSA-N106.3Ex 106.30(BP est) -43.08(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)C -43.1Pred
[SeH]C1(C#C)CC116904145.063C5H6Se1-ethynylcyclopropane-1-selenolN126[Se]([H])C1(C#C)CC1InChI=1S/C5H6Se/c1-2-5(6)3-4-5/h1,6H,3-4H2InChIKey=CVLIFMOGTXQBEF-UHFFFAOYSA-N140.2Ex 140.15(BP est) 20.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C#C)CC1 20.7Pred
[SeH]C(C=C)(F)I16906264.928C3H4FISe1-fluoro-1-iodoprop-2-ene-1-selenolN106[Se]([H])C(C=C)(F)IInChI=1S/C3H4FISe/c1-2-3(4,5)6/h2,6H,1H2InChIKey=ASISTUMMXUSWGA-UHFFFAOYSA-N177.7Ex 177.74(BP est) 5.61(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)(F)I 5.6Pred
[SeH]C(CC)(F)I16908266.944C3H6FISe1-fluoro-1-iodopropane-1-selenolN126[Se]([H])C(CC)(F)IInChI=1S/C3H6FISe/c1-2-3(4,5)6/h6H,2H2,1H3InChIKey=ARPADQSPZCUDMI-UHFFFAOYSA-N179.3Ex 179.30(BP est) 6.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(F)I 6.9Pred
[SeH]C(C)C(F)I16909266.944C3H6FISe1-fluoro-1-iodopropane-2-selenolN126[Se]([H])C(C)C(F)IInChI=1S/C3H6FISe/c1-2(6)3(4)5/h2-3,6H,1H3InChIKey=JHELHTGQEHYCKT-UHFFFAOYSA-N175.0Ex 174.98(BP est) -10.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(F)I -10.5Pred
[SeH]C1(F)C(I)C116910264.928C3H4FISe1-fluoro-2-iodocyclopropane-1-selenolN106[Se]([H])C1(F)C(I)C1InChI=1S/C3H4FISe/c4-3(6)1-2(3)5/h2,6H,1H2InChIKey=MKXALUGQHJRLGB-UHFFFAOYSA-N186.6Ex 186.57(BP est) 26.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(F)C(I)C1 26.7Pred
[SeH]C(F)C(I)=C16912264.928C3H4FISe1-fluoro-2-iodoprop-2-ene-1-selenolN106[Se]([H])C(F)C(I)=CInChI=1S/C3H4FISe/c1-2(5)3(4)6/h3,6H,1H2InChIKey=RZPQJVZMRBWGOH-UHFFFAOYSA-N180.3Ex 180.31(BP est) -9.33(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(I)=C -9.3Pred
[SeH]C(F)C(I)C16913266.944C3H6FISe1-fluoro-2-iodopropane-1-selenolN126[Se]([H])C(F)C(I)CInChI=1S/C3H6FISe/c1-2(5)3(4)6/h2-3,6H,1H3InChIKey=BXAQZYGGTHMADS-UHFFFAOYSA-N175.0Ex 174.98(BP est) -10.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(I)C -10.5Pred
[SeH]C(CF)(I)C16914266.944C3H6FISe1-fluoro-2-iodopropane-2-selenolN126[Se]([H])C(CF)(I)CInChI=1S/C3H6FISe/c1-3(5,6)2-4/h6H,2H2,1H3InChIKey=UACFECSIWZMIDK-UHFFFAOYSA-N179.3Ex 179.30(BP est) 6.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CF)(I)C 6.9Pred
[SeH]C(F)C=CI16916264.928C3H4FISe1-fluoro-3-iodoprop-2-ene-1-selenolN106[Se]([H])C(F)C=CIInChI=1S/C3H4FISe/c4-3(6)1-2-5/h1-3,6HInChIKey=KJVULZUVWZJPIM-UHFFFAOYSA-N193.8Ex 193.75(BP est) -0.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C=CI -0.1Pred
[SeH]C(F)CCI16918266.944C3H6FISe1-fluoro-3-iodopropane-1-selenolN126[Se]([H])C(F)CCIInChI=1S/C3H6FISe/c4-3(6)1-2-5/h3,6H,1-2H2InChIKey=JWUXSVLNWOAKAK-UHFFFAOYSA-N187.5Ex 187.49(BP est) 0.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CCI 0.6Pred
[SeH]C(CI)CF16919266.944C3H6FISe1-fluoro-3-iodopropane-2-selenolN126[Se]([H])C(CI)CFInChI=1S/C3H6FISe/c4-1-3(6)2-5/h3,6H,1-2H2InChIKey=KLDONZWOSRUFGJ-UHFFFAOYSA-N187.5Ex 187.49(BP est) 0.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)CF 0.6Pred
[SeH]C(F)CC16932141.047C3H7FSe1-fluoropropane-1-selenolN125[Se]([H])C(F)CCInChI=1S/C3H7FSe/c1-2-3(4)5/h3,5H,2H2,1H3InChIKey=YJZWHPNHSCVZMV-UHFFFAOYSA-N81.2Ex 81.21(BP est) -59.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)CC -59.4Pred
[SeH]C(C)CF16933141.047C3H7FSe1-fluoropropane-2-selenolN125[Se]([H])C(C)CFInChI=1S/C3H7FSe/c1-3(5)2-4/h3,5H,2H2,1H3InChIKey=DJDXIONTJUXBBQ-UHFFFAOYSA-N81.2Ex 81.21(BP est) -59.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CF -59.4Pred
[SeH]C(CI)(C)C16934262.98C4H9ISe1-iodo-2-methylpropane-2-selenolN156[Se]([H])C(CI)(C)CInChI=1S/C4H9ISe/c1-4(2,6)3-5/h6H,3H2,1-2H3InChIKey=DVPFPHHROZVPKR-UHFFFAOYSA-N197.7Ex 197.72(BP est) 17.66(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)(C)C 17.7Pred
[SeH]C(I)CCC16939262.98C4H9ISe1-iodobutane-1-selenolN156[Se]([H])C(I)CCCInChI=1S/C4H9ISe/c1-2-3-4(5)6/h4,6H,2-3H2,1H3InChIKey=JFHRXONUGOJWRB-UHFFFAOYSA-N205.6Ex 205.59(BP est) 11.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CCC 11.3Pred
[SeH]C(CI)CC16940262.98C4H9ISe1-iodobutane-2-selenolN156[Se]([H])C(CI)CCInChI=1S/C4H9ISe/c1-2-4(6)3-5/h4,6H,2-3H2,1H3InChIKey=RGWLNEGYIHMYMB-UHFFFAOYSA-N205.6Ex 205.59(BP est) 11.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)CC 11.3Pred
[SeH]C1(C)C=CC116949147.079C5H8Se1-methylcyclobut-2-ene-1-selenolN146[Se]([H])C1(C)C=CC1InChI=1S/C5H8Se/c1-5(6)3-2-4-5/h2-3,6H,4H2,1H3InChIKey=FYLYXZKBXVJPKE-UHFFFAOYSA-N137.3Ex 137.27(BP est) -5.05(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C)C=CC1 -5.1Pred
[SeH]C1(C=C)CC116952147.079C5H8Se1-vinylcyclopropane-1-selenolN146[Se]([H])C1(C=C)CC1InChI=1S/C5H8Se/c1-2-5(6)3-4-5/h2,6H,1,3-4H2InChIKey=AQUFTVDBVWWZQS-UHFFFAOYSA-N130.5Ex 130.51(BP est) -6.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(C=C)CC1 -6.5Pred
[SeH]C(F)C(Br)Br16955284.812C2H3Br2FSe2,2-dibromo-1-fluoroethane-1-selenolN96[Se]([H])C(F)C(Br)BrInChI=1S/C2H3Br2FSe/c3-1(4)2(5)6/h1-2,6HInChIKey=JXJAHHZUHONLBO-UHFFFAOYSA-N191.1Ex 191.11(BP est) 19.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Br)Br 19.3Pred
[SeH]CC(F)(Br)Br16956284.812C2H3Br2FSe2,2-dibromo-2-fluoroethane-1-selenolN96[Se]([H])CC(F)(Br)BrInChI=1S/C2H3Br2FSe/c3-2(4,5)1-6/h6H,1H2InChIKey=XDBDAKGWXAQLMI-UHFFFAOYSA-N195.3Ex 195.29(BP est) 24.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)(Br)Br 24.6Pred
[SeH]C1C(Br)(Br)C116957278.833C3H4Br2Se2,2-dibromocyclopropane-1-selenolN106[Se]([H])C1C(Br)(Br)C1InChI=1S/C3H4Br2Se/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=RRVUIGLRIVFXHR-UHFFFAOYSA-N219.8Ex 219.81(BP est) 40.76(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Br)(Br)C1 40.8Pred
[SeH]CC(Br)Br16958266.822C2H4Br2Se2,2-dibromoethane-1-selenolN95[Se]([H])CC(Br)BrInChI=1S/C2H4Br2Se/c3-2(4)1-5/h2,5H,1H2InChIKey=AHXNOHWONGEDEP-UHFFFAOYSA-N201.3Ex 201.26(BP est) 29.48(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)Br 29.5Pred
[SeH]CC(C)(Br)Br16959280.849C3H6Br2Se2,2-dibromopropane-1-selenolN126[Se]([H])CC(C)(Br)BrInChI=1S/C3H6Br2Se/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=KAFRLMYNJWKUGF-UHFFFAOYSA-N213.1Ex 213.08(BP est) 35.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(Br)Br 35.1Pred
[SeH]C(I)C(F)F16965270.907C2H3F2ISe2,2-difluoro-1-iodoethane-1-selenolN96[Se]([H])C(I)C(F)FInChI=1S/C2H3F2ISe/c3-1(4)2(5)6/h1-2,6HInChIKey=VHZOOGGWWOIJQS-UHFFFAOYSA-N155.7Ex 155.65(BP est) -21.51(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(F)F -21.5Pred
[SeH]CC(I)(F)F16966270.907C2H3F2ISe2,2-difluoro-2-iodoethane-1-selenolN96[Se]([H])CC(I)(F)FInChI=1S/C2H3F2ISe/c3-2(4,5)1-6/h6H,1H2InChIKey=KWDAYKQJGLAXLE-UHFFFAOYSA-N160.1Ex 160.14(BP est) -3.99(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)(F)F -4Pred
[SeH]CC(F)F16968145.011C2H4F2Se2,2-difluoroethane-1-selenolN95[Se]([H])CC(F)FInChI=1S/C2H4F2Se/c3-2(4)1-5/h2,5H,1H2InChIKey=UWFXVJRSGXRJAK-UHFFFAOYSA-N58.5Ex 58.54(BP est) -71.40(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)F -71.4Pred
[SeH]C1C(Br)C1Br16970278.833C3H4Br2Se2,3-dibromocyclopropane-1-selenolN106[Se]([H])C1C(Br)C1BrInChI=1S/C3H4Br2Se/c4-1-2(5)3(1)6/h1-3,6HInChIKey=MSFLXDUMRLYVNX-UHFFFAOYSA-N224.3Ex 224.30(BP est) 41.82(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(Br)C1Br 41.8Pred
[SeH]CC(Br)=CBr16971278.833C3H4Br2Se2,3-dibromoprop-2-ene-1-selenolN106[Se]([H])CC(Br)=CBrInChI=1S/C3H4Br2Se/c4-1-3(5)2-6/h1,6H,2H2InChIKey=GPFKWXJVNLTBRT-UHFFFAOYSA-N232.6Ex 232.56(BP est) 35.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)=CBr 35.5Pred
[SeH]CC(Br)CBr16972280.849C3H6Br2Se2,3-dibromopropane-1-selenolN126[Se]([H])CC(Br)CBrInChI=1S/C3H6Br2Se/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=WMIVMRPZTDJKLI-UHFFFAOYSA-N220.7Ex 220.66(BP est) 32.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Br)CBr 32.3Pred
[SeH]C(CBr)(F)I16990331.813C2H3BrFISe2-bromo-1-fluoro-1-iodoethane-1-selenolN96[Se]([H])C(CBr)(F)IInChI=1S/C2H3BrFISe/c3-1-2(4,5)6/h6H,1H2InChIKey=BPDRZKFGQFLOKP-UHFFFAOYSA-N223.7Ex 223.73(BP est) 35.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CBr)(F)I 35.1Pred
[SeH]C(F)C(Br)I16991331.813C2H3BrFISe2-bromo-1-fluoro-2-iodoethane-1-selenolN96[Se]([H])C(F)C(Br)IInChI=1S/C2H3BrFISe/c3-1(5)2(4)6/h1-2,6HInChIKey=GLETTXZPFYSIOX-UHFFFAOYSA-N219.8Ex 219.83(BP est) 26.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Br)I 26.8Pred
[SeH]C(I)C(Br)F17005331.813C2H3BrFISe2-bromo-2-fluoro-1-iodoethane-1-selenolN96[Se]([H])C(I)C(Br)FInChI=1S/C2H3BrFISe/c3-1(4)2(5)6/h1-2,6HInChIKey=SCBRUNLBILBBLH-UHFFFAOYSA-N219.8Ex 219.83(BP est) 26.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(Br)F 26.8Pred
[SeH]CC(I)(Br)F17006331.813C2H3BrFISe2-bromo-2-fluoro-2-iodoethane-1-selenolN96[Se]([H])CC(I)(Br)FInChI=1S/C2H3BrFISe/c3-2(4,5)1-6/h6H,1H2InChIKey=OPRZQSMBWMXQQL-UHFFFAOYSA-N223.7Ex 223.73(BP est) 35.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)(Br)F 35.1Pred
[SeH]C(CCl)(F)I17032287.359C2H3ClFISe2-chloro-1-fluoro-1-iodoethane-1-selenolN96[Se]([H])C(CCl)(F)IInChI=1S/C2H3ClFISe/c3-1-2(4,5)6/h6H,1H2InChIKey=ZTPVKKXSJRRIAF-UHFFFAOYSA-N213.0Ex 212.99(BP est) 26.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CCl)(F)I 26.1Pred
[SeH]C(F)C(Cl)I17033287.359C2H3ClFISe2-chloro-1-fluoro-2-iodoethane-1-selenolN96[Se]([H])C(F)C(Cl)IInChI=1S/C2H3ClFISe/c3-1(5)2(4)6/h1-2,6HInChIKey=GFSSSIYCBHMPCD-UHFFFAOYSA-N198.2Ex 198.20(BP est) 5.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)C(Cl)I 5.6Pred
[SeH]C1(I)C(Cl)C117039281.379C3H4ClISe2-chloro-1-iodocyclopropane-1-selenolN106[Se]([H])C1(I)C(Cl)C1InChI=1S/C3H4ClISe/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=PIIVOBLWZYSOSY-UHFFFAOYSA-N226.4Ex 226.44(BP est) 41.49(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(I)C(Cl)C1 41.5Pred
[SeH]C(I)CCl17040269.368C2H4ClISe2-chloro-1-iodoethane-1-selenolN95[Se]([H])C(I)CClInChI=1S/C2H4ClISe/c3-1-2(4)5/h2,5H,1H2InChIKey=NYPIULLQFHRLJU-UHFFFAOYSA-N218.7Ex 218.71(BP est) 18.77(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CCl 18.8Pred
[SeH]C(I)C(Cl)=C17041281.379C3H4ClISe2-chloro-1-iodoprop-2-ene-1-selenolN106[Se]([H])C(I)C(Cl)=CInChI=1S/C3H4ClISe/c1-2(4)3(5)6/h3,6H,1H2InChIKey=POXRGCWRKLRSED-UHFFFAOYSA-N208.6Ex 208.56(BP est) 13.58(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(Cl)=C 13.6Pred
[SeH]C(I)C(Cl)C17042283.395C3H6ClISe2-chloro-1-iodopropane-1-selenolN126[Se]([H])C(I)C(Cl)CInChI=1S/C3H6ClISe/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=SALROYRNKVSPQJ-UHFFFAOYSA-N215.9Ex 215.87(BP est) 16.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(Cl)C 16.1Pred
[SeH]C(CI)(Cl)C17043283.395C3H6ClISe2-chloro-1-iodopropane-2-selenolN126[Se]([H])C(CI)(Cl)CInChI=1S/C3H6ClISe/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=HEQOEOUVYPJQIT-UHFFFAOYSA-N209.3Ex 209.34(BP est) 23.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)(Cl)C 23.1Pred
[SeH]C(I)C(Cl)F17046287.359C2H3ClFISe2-chloro-2-fluoro-1-iodoethane-1-selenolN96[Se]([H])C(I)C(Cl)FInChI=1S/C2H3ClFISe/c3-1(4)2(5)6/h1-2,6HInChIKey=DZSMNQCDPNNSDG-UHFFFAOYSA-N198.2Ex 198.20(BP est) 5.57(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(Cl)F 5.6Pred
[SeH]CC(I)(Cl)F17047287.359C2H3ClFISe2-chloro-2-fluoro-2-iodoethane-1-selenolN96[Se]([H])CC(I)(Cl)FInChI=1S/C2H3ClFISe/c3-2(4,5)1-6/h6H,1H2InChIKey=XXBNRHGIKHXEQT-UHFFFAOYSA-N191.4Ex 191.40(BP est) 19.80(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)(Cl)F 19.8Pred
[SeH]C1C(I)(Cl)C117051281.379C3H4ClISe2-chloro-2-iodocyclopropane-1-selenolN106[Se]([H])C1C(I)(Cl)C1InChI=1S/C3H4ClISe/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=DOCDYAYVUQVIMY-UHFFFAOYSA-N216.1Ex 216.14(BP est) 37.48(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(I)(Cl)C1 37.5Pred
[SeH]CC(Cl)I17052269.368C2H4ClISe2-chloro-2-iodoethane-1-selenolN95[Se]([H])CC(Cl)IInChI=1S/C2H4ClISe/c3-2(4)1-5/h2,5H,1H2InChIKey=QSPFGPAGWJVHPN-UHFFFAOYSA-N208.2Ex 208.18(BP est) 15.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)I 15.7Pred
[SeH]CC(C)(Cl)I17053283.395C3H6ClISe2-chloro-2-iodopropane-1-selenolN126[Se]([H])CC(C)(Cl)IInChI=1S/C3H6ClISe/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=NMELEICDYXCENZ-UHFFFAOYSA-N209.3Ex 209.34(BP est) 23.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(Cl)I 23.1Pred
[SeH]C1C(I)C1Cl17057281.379C3H4ClISe2-chloro-3-iodocyclopropane-1-selenolN106[Se]([H])C1C(I)C1ClInChI=1S/C3H4ClISe/c4-1-2(5)3(1)6/h1-3,6HInChIKey=CMHHNAYPZJOMAX-UHFFFAOYSA-N230.9Ex 230.85(BP est) 40.18(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(I)C1Cl 40.2Pred
[SeH]CC(Cl)=CI17058281.379C3H4ClISe2-chloro-3-iodoprop-2-ene-1-selenolN106[Se]([H])CC(Cl)=CIInChI=1S/C3H4ClISe/c4-3(1-5)2-6/h1,6H,2H2InChIKey=SXUXOQIHRVSWRT-UHFFFAOYSA-N227.4Ex 227.36(BP est) 24.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)=CI 24.9Pred
[SeH]CC(Cl)CI17059283.395C3H6ClISe2-chloro-3-iodopropane-1-selenolN126[Se]([H])CC(Cl)CIInChI=1S/C3H6ClISe/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=PYUPMGQPGKHAMS-UHFFFAOYSA-N227.3Ex 227.27(BP est) 26.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(Cl)CI 26.9Pred
[SeH]CCCl17069143.472C2H5ClSe2-chloroethane-1-selenolN94[Se]([H])CCClInChI=1S/C2H5ClSe/c3-1-2-4/h4H,1-2H2InChIKey=FQYAIQBVSIOJKE-UHFFFAOYSA-N133.0Ex 133.03(BP est) -27.78(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCl -27.8Pred
[SeH]C1(I)C(F)C117074264.928C3H4FISe2-fluoro-1-iodocyclopropane-1-selenolN106[Se]([H])C1(I)C(F)C1InChI=1S/C3H4FISe/c4-2-1-3(2,5)6/h2,6H,1H2InChIKey=CKPVDOAAWXGLEG-UHFFFAOYSA-N186.6Ex 186.57(BP est) 26.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1(I)C(F)C1 26.7Pred
[SeH]C(I)C(F)=C17076264.928C3H4FISe2-fluoro-1-iodoprop-2-ene-1-selenolN106[Se]([H])C(I)C(F)=CInChI=1S/C3H4FISe/c1-2(4)3(5)6/h3,6H,1H2InChIKey=XBRZHCXVSIHLOX-UHFFFAOYSA-N180.3Ex 180.31(BP est) -9.33(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(F)=C -9.3Pred
[SeH]C(I)C(F)C17077266.944C3H6FISe2-fluoro-1-iodopropane-1-selenolN126[Se]([H])C(I)C(F)CInChI=1S/C3H6FISe/c1-2(4)3(5)6/h2-3,6H,1H3InChIKey=JAULRUFDUFFZLZ-UHFFFAOYSA-N175.0Ex 174.98(BP est) -10.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(F)C -10.5Pred
[SeH]C(CI)(F)C17078266.944C3H6FISe2-fluoro-1-iodopropane-2-selenolN126[Se]([H])C(CI)(F)CInChI=1S/C3H6FISe/c1-3(4,6)2-5/h6H,2H2,1H3InChIKey=JACKBUQPHQIILW-UHFFFAOYSA-N179.3Ex 179.30(BP est) 6.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CI)(F)C 6.9Pred
[SeH]C1C(I)(F)C117080264.928C3H4FISe2-fluoro-2-iodocyclopropane-1-selenolN106[Se]([H])C1C(I)(F)C1InChI=1S/C3H4FISe/c4-3(5)1-2(3)6/h2,6H,1H2InChIKey=VRQMMYCIFJUDAT-UHFFFAOYSA-N186.6Ex 186.57(BP est) 26.65(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(I)(F)C1 26.7Pred
[SeH]CC(C)(F)I17082266.944C3H6FISe2-fluoro-2-iodopropane-1-selenolN126[Se]([H])CC(C)(F)IInChI=1S/C3H6FISe/c1-3(4,5)2-6/h6H,2H2,1H3InChIKey=ITTQNONCNYLNMY-UHFFFAOYSA-N179.3Ex 179.30(BP est) 6.94(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(F)I 6.9Pred
[SeH]C1C(F)C1I17083264.928C3H4FISe2-fluoro-3-iodocyclopropane-1-selenolN106[Se]([H])C1C(F)C1IInChI=1S/C3H4FISe/c4-1-2(5)3(1)6/h1-3,6HInChIKey=JJOQKZBXVUVLSZ-UHFFFAOYSA-N191.4Ex 191.43(BP est) 14.00(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)C1I 14Pred
[SeH]CC(F)=CI17084264.928C3H4FISe2-fluoro-3-iodoprop-2-ene-1-selenolN106[Se]([H])CC(F)=CIInChI=1S/C3H4FISe/c4-3(1-5)2-6/h1,6H,2H2InChIKey=AYNTYSREYQAKLJ-UHFFFAOYSA-N200.4Ex 200.36(BP est) 2.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)=CI 2.4Pred
[SeH]CC(F)CI17085266.944C3H6FISe2-fluoro-3-iodopropane-1-selenolN126[Se]([H])CC(F)CIInChI=1S/C3H6FISe/c4-3(1-5)2-6/h3,6H,1-2H2InChIKey=NGNKALRFFCIHCQ-UHFFFAOYSA-N187.5Ex 187.49(BP est) 0.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)CI 0.6Pred
[SeH]C1C(F)C117094139.031C3H5FSe2-fluorocyclopropane-1-selenolN105[Se]([H])C1C(F)C1InChI=1S/C3H5FSe/c4-2-1-3(2)5/h2-3,5H,1H2InChIKey=ONLGDVONNKDIGS-UHFFFAOYSA-N93.1Ex 93.05(BP est) -41.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C(F)C1 -41.6Pred
[SeH]CC(F)=C17096139.031C3H5FSe2-fluoroprop-2-ene-1-selenolN105[Se]([H])CC(F)=CInChI=1S/C3H5FSe/c1-3(4)2-5/h5H,1-2H2InChIKey=JCZTXNWILAZZHX-UHFFFAOYSA-N87.5Ex 87.49(BP est) -57.96(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)=C -58Pred
[SeH]CC(F)C17097141.047C3H7FSe2-fluoropropane-1-selenolN125[Se]([H])CC(F)CInChI=1S/C3H7FSe/c1-3(4)2-5/h3,5H,2H2,1H3InChIKey=SGMZFTUFGLFQEV-UHFFFAOYSA-N81.2Ex 81.21(BP est) -59.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(F)C -59.4Pred
[SeH]C(C)(F)C17098141.047C3H7FSe2-fluoropropane-2-selenolN125[Se]([H])C(C)(F)CInChI=1S/C3H7FSe/c1-3(2,4)5/h5H,1-2H3InChIKey=RZCUTWJWQDTFEZ-UHFFFAOYSA-N71.3Ex 71.34(BP est) -53.61(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)(F)C -53.6Pred
[SeH]CC(I)CC17105262.98C4H9ISe2-iodobutane-1-selenolN156[Se]([H])CC(I)CCInChI=1S/C4H9ISe/c1-2-4(5)3-6/h4,6H,2-3H2,1H3InChIKey=RDNIIMOVFYZQNA-UHFFFAOYSA-N205.6Ex 205.59(BP est) 11.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)CC 11.3Pred
[SeH]C(CC)(I)C17106262.98C4H9ISe2-iodobutane-2-selenolN156[Se]([H])C(CC)(I)CInChI=1S/C4H9ISe/c1-3-4(2,5)6/h6H,3H2,1-2H3InChIKey=ZCISVIRFOXNSJX-UHFFFAOYSA-N197.7Ex 197.72(BP est) 17.66(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)(I)C 17.7Pred
[SeH]C(C#C)(C)C17116147.079C5H8Se2-methylbut-3-yne-2-selenolN146[Se]([H])C(C#C)(C)CInChI=1S/C5H8Se/c1-4-5(2,3)6/h1,6H,2-3H3InChIKey=WHHIWFSJLJURKP-UHFFFAOYSA-N125.6Ex 125.55(BP est) -3.32(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)(C)C -3.3Pred
[SeH]CC=C(Br)Br17119278.833C3H4Br2Se3,3-dibromoprop-2-ene-1-selenolN106[Se]([H])CC=C(Br)BrInChI=1S/C3H4Br2Se/c4-3(5)1-2-6/h1,6H,2H2InChIKey=OXVMYMGMEKNIGU-UHFFFAOYSA-N232.6Ex 232.56(BP est) 35.53(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(Br)Br 35.5Pred
[SeH]CCC(Br)Br17120280.849C3H6Br2Se3,3-dibromopropane-1-selenolN126[Se]([H])CCC(Br)BrInChI=1S/C3H6Br2Se/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=HVIGGXQEKYYAKB-UHFFFAOYSA-N220.7Ex 220.66(BP est) 32.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Br)Br 32.3Pred
C1[Se]CC=CC117125147.079C5H8Se3,6-dihydro-2H-selenopyranN146C1[Se]CC=CC1InChI=1S/C5H8Se/c1-2-4-6-5-3-1/h1-2H,3-5H2InChIKey=KUJWBBFOWVWKKH-UHFFFAOYSA-N155.4Ex 155.41(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) C1[Se]CC=CC1 -19.5Pred
[SeH]C(I)C=CCl17153281.379C3H4ClISe3-chloro-1-iodoprop-2-ene-1-selenolN106[Se]([H])C(I)C=CClInChI=1S/C3H4ClISe/c4-2-1-3(5)6/h1-3,6HInChIKey=VAJVRXHUBFXVCF-UHFFFAOYSA-N221.2Ex 221.17(BP est) 22.58(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C=CCl 22.6Pred
[SeH]C(I)C#CCl17154279.363C3H2ClISe3-chloro-1-iodoprop-2-yne-1-selenolN86[Se]([H])C(I)C#CClInChI=1S/C3H2ClISe/c4-2-1-3(5)6/h3,6HInChIKey=PRGSMMPOZPBRIW-UHFFFAOYSA-N229.0Ex 228.96(BP est) 50.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C#CCl 50.2Pred
[SeH]C(I)CCCl17155283.395C3H6ClISe3-chloro-1-iodopropane-1-selenolN126[Se]([H])C(I)CCClInChI=1S/C3H6ClISe/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=ACDMJUIOFTWRGV-UHFFFAOYSA-N237.3Ex 237.30(BP est) 29.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CCCl 29.8Pred
[SeH]CC(I)=CCl17158281.379C3H4ClISe3-chloro-2-iodoprop-2-ene-1-selenolN106[Se]([H])CC(I)=CClInChI=1S/C3H4ClISe/c4-1-3(5)2-6/h1,6H,2H2InChIKey=GYTTWEKUZRSQBO-UHFFFAOYSA-N227.4Ex 227.36(BP est) 24.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)=CCl 24.9Pred
[SeH]CC(I)CCl17159283.395C3H6ClISe3-chloro-2-iodopropane-1-selenolN126[Se]([H])CC(I)CClInChI=1S/C3H6ClISe/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=WAFMKFDJOUQFBW-UHFFFAOYSA-N237.3Ex 237.30(BP est) 29.83(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)CCl 29.8Pred
[SeH]CC=C(Cl)I17162281.379C3H4ClISe3-chloro-3-iodoprop-2-ene-1-selenolN106[Se]([H])CC=C(Cl)IInChI=1S/C3H4ClISe/c4-3(5)1-2-6/h1,6H,2H2InChIKey=CHUUGBOTXBJFSA-UHFFFAOYSA-N227.4Ex 227.36(BP est) 24.91(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(Cl)I 24.9Pred
[SeH]CCC(Cl)I17163283.395C3H6ClISe3-chloro-3-iodopropane-1-selenolN126[Se]([H])CCC(Cl)IInChI=1S/C3H6ClISe/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=CPELDJSVZBSHEW-UHFFFAOYSA-N227.3Ex 227.27(BP est) 26.90(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(Cl)I 26.9Pred
[SeH]C(I)C=CF17174264.928C3H4FISe3-fluoro-1-iodoprop-2-ene-1-selenolN106[Se]([H])C(I)C=CFInChI=1S/C3H4FISe/c4-2-1-3(5)6/h1-3,6HInChIKey=DENYOJDZTAUNCR-UHFFFAOYSA-N193.8Ex 193.75(BP est) -0.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C=CF -0.1Pred
[SeH]C(I)CCF17176266.944C3H6FISe3-fluoro-1-iodopropane-1-selenolN126[Se]([H])C(I)CCFInChI=1S/C3H6FISe/c4-2-1-3(5)6/h3,6H,1-2H2InChIKey=SFDNWZISOXQHJO-UHFFFAOYSA-N187.5Ex 187.49(BP est) 0.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)CCF 0.6Pred
[SeH]CC(I)=CF17177264.928C3H4FISe3-fluoro-2-iodoprop-2-ene-1-selenolN106[Se]([H])CC(I)=CFInChI=1S/C3H4FISe/c4-1-3(5)2-6/h1,6H,2H2InChIKey=HXGKRQLRVRUHCI-UHFFFAOYSA-N200.4Ex 200.36(BP est) 2.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)=CF 2.4Pred
[SeH]CC(I)CF17178266.944C3H6FISe3-fluoro-2-iodopropane-1-selenolN126[Se]([H])CC(I)CFInChI=1S/C3H6FISe/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=BKZJLNJHUQRGKL-UHFFFAOYSA-N187.5Ex 187.49(BP est) 0.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(I)CF 0.6Pred
[SeH]CC=C(F)I17179264.928C3H4FISe3-fluoro-3-iodoprop-2-ene-1-selenolN106[Se]([H])CC=C(F)IInChI=1S/C3H4FISe/c4-3(5)1-2-6/h1,6H,2H2InChIKey=SLOZBEIXLLSVAZ-UHFFFAOYSA-N200.4Ex 200.36(BP est) 2.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=C(F)I 2.4Pred
[SeH]CCC(F)I17180266.944C3H6FISe3-fluoro-3-iodopropane-1-selenolN126[Se]([H])CCC(F)IInChI=1S/C3H6FISe/c4-3(5)1-2-6/h3,6H,1-2H2InChIKey=RXFWJNMEMPZUBN-UHFFFAOYSA-N187.5Ex 187.49(BP est) 0.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(F)I 0.6Pred
[SeH]CC=CF17187139.031C3H5FSe3-fluoroprop-2-ene-1-selenolN105[Se]([H])CC=CFInChI=1S/C3H5FSe/c4-2-1-3-5/h1-2,5H,3H2InChIKey=AVTPUNPTSYDUQX-UHFFFAOYSA-N103.4Ex 103.35(BP est) -48.01(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC=CF -48Pred
[SeH]CCCF17189141.047C3H7FSe3-fluoropropane-1-selenolN125[Se]([H])CCCFInChI=1S/C3H7FSe/c4-2-1-3-5/h5H,1-3H2InChIKey=CVILFSHWWARSPI-UHFFFAOYSA-N96.0Ex 95.95(BP est) -47.63(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCF -47.6Pred
[SeH]CCC(I)C17193262.98C4H9ISe3-iodobutane-1-selenolN156[Se]([H])CCC(I)CInChI=1S/C4H9ISe/c1-4(5)2-3-6/h4,6H,2-3H2,1H3InChIKey=OLFMIEFXBSVENS-UHFFFAOYSA-N205.6Ex 205.59(BP est) 11.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCC(I)C 11.3Pred
[SeH]C(C)C(I)C17194262.98C4H9ISe3-iodobutane-2-selenolN156[Se]([H])C(C)C(I)CInChI=1S/C4H9ISe/c1-3(5)4(2)6/h3-4,6H,1-2H3InChIKey=BNZJQZXQIUKTKO-UHFFFAOYSA-N193.6Ex 193.57(BP est) 0.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)C(I)C 0.2Pred
[SeH]CCCCI17226262.98C4H9ISe4-iodobutane-1-selenolN156[Se]([H])CCCCIInChI=1S/C4H9ISe/c5-3-1-2-4-6/h6H,1-4H2InChIKey=CWNDBCMMGOXGGO-UHFFFAOYSA-N217.3Ex 217.27(BP est) 22.16(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCI 22.2Pred
[SeH]C(C)CCI17227262.98C4H9ISe4-iodobutane-2-selenolN156[Se]([H])C(C)CCIInChI=1S/C4H9ISe/c1-4(6)2-3-5/h4,6H,2-3H2,1H3InChIKey=CGPHNBSZSJGVTA-UHFFFAOYSA-N205.6Ex 205.59(BP est) 11.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CCI 11.3Pred
BrC[Se]CBr17233266.822C2H4Br2Sebis(bromomethyl)selaneN95BrC[Se]CBrInChI=1S/C2H4Br2Se/c3-1-5-2-4/h1-2H2InChIKey=NPVMEESTIYDZRM-UHFFFAOYSA-N211.3Ex 211.27(BP est) 24.38(MP est) ----(BP exp) ----(MP exp) BrC[Se]CBr 24.4Pred
FC[Se]CF17235145.011C2H4F2Sebis(fluoromethyl)selaneN95FC[Se]CFInChI=1S/C2H4F2Se/c3-1-5-2-4/h1-2H2InChIKey=HOTZDLIBUUTYLM-UHFFFAOYSA-N71.5Ex 71.45(BP est) -68.31(MP est) ----(BP exp) ----(MP exp) FC[Se]CF -68.3Pred
[SeH]C(I)(Br)F17240317.786CHBrFISebromofluoroiodomethaneselenolN65[Se]([H])C(I)(Br)FInChI=1S/CHBrFISe/c2-1(3,4)5/h5HInChIKey=PVYOCEHLVIZHED-UHFFFAOYSA-N204.5Ex 204.47(BP est) 23.86(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)(Br)F 23.9Pred
[SeH]C(Br)I17242299.795CH2BrISebromoiodomethaneselenolN64[Se]([H])C(Br)IInChI=1S/CH2BrISe/c2-1(3)4/h1,4HInChIKey=ZRFSTXIDSTZNGB-UHFFFAOYSA-N210.3Ex 210.32(BP est) 25.62(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Br)I 25.6Pred
C[Se]CCC#C17248147.079C5H8Sebut-3-yn-1-yl(methyl)selaneN146C[Se]CCC#CInChI=1S/C5H8Se/c1-3-4-5-6-2/h1H,4-5H2,2H3InChIKey=VFGXLHVFZLCIQP-UHFFFAOYSA-N146.1Ex 146.08(BP est) -6.72(MP est) ----(BP exp) ----(MP exp) C[Se]CCC#C -6.7Pred
C[Se]C(C)C#C17249147.079C5H8Sebut-3-yn-2-yl(methyl)selaneN146C[Se]C(C)C#CInChI=1S/C5H8Se/c1-4-5(2)6-3/h1,5H,2-3H3InChIKey=BTCCZIKGXFZZJN-UHFFFAOYSA-N132.5Ex 132.51(BP est) -18.18(MP est) ----(BP exp) ----(MP exp) C[Se]C(C)C#C -18.2Pred
[SeH]C(I)(Cl)F17255273.332CHClFISechlorofluoroiodomethaneselenolN65[Se]([H])C(I)(Cl)FInChI=1S/CHClFISe/c2-1(3,4)5/h5HInChIKey=SXZSVMRSRXVPGE-UHFFFAOYSA-N170.7Ex 170.65(BP est) 8.11(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)(Cl)F 8.1Pred
[SeH]C1C=CC=C117264145.063C5H6Secyclopenta-2,4-diene-1-selenolN126[Se]([H])C1C=CC=C1InChI=1S/C5H6Se/c6-5-3-1-2-4-5/h1-6HInChIKey=NWMXQIMPTWMHRC-UHFFFAOYSA-N154.0Ex 153.97(BP est) -13.51(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1C=CC=C1 -13.5Pred
[SeH]C(Cl)(Br)Br17271287.237CHBr2ClSedibromochloromethaneselenolN65[Se]([H])C(Cl)(Br)BrInChI=1S/CHBr2ClSe/c2-1(3,4)5/h5HInChIKey=NNGHYFCKAFMUPE-UHFFFAOYSA-N205.1Ex 205.05(BP est) 27.35(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(Cl)(Br)Br 27.4Pred
[SeH]C(F)(Br)Br17272270.785CHBr2FSedibromofluoromethaneselenolN65[Se]([H])C(F)(Br)BrInChI=1S/CHBr2FSe/c2-1(3,4)5/h5HInChIKey=NPGIVGCFZPFCHV-UHFFFAOYSA-N174.7Ex 174.71(BP est) 25.10(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(F)(Br)Br 25.1Pred
[SeH]C(I)(Cl)Cl17275289.783CHCl2ISedichloroiodomethaneselenolN65[Se]([H])C(I)(Cl)ClInChI=1S/CHCl2ISe/c2-1(3,4)5/h5HInChIKey=YKRACXYHECGZSK-UHFFFAOYSA-N201.3Ex 201.25(BP est) 22.42(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)(Cl)Cl 22.4Pred
CC[Se]C(I)C17280262.98C4H9ISeethyl(1-iodoethyl)selaneN156CC[Se]C(I)CInChI=1S/C4H9ISe/c1-3-6-4(2)5/h4H,3H2,1-2H3InChIKey=XDQKCLLBANZZIC-UHFFFAOYSA-N203.8Ex 203.76(BP est) 2.53(MP est) ----(BP exp) ----(MP exp) CC[Se]C(I)C 2.5Pred
CC[Se]CCI17282262.98C4H9ISeethyl(2-iodoethyl)selaneN156CC[Se]CCIInChI=1S/C4H9ISe/c1-2-6-4-3-5/h2-4H2,1H3InChIKey=GQAPXSINIOBXMQ-UHFFFAOYSA-N215.5Ex 215.50(BP est) 13.45(MP est) ----(BP exp) ----(MP exp) CC[Se]CCI 13.5Pred
FC(I)[Se]CC17283266.944C3H6FISeethyl(fluoroiodomethyl)selaneN126FC(I)[Se]CCInChI=1S/C3H6FISe/c1-2-6-3(4)5/h3H,2H2,1H3InChIKey=XNQDACSIYXQWKI-UHFFFAOYSA-N185.6Ex 185.59(BP est) -8.12(MP est) ----(BP exp) ----(MP exp) FC(I)[Se]CC -8.1Pred
FC[Se]CC17284141.047C3H7FSeethyl(fluoromethyl)selaneN125FC[Se]CCInChI=1S/C3H7FSe/c1-2-5-3-4/h2-3H2,1H3InChIKey=HEDRINGWXHLUJO-UHFFFAOYSA-N93.7Ex 93.71(BP est) -56.47(MP est) ----(BP exp) ----(MP exp) FC[Se]CC -56.5Pred
[SeH]C(C=C)C#C17295145.063C5H6Sepent-1-en-4-yne-3-selenolN126[Se]([H])C(C=C)C#CInChI=1S/C5H6Se/c1-3-5(6)4-2/h1,4-6H,2H2InChIKey=UFAUAALIVQZSHY-UHFFFAOYSA-N132.9Ex 132.92(BP est) -10.76(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C=C)C#C -10.8Pred
[SeH]C(C#C)C#C17301143.047C5H4Sepenta-1,4-diyne-3-selenolN106[Se]([H])C(C#C)C#CInChI=1S/C5H4Se/c1-3-5(6)4-2/h1-2,5-6HInChIKey=OCLCHDKZPVHAOD-UHFFFAOYSA-N142.5Ex 142.52(BP est) 16.41(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C#C)C#C 16.4Pred
C[Se]CN=C=O17310150.039C3H5NOSe(isocyanatomethyl)(methyl)selaneN116C[Se]CN=C=OInChI=1S/C3H5NOSe/c1-6-3-4-2-5/h3H2,1H3InChIKey=FNVDHZOLPJSXKP-UHFFFAOYSA-N156.7Ex 156.73(BP est) 9.11(MP est) ----(BP exp) ----(MP exp) C[Se]CN=C=O 9.1Pred
C=C[Se]C#C17311131.036C4H4Seethynyl(vinyl)selaneN95C=C[Se]C#CInChI=1S/C4H4Se/c1-3-5-4-2/h1,4H,2H2InChIKey=KRQHGNGULQGUCJ-UHFFFAOYSA-N121.7Ex 121.67(BP est) -20.36(MP est) ----(BP exp) ----(MP exp) C=C[Se]C#C -20.4Pred
ClC1=C[Se]C=C117312165.478C4H3ClSe3-chloroselenopheneN96ClC1=C[Se]C=C1InChI=1S/C4H3ClSe/c5-4-1-2-6-3-4/h1-3HInChIKey=GBLJVZWJVQZQNF-UHFFFAOYSA-N171.2Ex 171.18(BP est) 2.80(MP est) ----(BP exp) ----(MP exp) ClC1=C[Se]C=C1 2.8Pred
ClC1=NC=N[Se]117313167.454C2HClN2Se5-chloro-1,2,4-selenadiazoleN76ClC1=NC=N[Se]1InChI=1S/C2HClN2Se/c3-2-4-1-5-6-2/h1HInChIKey=AKVJEUCGZSKHQA-UHFFFAOYSA-N308.2Ex 308.17(BP est) 90.80(MP est) ----(BP exp) ----(MP exp) ClC1=NC=N[Se]1 90.8Pred
IC1=CC=C[Se]117314256.932C4H3ISe2-iodoselenopheneN96IC1=CC=C[Se]1InChI=1S/C4H3ISe/c5-4-2-1-3-6-4/h1-3HInChIKey=CAAXZHRWPYOFAD-UHFFFAOYSA-N223.3Ex 223.32(BP est) 32.09(MP est) ----(BP exp) ----(MP exp) IC1=CC=C[Se]1 32.1Pred
N#C[Se]CCl17315154.455C2H2ClNSechloro(selenocyanato)methaneN75N#C[Se]CClInChI=1S/C2H2ClNSe/c3-1-5-2-4/h1H2InChIKey=YQJKEYXHHXZMKH-UHFFFAOYSA-N215.3Ex 215.26(BP est) 20.54(MP est) ----(BP exp) ----(MP exp) N#C[Se]CCl 20.5Pred
N=C[Se]C17317122.029C2H5NSemethyl methanimidoselenoateN94N=C[Se]CInChI=1S/C2H5NSe/c1-4-2-3/h2-3H,1H3InChIKey=ZHQFVLJLPLUEDS-UHFFFAOYSA-N144.4Ex 144.43(BP est) -6.22(MP est) ----(BP exp) ----(MP exp) N=C[Se]C -6.2Pred
N=CC[SeH]17318122.029C2H5NSe2-iminoethane-1-selenolN94N=CC[Se]([H])InChI=1S/C2H5NSe/c3-1-2-4/h1,3-4H,2H2InChIKey=RICSBAZRQFUHRD-UHFFFAOYSA-N146.5Ex 146.49(BP est) 2.56(MP est) ----(BP exp) ----(MP exp) N=CC[Se]([H]) 2.6Pred
OC(C=[Se])=O17319136.996C2H2O2Se2-selenoxoacetic acidN75OC(C=[Se])=OInChI=1S/C2H2O2Se/c3-2(4)1-5/h1H,(H,3,4)InChIKey=JCZWIHVAMYIAKI-UHFFFAOYSA-N208.7Ex 208.68(BP est) 33.28(MP est) ----(BP exp) ----(MP exp) OC(C=[Se])=O 33.3Pred
S=C=[Se]17320123.031CSSecarbon selenide sulfideN33S=C=[Se]InChI=1S/CSSe/c2-1-3InChIKey=UGVGOQWEDNFDPF-UHFFFAOYSA-N128.4Ex 128.44(BP est) -2.16(MP est) ----(BP exp) ----(MP exp) S=C=[Se] -2.2Pred
[Se]=C=C=[Se]17321181.942C2Se2ethene-1,2-diselenoneN44[Se]=C=C=[Se]InChI=1S/C2Se2/c3-1-2-4InChIKey=IQGRTEZEFUARAQ-UHFFFAOYSA-N163.5Ex 163.45(BP est) 28.34(MP est) ----(BP exp) ----(MP exp) [Se]=C=C=[Se] 28.3Pred
[Se]=CC=[Se]17322183.958C2H2Se2ethanediselenalN64[Se]=CC=[Se]InChI=1S/C2H2Se2/c3-1-2-4/h1-2HInChIKey=SKZYRRPGOPMFTM-UHFFFAOYSA-N166.6Ex 166.63(BP est) 20.22(MP est) ----(BP exp) ----(MP exp) [Se]=CC=[Se] 20.2Pred
FCC1C[Se]117323139.031C3H5FSe2-(fluoromethyl)seleniraneN105FCC1C[Se]1InChI=1S/C3H5FSe/c4-1-3-2-5-3/h3H,1-2H2InChIKey=OYRCANKRCXORFB-UHFFFAOYSA-N95.6Ex 95.61(BP est) -45.19(MP est) ----(BP exp) ----(MP exp) FCC1C[Se]1 -45.2Pred
FC1(C)C[Se]117324139.031C3H5FSe2-fluoro-2-methylseleniraneN105FC1(C)C[Se]1InChI=1S/C3H5FSe/c1-3(4)2-5-3/h2H2,1H3InChIKey=PCOFPJGGUOJAQJ-UHFFFAOYSA-N82.7Ex 82.72(BP est) -37.00(MP est) ----(BP exp) ----(MP exp) FC1(C)C[Se]1 -37Pred
FC1C(C)[Se]117325139.031C3H5FSe2-fluoro-3-methylseleniraneN105FC1C(C)[Se]1InChI=1S/C3H5FSe/c1-2-3(4)5-2/h2-3H,1H3InChIKey=YWSNBXCRGOIRPB-UHFFFAOYSA-N88.6Ex 88.56(BP est) -49.37(MP est) ----(BP exp) ----(MP exp) FC1C(C)[Se]1 -49.4Pred
FC1[Se]CC117328139.031C3H5FSe2-fluoroselenetaneN105FC1[Se]CC1InChI=1S/C3H5FSe/c4-3-1-2-5-3/h3H,1-2H2InChIKey=HDSBMNNRWMAOHW-UHFFFAOYSA-N97.8Ex 97.82(BP est) -46.30(MP est) ----(BP exp) ----(MP exp) FC1[Se]CC1 -46.3Pred
FC1C[Se]C117330139.031C3H5FSe3-fluoroselenetaneN105FC1C[Se]C1InChI=1S/C3H5FSe/c4-3-1-5-2-3/h3H,1-2H2InChIKey=IJNWEJHABJCTEM-UHFFFAOYSA-N97.8Ex 97.82(BP est) -46.30(MP est) ----(BP exp) ----(MP exp) FC1C[Se]C1 -46.3Pred
[SeH]CC(C)O17331139.056C3H8OSe1-hydroselenopropan-2-olN135[Se]([H])CC(C)OInChI=1S/C3H8OSe/c1-3(4)2-5/h3-5H,2H2,1H3InChIKey=BXMDDIBRBMVHGO-UHFFFAOYSA-N158.4Ex 158.39(BP est) -6.79(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)O -6.8Pred
OCC[Se]C17332139.056C3H8OSe2-(methylselanyl)ethan-1-olN135OCC[Se]CInChI=1S/C3H8OSe/c1-5-3-2-4/h4H,2-3H2,1H3InChIKey=YZLLCAVZWMYERA-UHFFFAOYSA-N176.2Ex 176.18(BP est) -2.28(MP est) ----(BP exp) ----(MP exp) OCC[Se]C -2.3Pred
[SeH]C(C)CO17333139.056C3H8OSe2-hydroselenopropan-1-olN135[Se]([H])C(C)COInChI=1S/C3H8OSe/c1-3(5)2-4/h3-5H,2H2,1H3InChIKey=PRYCKOCZWCVEKQ-UHFFFAOYSA-N165.4Ex 165.36(BP est) -4.75(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CO -4.8Pred
[SeH]CCOC17334139.056C3H8OSe2-methoxyethane-1-selenolN135[Se]([H])CCOCInChI=1S/C3H8OSe/c1-4-2-3-5/h5H,2-3H2,1H3InChIKey=HUXOXRCLGRKYBG-UHFFFAOYSA-N118.3Ex 118.30(BP est) -30.29(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCOC -30.3Pred
[SeH]CCCO17335139.056C3H8OSe3-hydroselenopropan-1-olN135[Se]([H])CCCOInChI=1S/C3H8OSe/c4-2-1-3-5/h4-5H,1-3H2InChIKey=RQFZCJKTZUCWFG-UHFFFAOYSA-N178.1Ex 178.11(BP est) 6.47(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCO 6.5Pred
N=[Se](C)(C)=N17336139.06C2H8N2Sedimethyl-lambda6-selanediimineN135N=[Se](C)(C)=NInChI=1S/C2H8N2Se/c1-5(2,3)4/h3-4H,1-2H3InChIKey=CEOJWXGGNAEPDJ-UHFFFAOYSA-N203.0Ex 202.99(BP est) 27.23(MP est) ----(BP exp) ----(MP exp) N=[Se](C)(C)=N 27.2Pred
[Se]1C[Se]C117337185.974C2H4Se21,3-diselenetaneN84[Se]1C[Se]C1InChI=1S/C2H4Se2/c1-3-2-4-1/h1-2H2InChIKey=ARIWWMKXOQGWNV-UHFFFAOYSA-N164.0Ex 163.96(BP est) 18.46(MP est) ----(BP exp) ----(MP exp) [Se]1C[Se]C1 18.5Pred
[Se]=CC[SeH]17338185.974C2H4Se22-hydroselenoethaneselenalN84[Se]=CC[Se]([H])InChI=1S/C2H4Se2/c3-1-2-4/h1,4H,2H2InChIKey=IXZVFDNTJFXLBL-UHFFFAOYSA-N163.3Ex 163.33(BP est) 20.52(MP est) ----(BP exp) ----(MP exp) [Se]=CC[Se]([H]) 20.5Pred
[O-][N+]([Se]C)=O17339140CH3NO2SeSe-methyl nitroselenoateN85[O-][N+]([Se]C)=OInChI=1S/CH3NO2Se/c1-5-2(3)4/h1H3InChIKey=PBRRWXWREAGUMC-UHFFFAOYSA-N155.9Ex 155.94(BP est) 21.94(MP est) ----(BP exp) ----(MP exp) [O-][N+]([Se]C)=O 21.9Pred
ONCC[SeH]17340140.044C2H7NOSe2-(hydroxyamino)ethane-1-selenolN125ONCC[Se]([H])InChI=1S/C2H7NOSe/c4-3-1-2-5/h3-5H,1-2H2InChIKey=AAFAPHXGZIPQMY-UHFFFAOYSA-N210.5Ex 210.46(BP est) 27.48(MP est) ----(BP exp) ----(MP exp) ONCC[Se]([H]) 27.5Pred
O=C[Se](O)=O17341140.984CH2O3Seoxomethaneseleninic acidN75O=C[Se](O)=OInChI=1S/CH2O3Se/c2-1-5(3)4/h1H,(H,3,4)InChIKey=SFVNUIOZONDFDF-UHFFFAOYSA-N193.4Ex 193.41(BP est) 13.52(MP est) ----(BP exp) ----(MP exp) O=C[Se](O)=O 13.5Pred
[SeH]C[Se]C17350187.99C2H6Se2(methylselanyl)methaneselenolN104[Se]([H])C[Se]CInChI=1S/C2H6Se2/c1-4-2-3/h3H,2H2,1H3InChIKey=QBQSXLBTYKANSY-UHFFFAOYSA-N158.0Ex 158.00(BP est) 12.05(MP est) ----(BP exp) ----(MP exp) [Se]([H])C[Se]C 12.1Pred
[SeH]CC[SeH]17352187.99C2H6Se2ethane-1,2-diselenolN104[Se]([H])CC[Se]([H])InChI=1S/C2H6Se2/c3-1-2-4/h3-4H,1-2H2InChIKey=BLTXYOYVRGJPKH-UHFFFAOYSA-N160.0Ex 160.01(BP est) 20.82(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC[Se]([H]) 20.8Pred
ClC1C[Se]117353141.456C2H3ClSe2-chloroseleniraneN74ClC1C[Se]1InChI=1S/C2H3ClSe/c3-2-1-4-2/h2H,1H2InChIKey=DIPATCCIMMHUGC-UHFFFAOYSA-N120.2Ex 120.15(BP est) -28.99(MP est) ----(BP exp) ----(MP exp) ClC1C[Se]1 -29Pred
O=[Se](O)CN17355142.016CH5NO2Seaminomethaneseleninic acidN105O=[Se](O)CNInChI=1S/CH5NO2Se/c2-1-5(3)4/h1-2H2,(H,3,4)InChIKey=NYLBJICQSCXOBC-UHFFFAOYSA-N195.8Ex 195.75(BP est) 23.44(MP est) ----(BP exp) ----(MP exp) O=[Se](O)CN 23.4Pred
FC1(F)C[Se]117356142.995C2H2F2Se2,2-difluoroseleniraneN75FC1(F)C[Se]1InChI=1S/C2H2F2Se/c3-2(4)1-5-2/h1H2InChIKey=TWTMEAAGWSZERP-UHFFFAOYSA-N60.1Ex 60.10(BP est) -48.95(MP est) ----(BP exp) ----(MP exp) FC1(F)C[Se]1 -49Pred
FC1C(F)[Se]117357142.995C2H2F2Se2,3-difluoroseleniraneN75FC1C(F)[Se]1InChI=1S/C2H2F2Se/c3-1-2(4)5-1/h1-2HInChIKey=SEQYRQZDYMPCQA-UHFFFAOYSA-N66.1Ex 66.13(BP est) -61.25(MP est) ----(BP exp) ----(MP exp) FC1C(F)[Se]1 -61.3Pred
[Se]=CC=C1C=C117359143.047C5H4Se2-(cycloprop-2-en-1-ylidene)ethaneselenalN106[Se]=CC=C1C=C1InChI=1S/C5H4Se/c6-4-3-5-1-2-5/h1-4HInChIKey=KGSQKYXYAMOAIW-UHFFFAOYSA-N159.7Ex 159.69(BP est) -2.67(MP est) ----(BP exp) ----(MP exp) [Se]=CC=C1C=C1 -2.7Pred
[Se]=C1C=CC=C117360143.047C5H4Secyclopenta-2,4-diene-1-selenoneN106[Se]=C1C=CC=C1InChI=1S/C5H4Se/c6-5-3-1-2-4-5/h1-4HInChIKey=MBAIBPKLSVDRAZ-UHFFFAOYSA-N159.8Ex 159.84(BP est) -3.23(MP est) ----(BP exp) ----(MP exp) [Se]=C1C=CC=C1 -3.2Pred
N#C[Se]C#CC17365144.035C4H3NSe1-selenocyanatoprop-1-yneN96N#C[Se]C#CCInChI=1S/C4H3NSe/c1-2-3-6-4-5/h1H3InChIKey=IYPHMJPZPHRXMW-UHFFFAOYSA-N216.1Ex 216.14(BP est) 41.35(MP est) ----(BP exp) ----(MP exp) N#C[Se]C#CC 41.4Pred
N#C[Se]C=C=C17366144.035C4H3NSe1-selenocyanatopropa-1,2-dieneN96N#C[Se]C=C=CInChI=1S/C4H3NSe/c1-2-3-6-4-5/h3H,1H2InChIKey=AMWOVPAGXFLOOP-UHFFFAOYSA-N202.1Ex 202.12(BP est) 15.39(MP est) ----(BP exp) ----(MP exp) N#C[Se]C=C=C 15.4Pred
CC(C#N)=C=[Se]17367144.035C4H3NSe2-methyl-3-selenoxoacrylonitrileN96CC(C#N)=C=[Se]InChI=1S/C4H3NSe/c1-4(2-5)3-6/h1H3InChIKey=LWFGMOADFXATKK-UHFFFAOYSA-N203.1Ex 203.08(BP est) 16.48(MP est) ----(BP exp) ----(MP exp) CC(C#N)=C=[Se] 16.5Pred
N#C[Se]CC#C17368144.035C4H3NSe3-selenocyanatoprop-1-yneN96N#C[Se]CC#CInChI=1S/C4H3NSe/c1-2-3-6-4-5/h1H,3H2InChIKey=DXIQLYLJBIDYMA-UHFFFAOYSA-N208.9Ex 208.93(BP est) 28.43(MP est) ----(BP exp) ----(MP exp) N#C[Se]CC#C 28.4Pred
[Se]=C1N=CC=N117374145.023C3H2N2Se2H-imidazole-2-selenoneN86[Se]=C1N=CC=N1InChI=1S/C3H2N2Se/c6-3-4-1-2-5-3/h1-2HInChIKey=DDPZHXJDXXAPBA-UHFFFAOYSA-N186.8Ex 186.83(BP est) 30.18(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=CC=N1 30.2Pred
N#CC[Se]C#N17375145.023C3H2N2Se2-selenocyanatoacetonitrileN86N#CC[Se]C#NInChI=1S/C3H2N2Se/c4-1-2-6-3-5/h2H2InChIKey=CXEVLIIWJOLQCV-UHFFFAOYSA-N257.6Ex 257.63(BP est) 56.08(MP est) ----(BP exp) ----(MP exp) N#CC[Se]C#N 56.1Pred
C1C2(C=CC2)[Se]117376145.063C5H6Se1-selenaspiro[2.3]hex-4-eneN126C1C2(C=CC2)[Se]1InChI=1S/C5H6Se/c1-2-5(3-1)4-6-5/h1-2H,3-4H2InChIKey=LJJSKCVLYHYKQI-UHFFFAOYSA-N141.4Ex 141.41(BP est) 2.58(MP est) ----(BP exp) ----(MP exp) C1C2(C=CC2)[Se]1 2.6Pred
C#CCC1C[Se]117377145.063C5H6Se2-(prop-2-yn-1-yl)seleniraneN126C#CCC1C[Se]1InChI=1S/C5H6Se/c1-2-3-5-4-6-5/h1,5H,3-4H2InChIKey=SBNOJSCRUMHWNP-UHFFFAOYSA-N147.8Ex 147.82(BP est) 4.51(MP est) ----(BP exp) ----(MP exp) C#CCC1C[Se]1 4.5Pred
CC1(C#C)C[Se]117378145.063C5H6Se2-ethynyl-2-methylseleniraneN126CC1(C#C)C[Se]1InChI=1S/C5H6Se/c1-3-5(2)4-6-5/h1H,4H2,2H3InChIKey=XXDYQGQHOQCJLJ-UHFFFAOYSA-N136.0Ex 136.00(BP est) 13.01(MP est) ----(BP exp) ----(MP exp) CC1(C#C)C[Se]1 13Pred
CC1C(C#C)[Se]117379145.063C5H6Se2-ethynyl-3-methylseleniraneN126CC1C(C#C)[Se]1InChI=1S/C5H6Se/c1-3-5-4(2)6-5/h1,4-5H,2H3InChIKey=FHQDJBAJZVYNFC-UHFFFAOYSA-N141.4Ex 141.36(BP est) 0.51(MP est) ----(BP exp) ----(MP exp) CC1C(C#C)[Se]1 0.5Pred
C#CC1[Se]CC117380145.063C5H6Se2-ethynylselenetaneN126C#CC1[Se]CC1InChI=1S/C5H6Se/c1-2-5-3-4-6-5/h1,5H,3-4H2InChIKey=TZVZGMUILPXWRA-UHFFFAOYSA-N149.8Ex 149.84(BP est) 3.35(MP est) ----(BP exp) ----(MP exp) C#CC1[Se]CC1 3.4Pred
C1C=CC=C[Se]117381145.063C5H6Se2H-selenopyranN126C1C=CC=C[Se]1InChI=1S/C5H6Se/c1-2-4-6-5-3-1/h1-4H,5H2InChIKey=UEOIJDKPKBKAGX-UHFFFAOYSA-N158.3Ex 158.27(BP est) -18.32(MP est) ----(BP exp) ----(MP exp) C1C=CC=C[Se]1 -18.3Pred
C#CC1C[Se]C117383145.063C5H6Se3-ethynylselenetaneN126C#CC1C[Se]C1InChI=1S/C5H6Se/c1-2-5-3-6-4-5/h1,5H,3-4H2InChIKey=NIWMSBRPCLSNOM-UHFFFAOYSA-N149.8Ex 149.84(BP est) 3.35(MP est) ----(BP exp) ----(MP exp) C#CC1C[Se]C1 3.4Pred
C12C(C=CC2)[Se]117386145.063C5H6Se6-selenabicyclo[3.1.0]hex-2-eneN126C12C(C=CC2)[Se]1InChI=1S/C5H6Se/c1-2-4-5(3-1)6-4/h1-2,4-5H,3H2InChIKey=HDZPHSGWBCSISW-UHFFFAOYSA-N146.7Ex 146.72(BP est) -9.94(MP est) ----(BP exp) ----(MP exp) C12C(C=CC2)[Se]1 -9.9Pred
C[Se]C=CC#C17387145.063C5H6Sebut-1-en-3-yn-1-yl(methyl)selaneN126C[Se]C=CC#CInChI=1S/C5H6Se/c1-3-4-5-6-2/h1,4-5H,2H3InChIKey=JDDHMQPXUVJZNB-UHFFFAOYSA-N152.9Ex 152.88(BP est) -7.28(MP est) ----(BP exp) ----(MP exp) C[Se]C=CC#C -7.3Pred
C[Se]C(C#C)=C17388145.063C5H6Sebut-1-en-3-yn-2-yl(methyl)selaneN126C[Se]C(C#C)=CInChI=1S/C5H6Se/c1-4-5(2)6-3/h1H,2H2,3H3InChIKey=PJGSNKCCKUOOGH-UHFFFAOYSA-N138.3Ex 138.30(BP est) -16.86(MP est) ----(BP exp) ----(MP exp) C[Se]C(C#C)=C -16.9Pred
C=C[Se]C#CC17392145.063C5H6Seprop-1-yn-1-yl(vinyl)selaneN126C=C[Se]C#CCInChI=1S/C5H6Se/c1-3-5-6-4-2/h4H,2H2,1H3InChIKey=PWZBUCJSMYERLI-UHFFFAOYSA-N152.7Ex 152.67(BP est) 23.89(MP est) ----(BP exp) ----(MP exp) C=C[Se]C#CC 23.9Pred
C#CC[Se]C=C17393145.063C5H6Seprop-2-yn-1-yl(vinyl)selaneN126C#CC[Se]C=CInChI=1S/C5H6Se/c1-3-5-6-4-2/h1,4H,2,5H2InChIKey=DGUHXCHTMWVTNR-UHFFFAOYSA-N144.4Ex 144.41(BP est) -8.09(MP est) ----(BP exp) ----(MP exp) C#CC[Se]C=C -8.1Pred
[Se]=C1N=CN=N117394146.011C2HN3Se3H-1,2,4-triazole-3-selenoneN76[Se]=C1N=CN=N1InChI=1S/C2HN3Se/c6-2-3-1-4-5-2/h1HInChIKey=ZQIYARSRDASRBG-UHFFFAOYSA-N199.8Ex 199.78(BP est) 50.91(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=CN=N1 50.9Pred
[Se]=C1C=NN=N117395146.011C2HN3Se4H-1,2,3-triazole-4-selenoneN76[Se]=C1C=NN=N1InChI=1S/C2HN3Se/c6-2-1-3-5-4-2/h1HInChIKey=WGJDNDRGYYCJDK-UHFFFAOYSA-N199.8Ex 199.78(BP est) 50.91(MP est) ----(BP exp) ----(MP exp) [Se]=C1C=NN=N1 50.9Pred
N#CCC1C[Se]117396146.051C4H5NSe2-(seleniran-2-yl)acetonitrileN116N#CCC1C[Se]1InChI=1S/C4H5NSe/c5-2-1-4-3-6-4/h4H,1,3H2InChIKey=FZXJJUSTSCVKTE-UHFFFAOYSA-N203.6Ex 203.58(BP est) 24.17(MP est) ----(BP exp) ----(MP exp) N#CCC1C[Se]1 24.2Pred
CC1=NC=C[Se]117397146.051C4H5NSe2-methyl-1,3-selenazoleN116CC1=NC=C[Se]1InChI=1S/C4H5NSe/c1-4-5-2-3-6-4/h2-3H,1H3InChIKey=DWFSOCTYLFLWPI-UHFFFAOYSA-N203.7Ex 203.74(BP est) 23.84(MP est) ----(BP exp) ----(MP exp) CC1=NC=C[Se]1 23.8Pred
CC1=N[Se]C=C117398146.051C4H5NSe3-methyl-1,2-selenazoleN116CC1=N[Se]C=C1InChI=1S/C4H5NSe/c1-4-2-3-6-5-4/h2-3H,1H3InChIKey=KDQUDNADXWAVAO-UHFFFAOYSA-N203.7Ex 203.74(BP est) 23.84(MP est) ----(BP exp) ----(MP exp) CC1=N[Se]C=C1 23.8Pred
C=CC[Se]C#N17399146.051C4H5NSe3-selenocyanatoprop-1-eneN116C=CC[Se]C#NInChI=1S/C4H5NSe/c1-2-3-6-4-5/h2H,1,3H2InChIKey=DSBZIVWXXWRSKF-UHFFFAOYSA-N200.5Ex 200.54(BP est) 11.67(MP est) ----(BP exp) ----(MP exp) C=CC[Se]C#N 11.7Pred
CC1=C[Se]N=C117400146.051C4H5NSe4-methyl-1,2-selenazoleN116CC1=C[Se]N=C1InChI=1S/C4H5NSe/c1-4-2-5-6-3-4/h2-3H,1H3InChIKey=RKEAYDFJVDZDIW-UHFFFAOYSA-N203.7Ex 203.74(BP est) 23.84(MP est) ----(BP exp) ----(MP exp) CC1=C[Se]N=C1 23.8Pred
CC1=C[Se]C=N117401146.051C4H5NSe4-methyl-1,3-selenazoleN116CC1=C[Se]C=N1InChI=1S/C4H5NSe/c1-4-2-6-3-5-4/h2-3H,1H3InChIKey=BJATXNRFAXUVCU-UHFFFAOYSA-N203.7Ex 203.74(BP est) 23.84(MP est) ----(BP exp) ----(MP exp) CC1=C[Se]C=N1 23.8Pred
CC1=CC=N[Se]117402146.051C4H5NSe5-methyl-1,2-selenazoleN116CC1=CC=N[Se]1InChI=1S/C4H5NSe/c1-4-2-3-5-6-4/h2-3H,1H3InChIKey=DGUFHKRLXFZYNW-UHFFFAOYSA-N203.7Ex 203.74(BP est) 23.84(MP est) ----(BP exp) ----(MP exp) CC1=CC=N[Se]1 23.8Pred
CC1=CN=C[Se]117403146.051C4H5NSe5-methyl-1,3-selenazoleN116CC1=CN=C[Se]1InChI=1S/C4H5NSe/c1-4-2-5-3-6-4/h2-3H,1H3InChIKey=XXJMZNGHZOBJTB-UHFFFAOYSA-N203.7Ex 203.74(BP est) 23.84(MP est) ----(BP exp) ----(MP exp) CC1=CN=C[Se]1 23.8Pred
N#CC1C[Se]C117404146.051C4H5NSeselenetane-3-carbonitrileN116N#CC1C[Se]C1InChI=1S/C4H5NSe/c5-1-4-2-6-3-4/h4H,2-3H2InChIKey=IAMUWJLRHYAKKR-UHFFFAOYSA-N205.4Ex 205.38(BP est) 22.94(MP est) ----(BP exp) ----(MP exp) N#CC1C[Se]C1 22.9Pred
NC1=CC=C[Se]117405146.051C4H5NSeselenophen-2-amineN116NC1=CC=C[Se]1InChI=1S/C4H5NSe/c5-4-2-1-3-6-4/h1-3H,5H2InChIKey=KEBMAIHLEKBHEN-UHFFFAOYSA-N212.9Ex 212.85(BP est) 31.30(MP est) ----(BP exp) ----(MP exp) NC1=CC=C[Se]1 31.3Pred
NC1=C[Se]C=C117406146.051C4H5NSeselenophen-3-amineN116NC1=C[Se]C=C1InChI=1S/C4H5NSe/c5-4-1-2-6-3-4/h1-3H,5H2InChIKey=XAKUXFBLCCKXME-UHFFFAOYSA-N212.9Ex 212.85(BP est) 31.30(MP est) ----(BP exp) ----(MP exp) NC1=C[Se]C=C1 31.3Pred
C1=C[Se]C=CO117407147.035C4H4OSe1,4-oxaselenineN106C1=C[Se]C=CO1InChI=1S/C4H4OSe/c1-3-6-4-2-5-1/h1-4HInChIKey=BDJGJOOJLGSQAR-UHFFFAOYSA-N164.1Ex 164.10(BP est) -8.97(MP est) ----(BP exp) ----(MP exp) C1=C[Se]C=CO1 -9Pred
[SeH]C1=CC=CO117408147.035C4H4OSefuran-2-selenolN106[Se]([H])C1=CC=CO1InChI=1S/C4H4OSe/c6-4-2-1-3-5-4/h1-3,6HInChIKey=YSKBQYPOGVXMLI-UHFFFAOYSA-N151.8Ex 151.76(BP est) 1.88(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CC=CO1 1.9Pred
[SeH]C1=COC=C117409147.035C4H4OSefuran-3-selenolN106[Se]([H])C1=COC=C1InChI=1S/C4H4OSe/c6-4-1-2-5-3-4/h1-3,6HInChIKey=DPPFROVORUCJGF-UHFFFAOYSA-N151.8Ex 151.76(BP est) 1.88(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=COC=C1 1.9Pred
O=C1CC=C[Se]117410147.035C4H4OSeselenophen-2(3H)-oneN106O=C1CC=C[Se]1InChI=1S/C4H4OSe/c5-4-2-1-3-6-4/h1,3H,2H2InChIKey=BLAXOXFUYYNZNA-UHFFFAOYSA-N191.8Ex 191.83(BP est) 21.33(MP est) ----(BP exp) ----(MP exp) O=C1CC=C[Se]1 21.3Pred
O=C1[Se]CC=C117411147.035C4H4OSeselenophen-2(5H)-oneN106O=C1[Se]CC=C1InChI=1S/C4H4OSe/c5-4-2-1-3-6-4/h1-2H,3H2InChIKey=WSIOPTAPDBEVLL-UHFFFAOYSA-N191.8Ex 191.83(BP est) 21.33(MP est) ----(BP exp) ----(MP exp) O=C1[Se]CC=C1 21.3Pred
OC1=CC=C[Se]117412147.035C4H4OSeselenophen-2-olN106OC1=CC=C[Se]1InChI=1S/C4H4OSe/c5-4-2-1-3-6-4/h1-3,5HInChIKey=JXRAUETXKSBVQT-UHFFFAOYSA-N199.8Ex 199.77(BP est) 24.38(MP est) ----(BP exp) ----(MP exp) OC1=CC=C[Se]1 24.4Pred
O=C1C[Se]C=C117413147.035C4H4OSeselenophen-3(2H)-oneN106O=C1C[Se]C=C1InChI=1S/C4H4OSe/c5-4-1-2-6-3-4/h1-2H,3H2InChIKey=MDUAKGGGVUCBPX-UHFFFAOYSA-N191.8Ex 191.83(BP est) 21.33(MP est) ----(BP exp) ----(MP exp) O=C1C[Se]C=C1 21.3Pred
OC1=C[Se]C=C117414147.035C4H4OSeselenophen-3-olN106OC1=C[Se]C=C1InChI=1S/C4H4OSe/c5-4-1-2-6-3-4/h1-3,5HInChIKey=HVIOLIMUNMSKFM-UHFFFAOYSA-N199.8Ex 199.77(BP est) 24.38(MP est) ----(BP exp) ----(MP exp) OC1=C[Se]C=C1 24.4Pred
O=[Se]1C=CC=C117415147.035C4H4OSeselenophene 1-oxideN106O=[Se]1C=CC=C1InChI=1S/C4H4OSe/c5-6-3-1-2-4-6/h1-4HInChIKey=UUHWEJQIPVQLKP-UHFFFAOYSA-N126.0Ex 125.99(BP est) -30.58(MP est) ----(BP exp) ----(MP exp) O=[Se]1C=CC=C1 -30.6Pred
[SeH]C1=NC=CN117416147.039C3H4N2Se1H-imidazole-2-selenolN106[Se]([H])C1=NC=CN1InChI=1S/C3H4N2Se/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)InChIKey=BHKJYCQXGMSEIW-UHFFFAOYSA-N303.3Ex 303.29(BP est) 87.09(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NC=CN1 87.1Pred
CC1=N[Se]N=C117417147.039C3H4N2Se3-methyl-1,2,5-selenadiazoleN106CC1=N[Se]N=C1InChI=1S/C3H4N2Se/c1-3-2-4-6-5-3/h2H,1H3InChIKey=XZWXJWDIOGQTQL-UHFFFAOYSA-N299.3Ex 299.34(BP est) 81.14(MP est) ----(BP exp) ----(MP exp) CC1=N[Se]N=C1 81.1Pred
NC1=N[Se]C=C117418147.039C3H4N2Se1,2-selenazol-3-amineN106NC1=N[Se]C=C1InChI=1S/C3H4N2Se/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)InChIKey=KIMFLNMIYVCWPB-UHFFFAOYSA-N253.2Ex 253.21(BP est) 58.87(MP est) ----(BP exp) ----(MP exp) NC1=N[Se]C=C1 58.9Pred
NC1=C[Se]N=C117419147.039C3H4N2Se1,2-selenazol-4-amineN106NC1=C[Se]N=C1InChI=1S/C3H4N2Se/c4-3-1-5-6-2-3/h1-2H,4H2InChIKey=LQGAKWSJVINQCM-UHFFFAOYSA-N253.2Ex 253.21(BP est) 58.87(MP est) ----(BP exp) ----(MP exp) NC1=C[Se]N=C1 58.9Pred
[Se]=C(C#N)NC17420147.039C3H4N2Semethylcarbamoselenoyl cyanideN106[Se]=C(C#N)NCInChI=1S/C3H4N2Se/c1-5-3(6)2-4/h1H3,(H,5,6)InChIKey=MUOSZARCCULFDG-UHFFFAOYSA-N218.4Ex 218.41(BP est) 30.22(MP est) ----(BP exp) ----(MP exp) [Se]=C(C#N)NC 30.2Pred
NC1=NC=C[Se]117421147.039C3H4N2Se1,3-selenazol-2-amineN106NC1=NC=C[Se]1InChI=1S/C3H4N2Se/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)InChIKey=PQPHREOTGOZLPP-UHFFFAOYSA-N253.2Ex 253.21(BP est) 58.87(MP est) ----(BP exp) ----(MP exp) NC1=NC=C[Se]1 58.9Pred
NC1=C[Se]C=N117422147.039C3H4N2Se1,3-selenazol-4-amineN106NC1=C[Se]C=N1InChI=1S/C3H4N2Se/c4-3-1-6-2-5-3/h1-2H,4H2InChIKey=RAQIWJACQZEGTG-UHFFFAOYSA-N253.2Ex 253.21(BP est) 58.87(MP est) ----(BP exp) ----(MP exp) NC1=C[Se]C=N1 58.9Pred
NC1=CN=C[Se]117423147.039C3H4N2Se1,3-selenazol-5-amineN106NC1=CN=C[Se]1InChI=1S/C3H4N2Se/c4-3-1-5-2-6-3/h1-2H,4H2InChIKey=HSSGAYVOZMFPAP-UHFFFAOYSA-N253.2Ex 253.21(BP est) 58.87(MP est) ----(BP exp) ----(MP exp) NC1=CN=C[Se]1 58.9Pred
[Se]=C=C=C=[Se]17424193.953C3Se2propa-1,2-diene-1,3-diselenoneN55[Se]=C=C=C=[Se]InChI=1S/C3Se2/c4-2-1-3-5InChIKey=WKMNCNYGMCFBIN-UHFFFAOYSA-N186.1Ex 186.14(BP est) 19.44(MP est) ----(BP exp) ----(MP exp) [Se]=C=C=C=[Se] 19.4Pred
C[Se]C=C1CC117425147.079C5H8Se(cyclopropylidenemethyl)(methyl)selaneN146C[Se]C=C1CC1InChI=1S/C5H8Se/c1-6-4-5-2-3-5/h4H,2-3H2,1H3InChIKey=NEYAUUBJMNFMEZ-UHFFFAOYSA-N151.5Ex 151.45(BP est) -12.37(MP est) ----(BP exp) ----(MP exp) C[Se]C=C1CC1 -12.4Pred
CC(C1CC1)=[Se]17426147.079C5H8Se1-cyclopropylethane-1-selenoneN146CC(C1CC1)=[Se]InChI=1S/C5H8Se/c1-4(6)5-2-3-5/h5H,2-3H2,1H3InChIKey=HIJIBWXXWBHITR-UHFFFAOYSA-N141.5Ex 141.45(BP est) -22.65(MP est) ----(BP exp) ----(MP exp) CC(C1CC1)=[Se] -22.7Pred
CC1([Se]2)C2CC117427147.079C5H8Se1-methyl-5-selenabicyclo[2.1.0]pentaneN146CC1([Se]2)C2CC1InChI=1S/C5H8Se/c1-5-3-2-4(5)6-5/h4H,2-3H2,1H3InChIKey=YVBJRQSZVCDCMC-UHFFFAOYSA-N129.8Ex 129.80(BP est) -1.55(MP est) ----(BP exp) ----(MP exp) CC1([Se]2)C2CC1 -1.6Pred
C1C2(CCC2)[Se]117429147.079C5H8Se1-selenaspiro[2.3]hexaneN146C1C2(CCC2)[Se]1InChI=1S/C5H8Se/c1-2-5(3-1)4-6-5/h1-4H2InChIKey=GOSJAGFIFRMLIA-UHFFFAOYSA-N138.5Ex 138.46(BP est) 1.34(MP est) ----(BP exp) ----(MP exp) C1C2(CCC2)[Se]1 1.3Pred
CC=CC1C[Se]117431147.079C5H8Se2-(prop-1-en-1-yl)seleniraneN146CC=CC1C[Se]1InChI=1S/C5H8Se/c1-2-3-5-4-6-5/h2-3,5H,4H2,1H3InChIKey=SVDSRIGLDWMUAK-UHFFFAOYSA-N146.9Ex 146.87(BP est) -21.79(MP est) ----(BP exp) ----(MP exp) CC=CC1C[Se]1 -21.8Pred
C=CCC1C[Se]117432147.079C5H8Se2-allylseleniraneN146C=CCC1C[Se]1InChI=1S/C5H8Se/c1-2-3-5-4-6-5/h2,5H,1,3-4H2InChIKey=UTISGCCSFYUNFE-UHFFFAOYSA-N138.3Ex 138.30(BP est) -22.63(MP est) ----(BP exp) ----(MP exp) C=CCC1C[Se]1 -22.6Pred
CC1C2(CC2)[Se]117433147.079C5H8Se2-methyl-1-selenaspiro[2.2]pentaneN146CC1C2(CC2)[Se]1InChI=1S/C5H8Se/c1-4-5(6-4)2-3-5/h4H,2-3H2,1H3InChIKey=BQISWHDMJSQOCT-UHFFFAOYSA-N129.8Ex 129.80(BP est) -1.55(MP est) ----(BP exp) ----(MP exp) CC1C2(CC2)[Se]1 -1.6Pred
CC1(C=C)C[Se]117434147.079C5H8Se2-methyl-2-vinylseleniraneN146CC1(C=C)C[Se]1InChI=1S/C5H8Se/c1-3-5(2)4-6-5/h3H,1,4H2,2H3InChIKey=UJNHZTLZTCBMLI-UHFFFAOYSA-N126.3Ex 126.29(BP est) -14.19(MP est) ----(BP exp) ----(MP exp) CC1(C=C)C[Se]1 -14.2Pred
CC1C(C=C)[Se]117435147.079C5H8Se2-methyl-3-vinylseleniraneN146CC1C(C=C)[Se]1InChI=1S/C5H8Se/c1-3-5-4(2)6-5/h3-5H,1H2,2H3InChIKey=FAVKDCRREAQGLQ-UHFFFAOYSA-N131.7Ex 131.73(BP est) -26.67(MP est) ----(BP exp) ----(MP exp) CC1C(C=C)[Se]1 -26.7Pred
[SeH]CC(C#C)C17436147.079C5H8Se2-methylbut-3-yne-1-selenolN146[Se]([H])CC(C#C)CInChI=1S/C5H8Se/c1-3-5(2)4-6/h1,5-6H,4H2,2H3InChIKey=NRYAXYVCFVEMEL-UHFFFAOYSA-N134.6Ex 134.62(BP est) -9.38(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C#C)C -9.4Pred
C=C1[Se]CCC117438147.079C5H8Se2-methylenetetrahydroselenopheneN146C=C1[Se]CCC1InChI=1S/C5H8Se/c1-5-3-2-4-6-5/h1-4H2InChIKey=OLLROGQLDAUMOG-UHFFFAOYSA-N145.0Ex 145.00(BP est) -14.35(MP est) ----(BP exp) ----(MP exp) C=C1[Se]CCC1 -14.4Pred
C12[Se]CC1CC217439147.079C5H8Se2-selenabicyclo[2.2.0]hexaneN146C12[Se]CC1CC2InChI=1S/C5H8Se/c1-2-5-4(1)3-6-5/h4-5H,1-3H2InChIKey=BEEMFNLLVVWGMC-UHFFFAOYSA-N143.8Ex 143.80(BP est) -11.17(MP est) ----(BP exp) ----(MP exp) C12[Se]CC1CC2 -11.2Pred
C=CC1[Se]CC117440147.079C5H8Se2-vinylselenetaneN146C=CC1[Se]CC1InChI=1S/C5H8Se/c1-2-5-3-4-6-5/h2,5H,1,3-4H2InChIKey=GIOMQMWYIQHBGJ-UHFFFAOYSA-N140.4Ex 140.37(BP est) -23.79(MP est) ----(BP exp) ----(MP exp) C=CC1[Se]CC1 -23.8Pred
C1[Se]C=CCC117441147.079C5H8Se3,4-dihydro-2H-selenopyranN146C1[Se]C=CCC1InChI=1S/C5H8Se/c1-2-4-6-5-3-1/h2,4H,1,3,5H2InChIKey=ABUZQOPHYDJJGN-UHFFFAOYSA-N155.4Ex 155.41(BP est) -19.53(MP est) ----(BP exp) ----(MP exp) C1[Se]C=CCC1 -19.5Pred
CC1=CC[Se]C117443147.079C5H8Se3-methyl-2,5-dihydroselenopheneN146CC1=CC[Se]C1InChI=1S/C5H8Se/c1-5-2-3-6-4-5/h2H,3-4H2,1H3InChIKey=MFOSOZUOAKRDMR-UHFFFAOYSA-N151.5Ex 151.52(BP est) -12.65(MP est) ----(BP exp) ----(MP exp) CC1=CC[Se]C1 -12.7Pred
C=CC1C[Se]C117444147.079C5H8Se3-vinylselenetaneN146C=CC1C[Se]C1InChI=1S/C5H8Se/c1-2-5-3-6-4-5/h2,5H,1,3-4H2InChIKey=QNARBCXPZOKUEF-UHFFFAOYSA-N140.4Ex 140.37(BP est) -23.79(MP est) ----(BP exp) ----(MP exp) C=CC1C[Se]C1 -23.8Pred
CC1=C[Se]CC117445147.079C5H8Se4-methyl-2,3-dihydroselenopheneN146CC1=C[Se]CC1InChI=1S/C5H8Se/c1-5-2-3-6-4-5/h4H,2-3H2,1H3InChIKey=RMYFNNOYVCNYQI-UHFFFAOYSA-N151.5Ex 151.52(BP est) -12.65(MP est) ----(BP exp) ----(MP exp) CC1=C[Se]CC1 -12.7Pred
C1CC2(CC2)[Se]117446147.079C5H8Se4-selenaspiro[2.3]hexaneN146C1CC2(CC2)[Se]1InChI=1S/C5H8Se/c1-2-5(1)3-4-6-5/h1-4H2InChIKey=WPBUUKRNYXNFIQ-UHFFFAOYSA-N138.5Ex 138.46(BP est) 1.34(MP est) ----(BP exp) ----(MP exp) C1CC2(CC2)[Se]1 1.3Pred
CC1=CCC[Se]117447147.079C5H8Se5-methyl-2,3-dihydroselenopheneN146CC1=CCC[Se]1InChI=1S/C5H8Se/c1-5-3-2-4-6-5/h3H,2,4H2,1H3InChIKey=PBLACLKPYPRQHA-UHFFFAOYSA-N151.5Ex 151.52(BP est) -12.65(MP est) ----(BP exp) ----(MP exp) CC1=CCC[Se]1 -12.7Pred
C1([Se]2)CCC2C117448147.079C5H8Se5-selenabicyclo[2.1.1]hexaneN146C1([Se]2)CCC2C1InChI=1S/C5H8Se/c1-2-5-3-4(1)6-5/h4-5H,1-3H2InChIKey=YXJIFZZEYQGYOG-UHFFFAOYSA-N143.8Ex 143.80(BP est) -11.17(MP est) ----(BP exp) ----(MP exp) C1([Se]2)CCC2C1 -11.2Pred
C1C2(CC2)C[Se]117449147.079C5H8Se5-selenaspiro[2.3]hexaneN146C1C2(CC2)C[Se]1InChI=1S/C5H8Se/c1-2-5(1)3-6-4-5/h1-4H2InChIKey=OTJZHZUDDCPBJA-UHFFFAOYSA-N138.5Ex 138.46(BP est) 1.34(MP est) ----(BP exp) ----(MP exp) C1C2(CC2)C[Se]1 1.3Pred
C12C(CCC2)[Se]117450147.079C5H8Se6-selenabicyclo[3.1.0]hexaneN146C12C(CCC2)[Se]1InChI=1S/C5H8Se/c1-2-4-5(3-1)6-4/h4-5H,1-3H2InChIKey=OJJYNYJEALWUGN-UHFFFAOYSA-N143.8Ex 143.80(BP est) -11.17(MP est) ----(BP exp) ----(MP exp) C12C(CCC2)[Se]1 -11.2Pred
CCC#C[Se]C17452147.079C5H8Sebut-1-yn-1-yl(methyl)selaneN146CCC#C[Se]CInChI=1S/C5H8Se/c1-3-4-5-6-2/h3H2,1-2H3InChIKey=LBJDBFLPBXCTCK-UHFFFAOYSA-N154.3Ex 154.31(BP est) 25.24(MP est) ----(BP exp) ----(MP exp) CCC#C[Se]C 25.2Pred
C[Se]C(C=C)=C17456147.079C5H8Sebuta-1,3-dien-2-yl(methyl)selaneN146C[Se]C(C=C)=CInChI=1S/C5H8Se/c1-4-5(2)6-3/h4H,1-2H2,3H3InChIKey=NFMYPGXAQKZVNR-UHFFFAOYSA-N128.6Ex 128.62(BP est) -44.05(MP est) ----(BP exp) ----(MP exp) C[Se]C(C=C)=C -44.1Pred
C[Se]CC=C=C17457147.079C5H8Sebuta-2,3-dien-1-yl(methyl)selaneN146C[Se]CC=C=CInChI=1S/C5H8Se/c1-3-4-5-6-2/h4H,1,5H2,2H3InChIKey=FHGCAIXCLTUTBR-UHFFFAOYSA-N138.3Ex 138.33(BP est) -30.09(MP est) ----(BP exp) ----(MP exp) C[Se]CC=C=C -30.1Pred
C[Se]C1=CCC117458147.079C5H8Secyclobut-1-en-1-yl(methyl)selaneN146C[Se]C1=CCC1InChI=1S/C5H8Se/c1-6-5-3-2-4-5/h3H,2,4H2,1H3InChIKey=LRUISHZINLUDSO-UHFFFAOYSA-N151.5Ex 151.52(BP est) -12.65(MP est) ----(BP exp) ----(MP exp) C[Se]C1=CCC1 -12.7Pred
[SeH]C(I)C(C)C17462262.98C4H9ISe1-iodo-2-methylpropane-1-selenolN156[Se]([H])C(I)C(C)CInChI=1S/C4H9ISe/c1-3(2)4(5)6/h3-4,6H,1-2H3InChIKey=XDDRPZDDTHMKJB-UHFFFAOYSA-N193.6Ex 193.57(BP est) 0.24(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(I)C(C)C 0.2Pred
[SeH]CC(C)(I)C17466262.98C4H9ISe2-iodo-2-methylpropane-1-selenolN156[Se]([H])CC(C)(I)CInChI=1S/C4H9ISe/c1-4(2,5)3-6/h6H,3H2,1-2H3InChIKey=QZGAPVBKKABJGB-UHFFFAOYSA-N197.7Ex 197.72(BP est) 17.66(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)(I)C 17.7Pred
[SeH]CC(C)CI17469262.98C4H9ISe3-iodo-2-methylpropane-1-selenolN156[Se]([H])CC(C)CIInChI=1S/C4H9ISe/c1-4(2-5)3-6/h4,6H,2-3H2,1H3InChIKey=DMWRFWJLFLOHDL-UHFFFAOYSA-N205.6Ex 205.59(BP est) 11.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C)CI 11.3Pred
BrC1(Br)C[Se]117476264.806C2H2Br2Se2,2-dibromoseleniraneN75BrC1(Br)C[Se]1InChI=1S/C2H2Br2Se/c3-2(4)1-5-2/h1H2InChIKey=KQQBUCZFCZUQRU-UHFFFAOYSA-N202.5Ex 202.47(BP est) 28.19(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C[Se]1 28.2Pred
BrC1C(Br)[Se]117477264.806C2H2Br2Se2,3-dibromoseleniraneN75BrC1C(Br)[Se]1InChI=1S/C2H2Br2Se/c3-1-2(4)5-1/h1-2HInChIKey=DBZRRKFZKPAGCW-UHFFFAOYSA-N207.2Ex 207.15(BP est) 28.52(MP est) ----(BP exp) ----(MP exp) BrC1C(Br)[Se]1 28.5Pred
C[Se]C(F)=CI17478264.928C3H4FISe(1-fluoro-2-iodovinyl)(methyl)selaneN106C[Se]C(F)=CIInChI=1S/C3H4FISe/c1-6-3(4)2-5/h2H,1H3InChIKey=VBCOSNBLLPZWQD-UHFFFAOYSA-N198.5Ex 198.52(BP est) -6.36(MP est) ----(BP exp) ----(MP exp) C[Se]C(F)=CI -6.4Pred
IC[Se]C(F)=C17479264.928C3H4FISe(1-fluorovinyl)(iodomethyl)selaneN106IC[Se]C(F)=CInChI=1S/C3H4FISe/c1-3(4)6-2-5/h1-2H2InChIKey=OLANWGFAUBYVAQ-UHFFFAOYSA-N190.8Ex 190.80(BP est) -6.96(MP est) ----(BP exp) ----(MP exp) IC[Se]C(F)=C -7Pred
C[Se]C(I)=CF17480264.928C3H4FISe(2-fluoro-1-iodovinyl)(methyl)selaneN106C[Se]C(I)=CFInChI=1S/C3H4FISe/c1-6-3(5)2-4/h2H,1H3InChIKey=WPMIBLOCEMJQAT-UHFFFAOYSA-N198.5Ex 198.52(BP est) -6.36(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)=CF -6.4Pred
C[Se]C=C(F)I17481264.928C3H4FISe(2-fluoro-2-iodovinyl)(methyl)selaneN106C[Se]C=C(F)IInChI=1S/C3H4FISe/c1-6-2-3(4)5/h2H,1H3InChIKey=DOGXDNVDUXBIOR-UHFFFAOYSA-N198.5Ex 198.52(BP est) -6.36(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(F)I -6.4Pred
IC[Se]C=CF17482264.928C3H4FISe(2-fluorovinyl)(iodomethyl)selaneN106IC[Se]C=CFInChI=1S/C3H4FISe/c4-1-2-6-3-5/h1-2H,3H2InChIKey=WCHDVBLFVPQAEB-UHFFFAOYSA-N203.9Ex 203.94(BP est) 2.20(MP est) ----(BP exp) ----(MP exp) IC[Se]C=CF 2.2Pred
FC(I)[Se]C=C17483264.928C3H4FISe(fluoroiodomethyl)(vinyl)selaneN106FC(I)[Se]C=CInChI=1S/C3H4FISe/c1-2-6-3(4)5/h2-3H,1H2InChIKey=TURFFPGZRMRIOK-UHFFFAOYSA-N184.1Ex 184.05(BP est) -9.45(MP est) ----(BP exp) ----(MP exp) FC(I)[Se]C=C -9.5Pred
FC[Se]C(I)=C17484264.928C3H4FISe(fluoromethyl)(1-iodovinyl)selaneN106FC[Se]C(I)=CInChI=1S/C3H4FISe/c1-3(5)6-2-4/h1-2H2InChIKey=VMGJNHNLEQRXID-UHFFFAOYSA-N190.8Ex 190.80(BP est) -6.96(MP est) ----(BP exp) ----(MP exp) FC[Se]C(I)=C -7Pred
FC[Se]C=CI17485264.928C3H4FISe(fluoromethyl)(2-iodovinyl)selaneN106FC[Se]C=CIInChI=1S/C3H4FISe/c4-3-6-2-1-5/h1-2H,3H2InChIKey=PVCLCCPLAVSIJS-UHFFFAOYSA-N203.9Ex 203.94(BP est) 2.20(MP est) ----(BP exp) ----(MP exp) FC[Se]C=CI 2.2Pred
FC(I)C1C[Se]117490264.928C3H4FISe2-(fluoroiodomethyl)seleniraneN106FC(I)C1C[Se]1InChI=1S/C3H4FISe/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=OXEJMMDRFJGRRU-UHFFFAOYSA-N187.2Ex 187.20(BP est) 3.08(MP est) ----(BP exp) ----(MP exp) FC(I)C1C[Se]1 3.1Pred
IC1(CF)C[Se]117491264.928C3H4FISe2-(fluoromethyl)-2-iodoseleniraneN106IC1(CF)C[Se]1InChI=1S/C3H4FISe/c4-1-3(5)2-6-3/h1-2H2InChIKey=ALSOBUOBCPWNLN-UHFFFAOYSA-N188.7Ex 188.74(BP est) 22.98(MP est) ----(BP exp) ----(MP exp) IC1(CF)C[Se]1 23Pred
IC1C(CF)[Se]117492264.928C3H4FISe2-(fluoromethyl)-3-iodoseleniraneN106IC1C(CF)[Se]1InChI=1S/C3H4FISe/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=BNSVQCUYNXOBTP-UHFFFAOYSA-N193.6Ex 193.57(BP est) 10.32(MP est) ----(BP exp) ----(MP exp) IC1C(CF)[Se]1 10.3Pred
FC1(CI)C[Se]117495264.928C3H4FISe2-fluoro-2-(iodomethyl)seleniraneN106FC1(CI)C[Se]1InChI=1S/C3H4FISe/c4-3(1-5)2-6-3/h1-2H2InChIKey=DBSHSAKAEZXVFY-UHFFFAOYSA-N188.7Ex 188.74(BP est) 22.98(MP est) ----(BP exp) ----(MP exp) FC1(CI)C[Se]1 23Pred
FC1(I)C(C)[Se]117496264.928C3H4FISe2-fluoro-2-iodo-3-methylseleniraneN106FC1(I)C(C)[Se]1InChI=1S/C3H4FISe/c1-2-3(4,5)6-2/h2H,1H3InChIKey=ADXQKBGNQSGSJF-UHFFFAOYSA-N182.8Ex 182.78(BP est) 19.12(MP est) ----(BP exp) ----(MP exp) FC1(I)C(C)[Se]1 19.1Pred
FC1(I)[Se]CC117498264.928C3H4FISe2-fluoro-2-iodoselenetaneN106FC1(I)[Se]CC1InChI=1S/C3H4FISe/c4-3(5)1-2-6-3/h1-2H2InChIKey=FXZXMTUEIBRDFU-UHFFFAOYSA-N190.6Ex 190.60(BP est) 21.77(MP est) ----(BP exp) ----(MP exp) FC1(I)[Se]CC1 21.8Pred
FC1C(CI)[Se]117499264.928C3H4FISe2-fluoro-3-(iodomethyl)seleniraneN106FC1C(CI)[Se]1InChI=1S/C3H4FISe/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=XKSREFYSMYHBJD-UHFFFAOYSA-N193.6Ex 193.57(BP est) 10.32(MP est) ----(BP exp) ----(MP exp) FC1C(CI)[Se]1 10.3Pred
IC1C(C)(F)[Se]117500264.928C3H4FISe2-fluoro-3-iodo-2-methylseleniraneN106IC1C(C)(F)[Se]1InChI=1S/C3H4FISe/c1-3(4)2(5)6-3/h2H,1H3InChIKey=QKZPMIPHKKTVGL-UHFFFAOYSA-N182.8Ex 182.78(BP est) 19.12(MP est) ----(BP exp) ----(MP exp) IC1C(C)(F)[Se]1 19.1Pred
FC1[Se]CC1I17503264.928C3H4FISe2-fluoro-3-iodoselenetaneN106FC1[Se]CC1IInChI=1S/C3H4FISe/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=HEZFYGMCSCNSQR-UHFFFAOYSA-N195.4Ex 195.41(BP est) 9.10(MP est) ----(BP exp) ----(MP exp) FC1[Se]CC1I 9.1Pred
IC1CC(F)[Se]117504264.928C3H4FISe2-fluoro-4-iodoselenetaneN106IC1CC(F)[Se]1InChI=1S/C3H4FISe/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=DRTZSTFKPJYJJB-UHFFFAOYSA-N195.4Ex 195.41(BP est) 9.10(MP est) ----(BP exp) ----(MP exp) IC1CC(F)[Se]1 9.1Pred
FC1C(C)(I)[Se]117506264.928C3H4FISe3-fluoro-2-iodo-2-methylseleniraneN106FC1C(C)(I)[Se]1InChI=1S/C3H4FISe/c1-3(5)2(4)6-3/h2H,1H3InChIKey=ULRLBNYSAXXEFD-UHFFFAOYSA-N182.8Ex 182.78(BP est) 19.12(MP est) ----(BP exp) ----(MP exp) FC1C(C)(I)[Se]1 19.1Pred
IC1[Se]CC1F17508264.928C3H4FISe3-fluoro-2-iodoselenetaneN106IC1[Se]CC1FInChI=1S/C3H4FISe/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=YTLWZBJCFBMRHM-UHFFFAOYSA-N195.4Ex 195.41(BP est) 9.10(MP est) ----(BP exp) ----(MP exp) IC1[Se]CC1F 9.1Pred
FC1(I)C[Se]C117510264.928C3H4FISe3-fluoro-3-iodoselenetaneN106FC1(I)C[Se]C1InChI=1S/C3H4FISe/c4-3(5)1-6-2-3/h1-2H2InChIKey=AZPULEDXPZVOPF-UHFFFAOYSA-N190.6Ex 190.60(BP est) 21.77(MP est) ----(BP exp) ----(MP exp) FC1(I)C[Se]C1 21.8Pred
C[Se][Se]CI17539313.886C2H5ISe21-(iodomethyl)-2-methyldiselaneN105C[Se][Se]CIInChI=1S/C2H5ISe2/c1-4-5-2-3/h2H2,1H3InChIKey=LWRONTKKJOVASW-UHFFFAOYSA-N248.6Ex 248.60(BP est) 50.07(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CI 50.1Pred
ClC1(I)C[Se]117540267.352C2H2ClISe2-chloro-2-iodoseleniraneN75ClC1(I)C[Se]1InChI=1S/C2H2ClISe/c3-2(4)1-5-2/h1H2InChIKey=ZCKPFKSYSXSKGN-UHFFFAOYSA-N198.6Ex 198.64(BP est) 24.04(MP est) ----(BP exp) ----(MP exp) ClC1(I)C[Se]1 24Pred
ClC1C(I)[Se]117541267.352C2H2ClISe2-chloro-3-iodoseleniraneN75ClC1C(I)[Se]1InChI=1S/C2H2ClISe/c3-1-2(4)5-1/h1-2HInChIKey=TUAAFUXUCOESDM-UHFFFAOYSA-N214.0Ex 213.98(BP est) 25.31(MP est) ----(BP exp) ----(MP exp) ClC1C(I)[Se]1 25.3Pred
IC1C(F)(F)[Se]117542268.891C2HF2ISe2,2-difluoro-3-iodoseleniraneN76IC1C(F)(F)[Se]1InChI=1S/C2HF2ISe/c3-2(4)1(5)6-2/h1HInChIKey=PEIOKIFKEGCHTO-UHFFFAOYSA-N163.8Ex 163.76(BP est) 8.23(MP est) ----(BP exp) ----(MP exp) IC1C(F)(F)[Se]1 8.2Pred
FC1C(I)(F)[Se]117543268.891C2HF2ISe2,3-difluoro-2-iodoseleniraneN76FC1C(I)(F)[Se]1InChI=1S/C2HF2ISe/c3-1-2(4,5)6-1/h1HInChIKey=QKQMRZZHNFLHNF-UHFFFAOYSA-N163.8Ex 163.76(BP est) 8.23(MP est) ----(BP exp) ----(MP exp) FC1C(I)(F)[Se]1 8.2Pred
C[Se]C(Br)=CBr17560278.833C3H4Br2Se(1,2-dibromovinyl)(methyl)selaneN106C[Se]C(Br)=CBrInChI=1S/C3H4Br2Se/c1-6-3(5)2-4/h2H,1H3InChIKey=AYRJTEPFJFGFPF-UHFFFAOYSA-N230.9Ex 230.86(BP est) 33.55(MP est) ----(BP exp) ----(MP exp) C[Se]C(Br)=CBr 33.6Pred
C[Se]C=C(Br)Br17561278.833C3H4Br2Se(2,2-dibromovinyl)(methyl)selaneN106C[Se]C=C(Br)BrInChI=1S/C3H4Br2Se/c1-6-2-3(4)5/h2H,1H3InChIKey=QFNONJOBSVAEBV-UHFFFAOYSA-N230.9Ex 230.86(BP est) 33.55(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(Br)Br 33.6Pred
BrC[Se]C(Br)=C17562278.833C3H4Br2Se(bromomethyl)(1-bromovinyl)selaneN106BrC[Se]C(Br)=CInChI=1S/C3H4Br2Se/c1-3(5)6-2-4/h1-2H2InChIKey=PYRNFIUGHOGLKO-UHFFFAOYSA-N223.7Ex 223.73(BP est) 33.13(MP est) ----(BP exp) ----(MP exp) BrC[Se]C(Br)=C 33.1Pred
BrC[Se]C=CBr17563278.833C3H4Br2Se(bromomethyl)(2-bromovinyl)selaneN106BrC[Se]C=CBrInChI=1S/C3H4Br2Se/c4-1-2-6-3-5/h1-2H,3H2InChIKey=MJXAAEVMLXSJHX-UHFFFAOYSA-N235.9Ex 235.86(BP est) 41.99(MP est) ----(BP exp) ----(MP exp) BrC[Se]C=CBr 42Pred
BrC(Br)[Se]C=C17564278.833C3H4Br2Se(dibromomethyl)(vinyl)selaneN106BrC(Br)[Se]C=CInChI=1S/C3H4Br2Se/c1-2-6-3(4)5/h2-3H,1H2InChIKey=TZCYNBYFTQJABR-UHFFFAOYSA-N217.5Ex 217.48(BP est) 30.79(MP est) ----(BP exp) ----(MP exp) BrC(Br)[Se]C=C 30.8Pred
BrC(Br)C1C[Se]117565278.833C3H4Br2Se2-(dibromomethyl)seleniraneN106BrC(Br)C1C[Se]1InChI=1S/C3H4Br2Se/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=JVINTVTWHZHPEF-UHFFFAOYSA-N220.4Ex 220.39(BP est) 33.84(MP est) ----(BP exp) ----(MP exp) BrC(Br)C1C[Se]1 33.8Pred
BrC1(Br)C(C)[Se]117566278.833C3H4Br2Se2,2-dibromo-3-methylseleniraneN106BrC1(Br)C(C)[Se]1InChI=1S/C3H4Br2Se/c1-2-3(4,5)6-2/h2H,1H3InChIKey=VXOMSVJXSVQWKD-UHFFFAOYSA-N216.3Ex 216.30(BP est) 36.01(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C(C)[Se]1 36Pred
BrC1(Br)[Se]CC117567278.833C3H4Br2Se2,2-dibromoselenetaneN106BrC1(Br)[Se]CC1InChI=1S/C3H4Br2Se/c4-3(5)1-2-6-3/h1-2H2InChIKey=UNWDCDZJRYDRCG-UHFFFAOYSA-N223.5Ex 223.54(BP est) 39.36(MP est) ----(BP exp) ----(MP exp) BrC1(Br)[Se]CC1 39.4Pred
BrC1C(C)(Br)[Se]117568278.833C3H4Br2Se2,3-dibromo-2-methylseleniraneN106BrC1C(C)(Br)[Se]1InChI=1S/C3H4Br2Se/c1-3(5)2(4)6-3/h2H,1H3InChIKey=HDEWOXGDCPIDOP-UHFFFAOYSA-N216.3Ex 216.30(BP est) 36.01(MP est) ----(BP exp) ----(MP exp) BrC1C(C)(Br)[Se]1 36Pred
BrC1[Se]CC1Br17569278.833C3H4Br2Se2,3-dibromoselenetaneN106BrC1[Se]CC1BrInChI=1S/C3H4Br2Se/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=CTHVRUBOWQRRBY-UHFFFAOYSA-N228.0Ex 227.99(BP est) 39.21(MP est) ----(BP exp) ----(MP exp) BrC1[Se]CC1Br 39.2Pred
BrC1CC(Br)[Se]117570278.833C3H4Br2Se2,4-dibromoselenetaneN106BrC1CC(Br)[Se]1InChI=1S/C3H4Br2Se/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=MLDPTARHSUDGIS-UHFFFAOYSA-N228.0Ex 227.99(BP est) 39.21(MP est) ----(BP exp) ----(MP exp) BrC1CC(Br)[Se]1 39.2Pred
BrC1(CBr)C[Se]117571278.833C3H4Br2Se2-bromo-2-(bromomethyl)seleniraneN106BrC1(CBr)C[Se]1InChI=1S/C3H4Br2Se/c4-1-3(5)2-6-3/h1-2H2InChIKey=UKAYKMUWKYFXOQ-UHFFFAOYSA-N221.8Ex 221.81(BP est) 39.48(MP est) ----(BP exp) ----(MP exp) BrC1(CBr)C[Se]1 39.5Pred
BrC1C(CBr)[Se]117572278.833C3H4Br2Se2-bromo-3-(bromomethyl)seleniraneN106BrC1C(CBr)[Se]1InChI=1S/C3H4Br2Se/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=KEYXFOVSDWEGPD-UHFFFAOYSA-N226.3Ex 226.28(BP est) 39.72(MP est) ----(BP exp) ----(MP exp) BrC1C(CBr)[Se]1 39.7Pred
BrC1(Br)C[Se]C117573278.833C3H4Br2Se3,3-dibromoselenetaneN106BrC1(Br)C[Se]C1InChI=1S/C3H4Br2Se/c4-3(5)1-6-2-3/h1-2H2InChIKey=MNIUJRJAAPIOMS-UHFFFAOYSA-N223.5Ex 223.54(BP est) 39.36(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C[Se]C1 39.4Pred
C[Se]C(Cl)=CI17580281.379C3H4ClISe(1-chloro-2-iodovinyl)(methyl)selaneN106C[Se]C(Cl)=CIInChI=1S/C3H4ClISe/c1-6-3(4)2-5/h2H,1H3InChIKey=KGQOVWSVSWWUGA-UHFFFAOYSA-N225.6Ex 225.63(BP est) 16.22(MP est) ----(BP exp) ----(MP exp) C[Se]C(Cl)=CI 16.2Pred
IC[Se]C(Cl)=C17581281.379C3H4ClISe(1-chlorovinyl)(iodomethyl)selaneN106IC[Se]C(Cl)=CInChI=1S/C3H4ClISe/c1-3(4)6-2-5/h1-2H2InChIKey=NIWGFERFRQDSTJ-UHFFFAOYSA-N218.4Ex 218.41(BP est) 15.77(MP est) ----(BP exp) ----(MP exp) IC[Se]C(Cl)=C 15.8Pred
C[Se]C(I)=CCl17582281.379C3H4ClISe(2-chloro-1-iodovinyl)(methyl)selaneN106C[Se]C(I)=CClInChI=1S/C3H4ClISe/c1-6-3(5)2-4/h2H,1H3InChIKey=HVJYFNFDZQRUEE-UHFFFAOYSA-N225.6Ex 225.63(BP est) 16.22(MP est) ----(BP exp) ----(MP exp) C[Se]C(I)=CCl 16.2Pred
C[Se]C=C(Cl)I17583281.379C3H4ClISe(2-chloro-2-iodovinyl)(methyl)selaneN106C[Se]C=C(Cl)IInChI=1S/C3H4ClISe/c1-6-2-3(4)5/h2H,1H3InChIKey=JFIODVWOEYPXLN-UHFFFAOYSA-N225.6Ex 225.63(BP est) 16.22(MP est) ----(BP exp) ----(MP exp) C[Se]C=C(Cl)I 16.2Pred
IC[Se]C=CCl17584281.379C3H4ClISe(2-chlorovinyl)(iodomethyl)selaneN106IC[Se]C=CClInChI=1S/C3H4ClISe/c4-1-2-6-3-5/h1-2H,3H2InChIKey=RFUKMHXJLHWXPT-UHFFFAOYSA-N230.7Ex 230.71(BP est) 24.68(MP est) ----(BP exp) ----(MP exp) IC[Se]C=CCl 24.7Pred
ClC(I)[Se]C=C17585281.379C3H4ClISe(chloroiodomethyl)(vinyl)selaneN106ClC(I)[Se]C=CInChI=1S/C3H4ClISe/c1-2-6-3(4)5/h2-3H,1H2InChIKey=HYONYPFYPLUFMN-UHFFFAOYSA-N224.1Ex 224.14(BP est) 16.92(MP est) ----(BP exp) ----(MP exp) ClC(I)[Se]C=C 16.9Pred
ClC[Se]C(I)=C17586281.379C3H4ClISe(chloromethyl)(1-iodovinyl)selaneN106ClC[Se]C(I)=CInChI=1S/C3H4ClISe/c1-3(5)6-2-4/h1-2H2InChIKey=WJQSAVZXZXRXRQ-UHFFFAOYSA-N240.2Ex 240.24(BP est) 22.14(MP est) ----(BP exp) ----(MP exp) ClC[Se]C(I)=C 22.1Pred
ClC[Se]C=CI17587281.379C3H4ClISe(chloromethyl)(2-iodovinyl)selaneN106ClC[Se]C=CIInChI=1S/C3H4ClISe/c4-3-6-2-1-5/h1-2H,3H2InChIKey=AZMSFVLHYYRSRY-UHFFFAOYSA-N251.8Ex 251.84(BP est) 30.85(MP est) ----(BP exp) ----(MP exp) ClC[Se]C=CI 30.9Pred
ClC(I)C1C[Se]117588281.379C3H4ClISe2-(chloroiodomethyl)seleniraneN106ClC(I)C1C[Se]1InChI=1S/C3H4ClISe/c4-3(5)2-1-6-2/h2-3H,1H2InChIKey=MQBXAPRUXVLQIY-UHFFFAOYSA-N227.0Ex 227.01(BP est) 29.37(MP est) ----(BP exp) ----(MP exp) ClC(I)C1C[Se]1 29.4Pred
IC1(CCl)C[Se]117589281.379C3H4ClISe2-(chloromethyl)-2-iodoseleniraneN106IC1(CCl)C[Se]1InChI=1S/C3H4ClISe/c4-1-3(5)2-6-3/h1-2H2InChIKey=KHLUKYCJYIIWJM-UHFFFAOYSA-N238.4Ex 238.41(BP est) 43.28(MP est) ----(BP exp) ----(MP exp) IC1(CCl)C[Se]1 43.3Pred
IC1C(CCl)[Se]117590281.379C3H4ClISe2-(chloromethyl)-3-iodoseleniraneN106IC1C(CCl)[Se]1InChI=1S/C3H4ClISe/c4-1-2-3(5)6-2/h2-3H,1H2InChIKey=FESYACYSGCUIIG-UHFFFAOYSA-N242.7Ex 242.69(BP est) 39.33(MP est) ----(BP exp) ----(MP exp) IC1C(CCl)[Se]1 39.3Pred
ClC1(CI)C[Se]117591281.379C3H4ClISe2-chloro-2-(iodomethyl)seleniraneN106ClC1(CI)C[Se]1InChI=1S/C3H4ClISe/c4-3(1-5)2-6-3/h1-2H2InChIKey=CBNPILUSTKVXKS-UHFFFAOYSA-N218.2Ex 218.16(BP est) 35.40(MP est) ----(BP exp) ----(MP exp) ClC1(CI)C[Se]1 35.4Pred
ClC1(I)C(C)[Se]117592281.379C3H4ClISe2-chloro-2-iodo-3-methylseleniraneN106ClC1(I)C(C)[Se]1InChI=1S/C3H4ClISe/c1-2-3(4,5)6-2/h2H,1H3InChIKey=KANQDXYGMBSAMN-UHFFFAOYSA-N212.6Ex 212.60(BP est) 31.82(MP est) ----(BP exp) ----(MP exp) ClC1(I)C(C)[Se]1 31.8Pred
ClC1(I)[Se]CC117593281.379C3H4ClISe2-chloro-2-iodoselenetaneN106ClC1(I)[Se]CC1InChI=1S/C3H4ClISe/c4-3(5)1-2-6-3/h1-2H2InChIKey=UEHJXXBFDDCWKA-UHFFFAOYSA-N219.9Ex 219.91(BP est) 34.90(MP est) ----(BP exp) ----(MP exp) ClC1(I)[Se]CC1 34.9Pred
ClC1C(CI)[Se]117594281.379C3H4ClISe2-chloro-3-(iodomethyl)seleniraneN106ClC1C(CI)[Se]1InChI=1S/C3H4ClISe/c4-3-2(1-5)6-3/h2-3H,1H2InChIKey=OJEDGSQVHLFQKJ-UHFFFAOYSA-N232.8Ex 232.80(BP est) 36.44(MP est) ----(BP exp) ----(MP exp) ClC1C(CI)[Se]1 36.4Pred
IC1C(C)(Cl)[Se]117595281.379C3H4ClISe2-chloro-3-iodo-2-methylseleniraneN106IC1C(C)(Cl)[Se]1InChI=1S/C3H4ClISe/c1-3(4)2(5)6-3/h2H,1H3InChIKey=IERWWCGJEKTQJB-UHFFFAOYSA-N212.6Ex 212.60(BP est) 31.82(MP est) ----(BP exp) ----(MP exp) IC1C(C)(Cl)[Se]1 31.8Pred
ClC1[Se]CC1I17596281.379C3H4ClISe2-chloro-3-iodoselenetaneN106ClC1[Se]CC1IInChI=1S/C3H4ClISe/c4-3-2(5)1-6-3/h2-3H,1H2InChIKey=VZJXYFMTLHRCGE-UHFFFAOYSA-N234.5Ex 234.48(BP est) 35.17(MP est) ----(BP exp) ----(MP exp) ClC1[Se]CC1I 35.2Pred
ClC1CC(I)[Se]117597281.379C3H4ClISe2-chloro-4-iodoselenetaneN106ClC1CC(I)[Se]1InChI=1S/C3H4ClISe/c4-2-1-3(5)6-2/h2-3H,1H2InChIKey=ADRSSAQAYZDXQG-UHFFFAOYSA-N234.5Ex 234.48(BP est) 35.17(MP est) ----(BP exp) ----(MP exp) ClC1CC(I)[Se]1 35.2Pred
ClC1C(C)(I)[Se]117598281.379C3H4ClISe3-chloro-2-iodo-2-methylseleniraneN106ClC1C(C)(I)[Se]1InChI=1S/C3H4ClISe/c1-3(5)2(4)6-3/h2H,1H3InChIKey=MJUORGTYYRHALY-UHFFFAOYSA-N223.0Ex 222.98(BP est) 35.86(MP est) ----(BP exp) ----(MP exp) ClC1C(C)(I)[Se]1 35.9Pred
IC1[Se]CC1Cl17599281.379C3H4ClISe3-chloro-2-iodoselenetaneN106IC1[Se]CC1ClInChI=1S/C3H4ClISe/c4-2-1-6-3(2)5/h2-3H,1H2InChIKey=IXUOUJZUBLNRGR-UHFFFAOYSA-N234.5Ex 234.48(BP est) 35.17(MP est) ----(BP exp) ----(MP exp) IC1[Se]CC1Cl 35.2Pred
ClC1(I)C[Se]C117600281.379C3H4ClISe3-chloro-3-iodoselenetaneN106ClC1(I)C[Se]C1InChI=1S/C3H4ClISe/c4-3(5)1-6-2-3/h1-2H2InChIKey=NXJSVYBFCRLSMG-UHFFFAOYSA-N219.9Ex 219.91(BP est) 34.90(MP est) ----(BP exp) ----(MP exp) ClC1(I)C[Se]C1 34.9Pred
FC1C(Br)(Br)[Se]117601282.796C2HBr2FSe2,2-dibromo-3-fluoroseleniraneN76FC1C(Br)(Br)[Se]1InChI=1S/C2HBr2FSe/c3-2(4)1(5)6-2/h1HInChIKey=FHOUPBLBVSMYDQ-UHFFFAOYSA-N198.7Ex 198.65(BP est) 25.61(MP est) ----(BP exp) ----(MP exp) FC1C(Br)(Br)[Se]1 25.6Pred
BrC1C(F)(Br)[Se]117602282.796C2HBr2FSe2,3-dibromo-2-fluoroseleniraneN76BrC1C(F)(Br)[Se]1InChI=1S/C2HBr2FSe/c3-1-2(4,5)6-1/h1HInChIKey=OIALQGLREQAJPJ-UHFFFAOYSA-N198.7Ex 198.65(BP est) 25.61(MP est) ----(BP exp) ----(MP exp) BrC1C(F)(Br)[Se]1 25.6Pred
C[Se][Se]C(F)I17620331.877C2H4FISe21-(fluoroiodomethyl)-2-methyldiselaneN106C[Se][Se]C(F)IInChI=1S/C2H4FISe2/c1-5-6-2(3)4/h2H,1H3InChIKey=JSOJQOGZPIZILB-UHFFFAOYSA-N239.6Ex 239.62(BP est) 41.76(MP est) ----(BP exp) ----(MP exp) C[Se][Se]C(F)I 41.8Pred
IC[Se][Se]CF17621331.877C2H4FISe21-(fluoromethyl)-2-(iodomethyl)diselaneN106IC[Se][Se]CFInChI=1S/C2H4FISe2/c3-1-5-6-2-4/h1-2H2InChIKey=YIRDLBMQQUFNGV-UHFFFAOYSA-N250.3Ex 250.32(BP est) 50.93(MP est) ----(BP exp) ----(MP exp) IC[Se][Se]CF 50.9Pred
IC1C(F)(Cl)[Se]117622285.343C2HClFISe2-chloro-2-fluoro-3-iodoseleniraneN76IC1C(F)(Cl)[Se]1InChI=1S/C2HClFISe/c3-2(4)1(5)6-2/h1HInChIKey=QBPGMIQIYUANJA-UHFFFAOYSA-N194.8Ex 194.79(BP est) 21.33(MP est) ----(BP exp) ----(MP exp) IC1C(F)(Cl)[Se]1 21.3Pred
FC1C(I)(Cl)[Se]117623285.343C2HClFISe2-chloro-3-fluoro-2-iodoseleniraneN76FC1C(I)(Cl)[Se]1InChI=1S/C2HClFISe/c3-2(5)1(4)6-2/h1HInChIKey=GYKBXVRFXZZVSH-UHFFFAOYSA-N194.8Ex 194.79(BP est) 21.33(MP est) ----(BP exp) ----(MP exp) FC1C(I)(Cl)[Se]1 21.3Pred
ClC1C(I)(F)[Se]117624285.343C2HClFISe3-chloro-2-fluoro-2-iodoseleniraneN76ClC1C(I)(F)[Se]1InChI=1S/C2HClFISe/c3-1-2(4,5)6-1/h1HInChIKey=HLPQSNTVFNENBY-UHFFFAOYSA-N205.6Ex 205.62(BP est) 25.54(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(F)[Se]1 25.5Pred
ClC1C(Br)(Br)[Se]117638299.248C2HBr2ClSe2,2-dibromo-3-chloroseleniraneN76ClC1C(Br)(Br)[Se]1InChI=1S/C2HBr2ClSe/c3-2(4)1(5)6-2/h1HInChIKey=GEGGGFCHBQFZBN-UHFFFAOYSA-N237.4Ex 237.42(BP est) 49.92(MP est) ----(BP exp) ----(MP exp) ClC1C(Br)(Br)[Se]1 49.9Pred
BrC1C(Cl)(Br)[Se]117639299.248C2HBr2ClSe2,3-dibromo-2-chloroseleniraneN76BrC1C(Cl)(Br)[Se]1InChI=1S/C2HBr2ClSe/c3-1-2(4,5)6-1/h1HInChIKey=YSAZAXVMCXRPEJ-UHFFFAOYSA-N227.4Ex 227.41(BP est) 45.54(MP est) ----(BP exp) ----(MP exp) BrC1C(Cl)(Br)[Se]1 45.5Pred
IC1C(Cl)(Cl)[Se]117644301.794C2HCl2ISe2,2-dichloro-3-iodoseleniraneN76IC1C(Cl)(Cl)[Se]1InChI=1S/C2HCl2ISe/c3-2(4)1(5)6-2/h1HInChIKey=DRMHAKONVUCDQK-UHFFFAOYSA-N223.8Ex 223.81(BP est) 42.40(MP est) ----(BP exp) ----(MP exp) IC1C(Cl)(Cl)[Se]1 42.4Pred
ClC1C(I)(Cl)[Se]117645301.794C2HCl2ISe2,3-dichloro-2-iodoseleniraneN76ClC1C(I)(Cl)[Se]1InChI=1S/C2HCl2ISe/c3-1-2(4,5)6-1/h1HInChIKey=VHWMMXLYOCBQNG-UHFFFAOYSA-N233.9Ex 233.91(BP est) 46.33(MP est) ----(BP exp) ----(MP exp) ClC1C(I)(Cl)[Se]1 46.3Pred
BrC1(I)C[Se]117649311.806C2H2BrISe2-bromo-2-iodoseleniraneN75BrC1(I)C[Se]1InChI=1S/C2H2BrISe/c3-2(4)1-5-2/h1H2InChIKey=PGDUEFQQTMNIDV-UHFFFAOYSA-N230.4Ex 230.43(BP est) 46.38(MP est) ----(BP exp) ----(MP exp) BrC1(I)C[Se]1 46.4Pred
BrC1C(I)[Se]117650311.806C2H2BrISe2-bromo-3-iodoseleniraneN75BrC1C(I)[Se]1InChI=1S/C2H2BrISe/c3-1-2(4)5-1/h1-2HInChIKey=WNMYJOQYGBPRLY-UHFFFAOYSA-N234.8Ex 234.80(BP est) 38.70(MP est) ----(BP exp) ----(MP exp) BrC1C(I)[Se]1 38.7Pred
IC1C(F)(Br)[Se]117654329.797C2HBrFISe2-bromo-2-fluoro-3-iodoseleniraneN76IC1C(F)(Br)[Se]1InChI=1S/C2HBrFISe/c3-2(4)1(5)6-2/h1HInChIKey=QOEHYJAMCMBLKE-UHFFFAOYSA-N226.9Ex 226.87(BP est) 43.77(MP est) ----(BP exp) ----(MP exp) IC1C(F)(Br)[Se]1 43.8Pred
FC1C(I)(Br)[Se]117655329.797C2HBrFISe2-bromo-3-fluoro-2-iodoseleniraneN76FC1C(I)(Br)[Se]1InChI=1S/C2HBrFISe/c3-2(5)1(4)6-2/h1HInChIKey=CANYZWLXJPJLAI-UHFFFAOYSA-N226.9Ex 226.87(BP est) 43.77(MP est) ----(BP exp) ----(MP exp) FC1C(I)(Br)[Se]1 43.8Pred
BrC1C(I)(F)[Se]117656329.797C2HBrFISe3-bromo-2-fluoro-2-iodoseleniraneN76BrC1C(I)(F)[Se]1InChI=1S/C2HBrFISe/c3-1-2(4,5)6-1/h1HInChIKey=KSHGBRUXWBQVIU-UHFFFAOYSA-N226.9Ex 226.87(BP est) 43.77(MP est) ----(BP exp) ----(MP exp) BrC1C(I)(F)[Se]1 43.8Pred
O=CC=[Se]17669120.997C2H2OSe2-selenoxoacetaldehydeN64O=CC=[Se]InChI=1S/C2H2OSe/c3-1-2-4/h1-2HInChIKey=UQZLXZVPAIQHFJ-UHFFFAOYSA-N133.3Ex 133.28(BP est) -22.94(MP est) ----(BP exp) ----(MP exp) O=CC=[Se] -22.9Pred
C[Se]SC(F)I17673284.977C2H4FISSe(fluoroiodomethyl)(methylselanyl)sulfaneN106C[Se]SC(F)IInChI=1S/C2H4FISSe/c1-6-5-2(3)4/h2H,1H3InChIKey=CLEJGKOTXPCZEP-UHFFFAOYSA-N222.4Ex 222.38(BP est) 14.19(MP est) ----(BP exp) ----(MP exp) C[Se]SC(F)I 14.2Pred
CS[Se]C(F)I17674284.977C2H4FISSe((fluoroiodomethyl)selanyl)(methyl)sulfaneN106CS[Se]C(F)IInChI=1S/C2H4FISSe/c1-5-6-2(3)4/h2H,1H3InChIKey=WOPWTIIGZXWTQT-UHFFFAOYSA-N222.4Ex 222.38(BP est) 14.19(MP est) ----(BP exp) ----(MP exp) CS[Se]C(F)I 14.2Pred
ICS[Se]CF17675284.977C2H4FISSe((fluoromethyl)selanyl)(iodomethyl)sulfaneN106ICS[Se]CFInChI=1S/C2H4FISSe/c3-1-6-5-2-4/h1-2H2InChIKey=NFEZIANWRXQSFR-UHFFFAOYSA-N233.6Ex 233.59(BP est) 24.96(MP est) ----(BP exp) ----(MP exp) ICS[Se]CF 25Pred
IC[Se]SCF17676284.977C2H4FISSe(fluoromethyl)((iodomethyl)selanyl)sulfaneN106IC[Se]SCFInChI=1S/C2H4FISSe/c3-1-5-6-2-4/h1-2H2InChIKey=GSEROQDZSYTCMO-UHFFFAOYSA-N233.6Ex 233.59(BP est) 24.96(MP est) ----(BP exp) ----(MP exp) IC[Se]SCF 25Pred
C[Se]SCI17677266.986C2H5ISSe(iodomethyl)(methylselanyl)sulfaneN105C[Se]SCIInChI=1S/C2H5ISSe/c1-5-4-2-3/h2H2,1H3InChIKey=BJEYGNGMUPILBW-UHFFFAOYSA-N231.8Ex 231.79(BP est) 24.14(MP est) ----(BP exp) ----(MP exp) C[Se]SCI 24.1Pred
CS[Se]CI17678266.986C2H5ISSe((iodomethyl)selanyl)(methyl)sulfaneN105CS[Se]CIInChI=1S/C2H5ISSe/c1-4-5-2-3/h2H2,1H3InChIKey=FYDWGRZPSWDYCW-UHFFFAOYSA-N231.8Ex 231.79(BP est) 24.14(MP est) ----(BP exp) ----(MP exp) CS[Se]CI 24.1Pred
CS[Se][Se]C17679220.05C2H6SSe2methyl(methyldiselaneyl)sulfaneN115CS[Se][Se]CInChI=1S/C2H6SSe2/c1-3-5-4-2/h1-2H3InChIKey=XUTRGSRVUYEAKX-UHFFFAOYSA-N214.8Ex 214.81(BP est) 29.02(MP est) ----(BP exp) ----(MP exp) CS[Se][Se]C 29Pred
CSS[Se]C17680173.15C2H6S2Se1-methyl-2-(methylselanyl)disulfaneN115CSS[Se]CInChI=1S/C2H6S2Se/c1-3-4-5-2/h1-2H3InChIKey=RYFFAQAQADWQTK-UHFFFAOYSA-N196.4Ex 196.44(BP est) 1.99(MP est) ----(BP exp) ----(MP exp) CSS[Se]C 2Pred
C[Se]S[Se]C17681220.05C2H6SSe21,3-dimethyldiselenathianeN115C[Se]S[Se]CInChI=1S/C2H6SSe2/c1-4-3-5-2/h1-2H3InChIKey=JQDQKAGJYXCLDZ-UHFFFAOYSA-N85.6Ex 214.81(BP est) 29.02(MP est) ----(BP exp) ----(MP exp) C[Se]S[Se]C 29Pred
[Se]=C=C=C=S17682147.053C3SSe3-selenoxopropa-1,2-diene-1-thioneN55[Se]=C=C=C=SInChI=1S/C3SSe/c4-2-1-3-5InChIKey=WBWABVQEBJPKLS-UHFFFAOYSA-N99.0Ex 99.02(BP est) -32.40(MP est) ----(BP exp) ----(MP exp) [Se]=C=C=C=S -32.4Pred
[SeH]CCS17683141.09C2H6SSe2-hydroselenoethane-1-thiolN104[Se]([H])CCSInChI=1S/C2H6SSe/c3-1-2-4/h3-4H,1-2H2InChIKey=YCQRCKUPDGQRMZ-UHFFFAOYSA-N150.7Ex 150.67(BP est) -19.36(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCS -19.4Pred
C[Se]SC17684141.09C2H6SSemethyl(methylselanyl)sulfaneN104C[Se]SCInChI=1S/C2H6SSe/c1-3-4-2/h1-2H3InChIKey=LAEOMBGBTHRVJT-UHFFFAOYSA-N135.2Ex 135.20(BP est) -33.09(MP est) ----(BP exp) ----(MP exp) C[Se]SC -33.1Pred
[SeH]CSC17685141.09C2H6SSe(methylthio)methaneselenolN104[Se]([H])CSCInChI=1S/C2H6SSe/c1-3-2-4/h4H,2H2,1H3InChIKey=KAQWCRCBKUSMGR-UHFFFAOYSA-N137.3Ex 137.29(BP est) -24.29(MP est) ----(BP exp) ----(MP exp) [Se]([H])CSC -24.3Pred
SC[Se]C17686141.09C2H6SSe(methylselanyl)methanethiolN104SC[Se]CInChI=1S/C2H6SSe/c1-4-2-3/h3H,2H2,1H3InChIKey=NTODAALKVWZEIC-UHFFFAOYSA-N148.6Ex 148.63(BP est) -28.14(MP est) ----(BP exp) ----(MP exp) SC[Se]C -28.1Pred
[Se]=CCS17687139.074C2H4SSe2-mercaptoethaneselenalN84[Se]=CCSInChI=1S/C2H4SSe/c3-1-2-4/h2-3H,1H2InChIKey=FYJDQSZUUAVYHL-UHFFFAOYSA-N154.1Ex 154.06(BP est) -19.64(MP est) ----(BP exp) ----(MP exp) [Se]=CCS -19.6Pred
[Se]=CC=S17688137.058C2H2SSe2-selenoxoethanethialN64[Se]=CC=SInChI=1S/C2H2SSe/c3-1-2-4/h1-2HInChIKey=AMYXFJDIIXYHHZ-UHFFFAOYSA-N78.9Ex 78.87(BP est) -52.91(MP est) ----(BP exp) ----(MP exp) [Se]=CC=S -52.9Pred
ClCS[Se]CBr17690254.428C2H4BrClSSe((bromomethyl)selanyl)(chloromethyl)sulfaneN106ClCS[Se]CBrInChI=1S/C2H4BrClSSe/c3-1-6-5-2-4/h1-2H2InChIKey=SEPUHPYKFJYVJZ-UHFFFAOYSA-N253.5Ex 253.53(BP est) 46.32(MP est) ----(BP exp) ----(MP exp) ClCS[Se]CBr 46.3Pred
ClC[Se]SCBr17691254.428C2H4BrClSSe(bromomethyl)((chloromethyl)selanyl)sulfaneN106ClC[Se]SCBrInChI=1S/C2H4BrClSSe/c3-1-5-6-2-4/h1-2H2InChIKey=YHEDJNAHLVRRPU-UHFFFAOYSA-N253.5Ex 253.53(BP est) 46.32(MP est) ----(BP exp) ----(MP exp) ClC[Se]SCBr 46.3Pred
BrCS[Se]CF17692237.976C2H4BrFSSe(bromomethyl)((fluoromethyl)selanyl)sulfaneN106BrCS[Se]CFInChI=1S/C2H4BrFSSe/c3-1-5-6-2-4/h1-2H2InChIKey=LDBGGRDNTGFXHO-UHFFFAOYSA-N205.9Ex 205.85(BP est) 17.73(MP est) ----(BP exp) ----(MP exp) BrCS[Se]CF 17.7Pred
BrC[Se]SCF17693237.976C2H4BrFSSe((bromomethyl)selanyl)(fluoromethyl)sulfaneN106BrC[Se]SCFInChI=1S/C2H4BrFSSe/c3-1-6-5-2-4/h1-2H2InChIKey=NOBNTMZYXWCGEC-UHFFFAOYSA-N205.9Ex 205.85(BP est) 17.73(MP est) ----(BP exp) ----(MP exp) BrC[Se]SCF 17.7Pred
CS[Se]C(Br)F17694237.976C2H4BrFSSe((bromofluoromethyl)selanyl)(methyl)sulfaneN106CS[Se]C(Br)FInChI=1S/C2H4BrFSSe/c1-5-6-2(3)4/h2H,1H3InChIKey=PDNBPPUMFGVPSV-UHFFFAOYSA-N193.8Ex 193.84(BP est) 6.73(MP est) ----(BP exp) ----(MP exp) CS[Se]C(Br)F 6.7Pred
C[Se]SC(Br)F17695237.976C2H4BrFSSe(bromofluoromethyl)(methylselanyl)sulfaneN106C[Se]SC(Br)FInChI=1S/C2H4BrFSSe/c1-6-5-2(3)4/h2H,1H3InChIKey=UYOPYLZDKDDPIB-UHFFFAOYSA-N193.8Ex 193.84(BP est) 6.73(MP est) ----(BP exp) ----(MP exp) C[Se]SC(Br)F 6.7Pred
BrC[Se]SCC17697234.013C3H7BrSSe((bromomethyl)selanyl)(ethyl)sulfaneN136BrC[Se]SCCInChI=1S/C3H7BrSSe/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=CNXHERIQPJIKRF-UHFFFAOYSA-N223.2Ex 223.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) BrC[Se]SCC 28.1Pred
BrCS[Se]CC17698234.013C3H7BrSSe(bromomethyl)(ethylselanyl)sulfaneN136BrCS[Se]CCInChI=1S/C3H7BrSSe/c1-2-6-5-3-4/h2-3H2,1H3InChIKey=PWPONMZECCWVHW-UHFFFAOYSA-N223.2Ex 223.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) BrCS[Se]CC 28.1Pred
CS[Se]CCBr17699234.013C3H7BrSSe((2-bromoethyl)selanyl)(methyl)sulfaneN136CS[Se]CCBrInChI=1S/C3H7BrSSe/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=NZDOIHIOXUQKPX-UHFFFAOYSA-N223.2Ex 223.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) CS[Se]CCBr 28.1Pred
C[Se]SCCBr17700234.013C3H7BrSSe(2-bromoethyl)(methylselanyl)sulfaneN136C[Se]SCCBrInChI=1S/C3H7BrSSe/c1-6-5-3-2-4/h2-3H2,1H3InChIKey=YRGVDMYVAUKIKG-UHFFFAOYSA-N223.2Ex 223.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) C[Se]SCCBr 28.1Pred
CS[Se]C(Br)C17701234.013C3H7BrSSe((1-bromoethyl)selanyl)(methyl)sulfaneN136CS[Se]C(Br)CInChI=1S/C3H7BrSSe/c1-3(4)6-5-2/h3H,1-2H3InChIKey=FJLUOECMLMBGFA-UHFFFAOYSA-N211.7Ex 211.69(BP est) 17.28(MP est) ----(BP exp) ----(MP exp) CS[Se]C(Br)C 17.3Pred
C[Se]SC(Br)C17702234.013C3H7BrSSe(1-bromoethyl)(methylselanyl)sulfaneN136C[Se]SC(Br)CInChI=1S/C3H7BrSSe/c1-3(4)5-6-2/h3H,1-2H3InChIKey=MMHAHOIULUMBOB-UHFFFAOYSA-N211.7Ex 211.69(BP est) 17.28(MP est) ----(BP exp) ----(MP exp) C[Se]SC(Br)C 17.3Pred
CSC(Br)[Se]C17703234.013C3H7BrSSe(bromo(methylselanyl)methyl)(methyl)sulfaneN136CSC(Br)[Se]CInChI=1S/C3H7BrSSe/c1-5-3(4)6-2/h3H,1-2H3InChIKey=XHUPPRMMLXMCCC-UHFFFAOYSA-N211.7Ex 211.69(BP est) 17.28(MP est) ----(BP exp) ----(MP exp) CSC(Br)[Se]C 17.3Pred
CSC[Se]CBr17704234.013C3H7BrSSe(((bromomethyl)selanyl)methyl)(methyl)sulfaneN136CSC[Se]CBrInChI=1S/C3H7BrSSe/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=CXQYGRQKHSDRBE-UHFFFAOYSA-N223.2Ex 223.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) CSC[Se]CBr 28.1Pred
C[Se]CSCBr17705234.013C3H7BrSSe(bromomethyl)((methylselanyl)methyl)sulfaneN136C[Se]CSCBrInChI=1S/C3H7BrSSe/c1-6-3-5-2-4/h2-3H2,1H3InChIKey=IMSOCMIOBSKKRM-UHFFFAOYSA-N223.2Ex 223.20(BP est) 28.14(MP est) ----(BP exp) ----(MP exp) C[Se]CSCBr 28.1Pred
CS[Se]SC17708173.15C2H6S2Sebis(methylthio)selaneN115CS[Se]SCInChI=1S/C2H6S2Se/c1-3-5-4-2/h1-2H3InChIKey=SMYUGMJGEHVHJO-UHFFFAOYSA-N196.4Ex 196.44(BP est) 1.99(MP est) ----(BP exp) ----(MP exp) CS[Se]SC 2Pred
CS[Se]CBr17709219.986C2H5BrSSe((bromomethyl)selanyl)(methyl)sulfaneN105CS[Se]CBrInChI=1S/C2H5BrSSe/c1-4-5-2-3/h2H2,1H3InChIKey=IWIVZFCXJFBAFD-UHFFFAOYSA-N203.9Ex 203.92(BP est) 16.87(MP est) ----(BP exp) ----(MP exp) CS[Se]CBr 16.9Pred
C[Se]SCBr17710219.986C2H5BrSSe(bromomethyl)(methylselanyl)sulfaneN105C[Se]SCBrInChI=1S/C2H5BrSSe/c1-5-4-2-3/h2H2,1H3InChIKey=RDIXMLJFMCKWPI-UHFFFAOYSA-N203.9Ex 203.92(BP est) 16.87(MP est) ----(BP exp) ----(MP exp) C[Se]SCBr 16.9Pred
CS[Se]CC=C17712167.128C4H8SSe(allylselanyl)(methyl)sulfaneN146CS[Se]CC=CInChI=1S/C4H8SSe/c1-3-4-6-5-2/h3H,1,4H2,2H3InChIKey=IHSKRJIDJQVUMD-UHFFFAOYSA-N177.2Ex 177.15(BP est) -10.45(MP est) ----(BP exp) ----(MP exp) CS[Se]CC=C -10.5Pred
C[Se]SCC=C17713167.128C4H8SSeallyl(methylselanyl)sulfaneN146C[Se]SCC=CInChI=1S/C4H8SSe/c1-3-4-5-6-2/h3H,1,4H2,2H3InChIKey=XRZIJESAGNNCGP-UHFFFAOYSA-N177.2Ex 177.15(BP est) -10.45(MP est) ----(BP exp) ----(MP exp) C[Se]SCC=C -10.5Pred
CC=CS[Se]C17714167.128C4H8SSe(methylselanyl)(prop-1-en-1-yl)sulfaneN146CC=CS[Se]CInChI=1S/C4H8SSe/c1-3-4-5-6-2/h3-4H,1-2H3InChIKey=PKWUFFFGGWGNIG-UHFFFAOYSA-N185.1Ex 185.10(BP est) -9.79(MP est) ----(BP exp) ----(MP exp) CC=CS[Se]C -9.8Pred
CC=C[Se]SC17715167.128C4H8SSemethyl(prop-1-en-1-ylselanyl)sulfaneN146CC=C[Se]SCInChI=1S/C4H8SSe/c1-3-4-6-5-2/h3-4H,1-2H3InChIKey=ZFSULYBJVHRHKV-UHFFFAOYSA-N185.1Ex 185.10(BP est) -9.79(MP est) ----(BP exp) ----(MP exp) CC=C[Se]SC -9.8Pred
ClCS[Se]CCl17716209.974C2H4Cl2SSe(chloromethyl)((chloromethyl)selanyl)sulfaneN106ClCS[Se]CClInChI=1S/C2H4Cl2SSe/c3-1-5-6-2-4/h1-2H2InChIKey=TTYNLXZFWUBYRM-UHFFFAOYSA-N243.6Ex 243.63(BP est) 28.49(MP est) ----(BP exp) ----(MP exp) ClCS[Se]CCl 28.5Pred
CS[Se]C(Cl)Cl17718209.974C2H4Cl2SSe((dichloromethyl)selanyl)(methyl)sulfaneN106CS[Se]C(Cl)ClInChI=1S/C2H4Cl2SSe/c1-5-6-2(3)4/h2H,1H3InChIKey=SOUNGERQQYQDAA-UHFFFAOYSA-N212.1Ex 212.13(BP est) 11.79(MP est) ----(BP exp) ----(MP exp) CS[Se]C(Cl)Cl 11.8Pred
C[Se]SC(Cl)Cl17719209.974C2H4Cl2SSe(dichloromethyl)(methylselanyl)sulfaneN106C[Se]SC(Cl)ClInChI=1S/C2H4Cl2SSe/c1-6-5-2(3)4/h2H,1H3InChIKey=FSTDQSADEXXIPO-UHFFFAOYSA-N212.1Ex 212.13(BP est) 11.79(MP est) ----(BP exp) ----(MP exp) C[Se]SC(Cl)Cl 11.8Pred
CS[Se][Se]CCl17720254.492C2H5ClSSe2((chloromethyl)diselaneyl)(methyl)sulfaneN116CS[Se][Se]CClInChI=1S/C2H5ClSSe2/c1-4-6-5-2-3/h2H2,1H3InChIKey=TWKLJUIMRRGGEG-UHFFFAOYSA-N263.1Ex 263.07(BP est) 57.78(MP est) ----(BP exp) ----(MP exp) CS[Se][Se]CCl 57.8Pred
CSS[Se]CCl17721207.592C2H5ClS2Se1-((chloromethyl)selanyl)-2-methyldisulfaneN116CSS[Se]CClInChI=1S/C2H5ClS2Se/c1-4-5-6-2-3/h2H2,1H3InChIKey=UVAXLVFQYCRJRZ-UHFFFAOYSA-N247.0Ex 246.96(BP est) 31.70(MP est) ----(BP exp) ----(MP exp) CSS[Se]CCl 31.7Pred
CS[Se]SCCl17723207.592C2H5ClS2Se(chloromethyl)((methylthio)selanyl)sulfaneN116CS[Se]SCClInChI=1S/C2H5ClS2Se/c1-4-6-5-2-3/h2H2,1H3InChIKey=WFCVOCIJCNOWIK-UHFFFAOYSA-N247.0Ex 246.96(BP est) 31.70(MP est) ----(BP exp) ----(MP exp) CS[Se]SCCl 31.7Pred
C[Se]SSCCl17724207.592C2H5ClS2Se1-(chloromethyl)-2-(methylselanyl)disulfaneN116C[Se]SSCClInChI=1S/C2H5ClS2Se/c1-6-5-4-2-3/h2H2,1H3InChIKey=NLYSSURTVVPPHI-UHFFFAOYSA-N247.0Ex 246.96(BP est) 31.70(MP est) ----(BP exp) ----(MP exp) C[Se]SSCCl 31.7Pred
C[Se][Se]SCCl17725254.492C2H5ClSSe2(chloromethyl)(methyldiselaneyl)sulfaneN116C[Se][Se]SCClInChI=1S/C2H5ClSSe2/c1-5-6-4-2-3/h2H2,1H3InChIKey=RBXNHNARIZPWME-UHFFFAOYSA-N263.1Ex 263.07(BP est) 57.78(MP est) ----(BP exp) ----(MP exp) C[Se][Se]SCCl 57.8Pred
[Se]1[Se]CS[Se]C117726296.994C2H4SSe31,2,4,5-thiatriselenaneN106[Se]1[Se]CS[Se]C1InChI=1S/C2H4SSe3/c1-3-4-2-6-5-1/h1-2H2InChIKey=JKUWGZRKOGQDOI-UHFFFAOYSA-N286.9Ex 286.85(BP est) 96.31(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]CS[Se]C1 96.3Pred
S1SC[Se][Se]C117730250.094C2H4S2Se21,2,4,5-dithiadiselenaneN106S1SC[Se][Se]C1InChI=1S/C2H4S2Se2/c1-3-4-2-6-5-1/h1-2H2InChIKey=AVGUMZAVBKZKJV-UHFFFAOYSA-N271.7Ex 271.71(BP est) 84.42(MP est) ----(BP exp) ----(MP exp) S1SC[Se][Se]C1 84.4Pred
[Se]1[Se][Se]CSC117731296.994C2H4SSe31,3,4,5-thiatriselenaneN106[Se]1[Se][Se]CSC1InChI=1S/C2H4SSe3/c1-3-2-5-6-4-1/h1-2H2InChIKey=JHUUYRVRCKKGCJ-UHFFFAOYSA-N286.9Ex 286.85(BP est) 96.31(MP est) ----(BP exp) ----(MP exp) [Se]1[Se][Se]CSC1 96.3Pred
[Se]1[Se]SC[Se]C117732296.994C2H4SSe31,2,3,5-thiatriselenaneN106[Se]1[Se]SC[Se]C1InChI=1S/C2H4SSe3/c1-3-6-5-2-4-1/h1-2H2InChIKey=ZQBFYWJLFJNLBH-UHFFFAOYSA-N286.9Ex 286.85(BP est) 96.31(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]SC[Se]C1 96.3Pred
[Se]1S[Se]C[Se]C117733296.994C2H4SSe31,2,4,6-thiatriselenaneN106[Se]1S[Se]C[Se]C1InChI=1S/C2H4SSe3/c1-4-2-6-3-5-1/h1-2H2InChIKey=PVDJZIAFZDWJAE-UHFFFAOYSA-N286.9Ex 286.85(BP est) 96.31(MP est) ----(BP exp) ----(MP exp) [Se]1S[Se]C[Se]C1 96.3Pred
S1SSC[Se]C117734203.194C2H4S3Se1,2,3,5-trithiaselenaneN106S1SSC[Se]C1InChI=1S/C2H4S3Se/c1-3-5-4-2-6-1/h1-2H2InChIKey=MXKYBBNNRGOTLD-UHFFFAOYSA-N255.7Ex 255.74(BP est) 72.16(MP est) ----(BP exp) ----(MP exp) S1SSC[Se]C1 72.2Pred
S1S[Se]CSC117735203.194C2H4S3Se1,2,5,3-trithiaselenaneN106S1S[Se]CSC1InChI=1S/C2H4S3Se/c1-3-2-6-5-4-1/h1-2H2InChIKey=NLLBBUCRMORSBC-UHFFFAOYSA-N255.7Ex 255.74(BP est) 72.16(MP est) ----(BP exp) ----(MP exp) S1S[Se]CSC1 72.2Pred
S1[Se]SCSC117736203.194C2H4S3Se1,3,5,2-trithiaselenaneN106S1[Se]SCSC1InChI=1S/C2H4S3Se/c1-3-2-5-6-4-1/h1-2H2InChIKey=WSBVTGDDAGLUKU-UHFFFAOYSA-N255.7Ex 255.74(BP est) 72.16(MP est) ----(BP exp) ----(MP exp) S1[Se]SCSC1 72.2Pred
ClCS[Se]CF17737193.522C2H4ClFSSe(chloromethyl)((fluoromethyl)selanyl)sulfaneN106ClCS[Se]CFInChI=1S/C2H4ClFSSe/c3-1-5-6-2-4/h1-2H2InChIKey=OFEYZRHWUMPUEE-UHFFFAOYSA-N194.6Ex 194.63(BP est) -0.48(MP est) ----(BP exp) ----(MP exp) ClCS[Se]CF -0.5Pred
ClC[Se]SCF17738193.522C2H4ClFSSe((chloromethyl)selanyl)(fluoromethyl)sulfaneN106ClC[Se]SCFInChI=1S/C2H4ClFSSe/c3-1-6-5-2-4/h1-2H2InChIKey=SYMQAYAVUUYFPY-UHFFFAOYSA-N194.6Ex 194.63(BP est) -0.48(MP est) ----(BP exp) ----(MP exp) ClC[Se]SCF -0.5Pred
CS[Se]C(Cl)F17739193.522C2H4ClFSSe((chlorofluoromethyl)selanyl)(methyl)sulfaneN106CS[Se]C(Cl)FInChI=1S/C2H4ClFSSe/c1-5-6-2(3)4/h2H,1H3InChIKey=PTOSMWXIGCXNSF-UHFFFAOYSA-N170.9Ex 170.89(BP est) -14.92(MP est) ----(BP exp) ----(MP exp) CS[Se]C(Cl)F -14.9Pred
C[Se]SC(Cl)F17740193.522C2H4ClFSSe(chlorofluoromethyl)(methylselanyl)sulfaneN106C[Se]SC(Cl)FInChI=1S/C2H4ClFSSe/c1-6-5-2(3)4/h2H,1H3InChIKey=RSYBQPQHLJHVGK-UHFFFAOYSA-N170.9Ex 170.89(BP est) -14.92(MP est) ----(BP exp) ----(MP exp) C[Se]SC(Cl)F -14.9Pred
CS[Se][Se]CF17741238.04C2H5FSSe2((fluoromethyl)diselaneyl)(methyl)sulfaneN116CS[Se][Se]CFInChI=1S/C2H5FSSe2/c1-4-6-5-2-3/h2H2,1H3InChIKey=SXPRQNUUOHYXJN-UHFFFAOYSA-N216.7Ex 216.69(BP est) 29.95(MP est) ----(BP exp) ----(MP exp) CS[Se][Se]CF 30Pred
C[Se]S[Se]CF17742238.04C2H5FSSe21-(fluoromethyl)-3-methyldiselenathianeN116C[Se]S[Se]CFInChI=1S/C2H5FSSe2/c1-5-4-6-2-3/h2H2,1H3InChIKey=AUQMJPBKOKBOBS-UHFFFAOYSA-N216.7Ex 216.69(BP est) 29.95(MP est) ----(BP exp) ----(MP exp) C[Se]S[Se]CF 30Pred
C[Se][Se]SCF17743238.04C2H5FSSe2(fluoromethyl)(methyldiselaneyl)sulfaneN116C[Se][Se]SCFInChI=1S/C2H5FSSe2/c1-5-6-4-2-3/h2H2,1H3InChIKey=OOBMYOIZYANDLY-UHFFFAOYSA-N216.7Ex 216.69(BP est) 29.95(MP est) ----(BP exp) ----(MP exp) C[Se][Se]SCF 30Pred
CSS[Se]CF17744191.14C2H5FS2Se1-((fluoromethyl)selanyl)-2-methyldisulfaneN116CSS[Se]CFInChI=1S/C2H5FS2Se/c1-4-5-6-2-3/h2H2,1H3InChIKey=PKCNEAYNHVXESO-UHFFFAOYSA-N198.4Ex 198.40(BP est) 2.86(MP est) ----(BP exp) ----(MP exp) CSS[Se]CF 2.9Pred
C[Se]SSCF17745191.14C2H5FS2Se1-(fluoromethyl)-2-(methylselanyl)disulfaneN116C[Se]SSCFInChI=1S/C2H5FS2Se/c1-6-5-4-2-3/h2H2,1H3InChIKey=WNSWWFRVHWVNET-UHFFFAOYSA-N198.4Ex 198.40(BP est) 2.86(MP est) ----(BP exp) ----(MP exp) C[Se]SSCF 2.9Pred
CS[Se]SCF17746191.14C2H5FS2Se(fluoromethyl)((methylthio)selanyl)sulfaneN116CS[Se]SCFInChI=1S/C2H5FS2Se/c1-4-6-5-2-3/h2H2,1H3InChIKey=KHVQFONGJONNGL-UHFFFAOYSA-N198.4Ex 198.40(BP est) 2.86(MP est) ----(BP exp) ----(MP exp) CS[Se]SCF 2.9Pred
ClCS[Se]CC17747189.559C3H7ClSSe(chloromethyl)(ethylselanyl)sulfaneN136ClCS[Se]CCInChI=1S/C3H7ClSSe/c1-2-6-5-3-4/h2-3H2,1H3InChIKey=ARDHCACHRPQYCX-UHFFFAOYSA-N212.5Ex 212.45(BP est) 10.06(MP est) ----(BP exp) ----(MP exp) ClCS[Se]CC 10.1Pred
ClC[Se]SCC17748189.559C3H7ClSSe((chloromethyl)selanyl)(ethyl)sulfaneN136ClC[Se]SCCInChI=1S/C3H7ClSSe/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=YRXFPTMLJCBHGX-UHFFFAOYSA-N212.5Ex 212.45(BP est) 10.06(MP est) ----(BP exp) ----(MP exp) ClC[Se]SCC 10.1Pred
CS[Se]CCCl17749189.559C3H7ClSSe((2-chloroethyl)selanyl)(methyl)sulfaneN136CS[Se]CCClInChI=1S/C3H7ClSSe/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=VTWJJGQOQXKIEP-UHFFFAOYSA-N212.5Ex 212.45(BP est) 10.06(MP est) ----(BP exp) ----(MP exp) CS[Se]CCCl 10.1Pred
C[Se]SCCCl17750189.559C3H7ClSSe(2-chloroethyl)(methylselanyl)sulfaneN136C[Se]SCCClInChI=1S/C3H7ClSSe/c1-6-5-3-2-4/h2-3H2,1H3InChIKey=IWXYQIVYOISKRE-UHFFFAOYSA-N212.5Ex 212.45(BP est) 10.06(MP est) ----(BP exp) ----(MP exp) C[Se]SCCCl 10.1Pred
CS[Se]C(Cl)C17751189.559C3H7ClSSe((1-chloroethyl)selanyl)(methyl)sulfaneN136CS[Se]C(Cl)CInChI=1S/C3H7ClSSe/c1-3(4)6-5-2/h3H,1-2H3InChIKey=AFZQMWKERVDOKW-UHFFFAOYSA-N189.6Ex 189.64(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) CS[Se]C(Cl)C -4.1Pred
C[Se]SC(Cl)C17752189.559C3H7ClSSe(1-chloroethyl)(methylselanyl)sulfaneN136C[Se]SC(Cl)CInChI=1S/C3H7ClSSe/c1-3(4)5-6-2/h3H,1-2H3InChIKey=SSMUNBXFGPXCID-UHFFFAOYSA-N189.6Ex 189.64(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) C[Se]SC(Cl)C -4.1Pred
CSC(Cl)[Se]C17753189.559C3H7ClSSe(chloro(methylselanyl)methyl)(methyl)sulfaneN136CSC(Cl)[Se]CInChI=1S/C3H7ClSSe/c1-5-3(4)6-2/h3H,1-2H3InChIKey=PQRMNLLXYFNVHW-UHFFFAOYSA-N189.6Ex 189.64(BP est) -4.10(MP est) ----(BP exp) ----(MP exp) CSC(Cl)[Se]C -4.1Pred
CSC[Se]CCl17754189.559C3H7ClSSe(((chloromethyl)selanyl)methyl)(methyl)sulfaneN136CSC[Se]CClInChI=1S/C3H7ClSSe/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=WBGKMESZSZJEIT-UHFFFAOYSA-N212.5Ex 212.45(BP est) 10.06(MP est) ----(BP exp) ----(MP exp) CSC[Se]CCl 10.1Pred
C[Se]CSCCl17755189.559C3H7ClSSe(chloromethyl)((methylselanyl)methyl)sulfaneN136C[Se]CSCClInChI=1S/C3H7ClSSe/c1-6-3-5-2-4/h2-3H2,1H3InChIKey=NHZBLZPUHYDSQL-UHFFFAOYSA-N212.5Ex 212.45(BP est) 10.06(MP est) ----(BP exp) ----(MP exp) C[Se]CSCCl 10.1Pred
[SeH]CC(CS)[SeH]17758234.077C3H8SSe22,3-dihydroselenopropane-1-thiolN146[Se]([H])CC(CS)[Se]([H])InChI=1S/C3H8SSe2/c4-1-3(6)2-5/h3-6H,1-2H2InChIKey=WZLVOMKJZQNRQZ-UHFFFAOYSA-N236.9Ex 236.91(BP est) 47.98(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(CS)[Se]([H]) 48Pred
[SeH]CC(C[SeH])S17759234.077C3H8SSe21,3-dihydroselenopropane-2-thiolN146[Se]([H])CC(C[Se]([H]))SInChI=1S/C3H8SSe2/c4-3(1-5)2-6/h3-6H,1-2H2InChIKey=ODYSQOAZQNLOJF-UHFFFAOYSA-N236.9Ex 236.91(BP est) 47.98(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(C[Se]([H]))S 48Pred
[SeH]CC(CS)S17760187.177C3H8S2Se3-hydroselenopropane-1,2-dithiolN146[Se]([H])CC(CS)SInChI=1S/C3H8S2Se/c4-1-3(5)2-6/h3-6H,1-2H2InChIKey=LGDMYDARHMHCRJ-UHFFFAOYSA-N229.1Ex 229.06(BP est) 19.89(MP est) ----(BP exp) ----(MP exp) [Se]([H])CC(CS)S 19.9Pred
CSC[Se][Se]C17761234.077C3H8SSe2methyl((methyldiselaneyl)methyl)sulfaneN146CSC[Se][Se]CInChI=1S/C3H8SSe2/c1-4-3-6-5-2/h3H2,1-2H3InChIKey=XAEXPXUYNUNVLG-UHFFFAOYSA-N233.6Ex 233.59(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) CSC[Se][Se]C 40.1Pred
C[Se]CS[Se]C17762234.077C3H8SSe2(methylselanyl)((methylselanyl)methyl)sulfaneN146C[Se]CS[Se]CInChI=1S/C3H8SSe2/c1-5-3-4-6-2/h3H2,1-2H3InChIKey=AHAWBAKVJQXWCC-UHFFFAOYSA-N233.6Ex 233.59(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) C[Se]CS[Se]C 40.1Pred
C[Se]C[Se]SC17763234.077C3H8SSe2methyl(((methylselanyl)methyl)selanyl)sulfaneN146C[Se]C[Se]SCInChI=1S/C3H8SSe2/c1-4-6-3-5-2/h3H2,1-2H3InChIKey=FCHJPFCNORVXOD-UHFFFAOYSA-N233.6Ex 233.59(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) C[Se]C[Se]SC 40.1Pred
CSC[Se]SC17764187.177C3H8S2Semethyl(((methylthio)methyl)selanyl)sulfaneN146CSC[Se]SCInChI=1S/C3H8S2Se/c1-4-3-6-5-2/h3H2,1-2H3InChIKey=WQCAFCBALCGBAP-UHFFFAOYSA-N216.1Ex 216.06(BP est) 13.35(MP est) ----(BP exp) ----(MP exp) CSC[Se]SC 13.4Pred
CS[Se][Se]CC17765234.077C3H8SSe2(ethyldiselaneyl)(methyl)sulfaneN146CS[Se][Se]CCInChI=1S/C3H8SSe2/c1-3-5-6-4-2/h3H2,1-2H3InChIKey=QEIZLWDYWWKFDI-UHFFFAOYSA-N233.6Ex 233.59(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) CS[Se][Se]CC 40.1Pred
C[Se]S[Se]CC17766234.077C3H8SSe21-ethyl-3-methyldiselenathianeN146C[Se]S[Se]CCInChI=1S/C3H8SSe2/c1-3-6-4-5-2/h3H2,1-2H3InChIKey=BOZOKSUSRGYCAN-UHFFFAOYSA-N233.6Ex 233.59(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) C[Se]S[Se]CC 40.1Pred
C[Se][Se]SCC17767234.077C3H8SSe2ethyl(methyldiselaneyl)sulfaneN146C[Se][Se]SCCInChI=1S/C3H8SSe2/c1-3-4-6-5-2/h3H2,1-2H3InChIKey=BNTCPMOFIDEPLG-UHFFFAOYSA-N233.6Ex 233.59(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) C[Se][Se]SCC 40.1Pred
CSS[Se]CC17768187.177C3H8S2Se1-(ethylselanyl)-2-methyldisulfaneN146CSS[Se]CCInChI=1S/C3H8S2Se/c1-3-6-5-4-2/h3H2,1-2H3InChIKey=MHTFEGOTCKTJFL-UHFFFAOYSA-N216.1Ex 216.06(BP est) 13.35(MP est) ----(BP exp) ----(MP exp) CSS[Se]CC 13.4Pred
CS[Se]SCC17769187.177C3H8S2Seethyl((methylthio)selanyl)sulfaneN146CS[Se]SCCInChI=1S/C3H8S2Se/c1-3-5-6-4-2/h3H2,1-2H3InChIKey=RQIOKKBICKMJGK-UHFFFAOYSA-N216.1Ex 216.06(BP est) 13.35(MP est) ----(BP exp) ----(MP exp) CS[Se]SCC 13.4Pred
C[Se]SSCC17770187.177C3H8S2Se1-ethyl-2-(methylselanyl)disulfaneN146C[Se]SSCCInChI=1S/C3H8S2Se/c1-3-4-5-6-2/h3H2,1-2H3InChIKey=HWPWLNGUVROFEB-UHFFFAOYSA-N216.1Ex 216.06(BP est) 13.35(MP est) ----(BP exp) ----(MP exp) C[Se]SSCC 13.4Pred
O=[Se]1SC[Se]C117771234.033C2H4OSSe21,2,4-thiadiselenolane 2-oxideN106O=[Se]1SC[Se]C1InChI=1S/C2H4OSSe2/c3-6-2-5-1-4-6/h1-2H2InChIKey=BEEZMIMTFZXKIS-UHFFFAOYSA-N213.2Ex 213.22(BP est) 40.84(MP est) ----(BP exp) ----(MP exp) O=[Se]1SC[Se]C1 40.8Pred
O=S1[Se]C[Se]C117772234.033C2H4OSSe21,2,4-thiadiselenolane 1-oxideN106O=S1[Se]C[Se]C1InChI=1S/C2H4OSSe2/c3-4-1-5-2-6-4/h1-2H2InChIKey=KUNVKDYUSSRQES-UHFFFAOYSA-N282.6Ex 282.62(BP est) 77.23(MP est) ----(BP exp) ----(MP exp) O=S1[Se]C[Se]C1 77.2Pred
O=S1SC[Se]C117773187.133C2H4OS2Se1,2,4-dithiaselenolane 1-oxideN106O=S1SC[Se]C1InChI=1S/C2H4OS2Se/c3-5-2-6-1-4-5/h1-2H2InChIKey=MJCJXEIOTWDHSN-UHFFFAOYSA-N267.3Ex 267.25(BP est) 65.23(MP est) ----(BP exp) ----(MP exp) O=S1SC[Se]C1 65.2Pred
O=S1[Se]CSC117774187.133C2H4OS2Se1,4,2-dithiaselenolane 1-oxideN106O=S1[Se]CSC1InChI=1S/C2H4OS2Se/c3-5-1-4-2-6-5/h1-2H2InChIKey=CDJNKQMUUBRHRD-UHFFFAOYSA-N267.3Ex 267.25(BP est) 65.23(MP est) ----(BP exp) ----(MP exp) O=S1[Se]CSC1 65.2Pred
CP(C)(SC)=[Se]17775187.099C3H9PSSeS-methyl dimethylphosphinoselenothioateN156CP(C)(SC)=[Se]InChI=1S/C3H9PSSe/c1-4(2,6)5-3/h1-3H3InChIKey=HOIHPBQEXVUCHQ-UHFFFAOYSA-N193.4Ex 193.37(BP est) -3.66(MP est) ----(BP exp) ----(MP exp) CP(C)(SC)=[Se] -3.7Pred
C[Se]C(SC)=[Se]17776232.061C3H6SSe2S,Se-dimethyl carbonodiselenothioateN126C[Se]C(SC)=[Se]InChI=1S/C3H6SSe2/c1-4-3(5)6-2/h1-2H3InChIKey=NCKGROSVYOGHEJ-UHFFFAOYSA-N233.1Ex 233.10(BP est) 39.86(MP est) ----(BP exp) ----(MP exp) C[Se]C(SC)=[Se] 39.9Pred
[Se]1CSC[Se]C117777232.061C3H6SSe21,3,5-thiadiselenaneN126[Se]1CSC[Se]C1InChI=1S/C3H6SSe2/c1-4-2-6-3-5-1/h1-3H2InChIKey=HNPMHOKYDHUXNS-UHFFFAOYSA-N241.6Ex 241.61(BP est) 54.69(MP est) ----(BP exp) ----(MP exp) [Se]1CSC[Se]C1 54.7Pred
[Se]1CSCSC117778185.161C3H6S2Se1,3,5-dithiaselenaneN126[Se]1CSCSC1InChI=1S/C3H6S2Se/c1-4-2-6-3-5-1/h1-3H2InChIKey=UFWXJCXTSBDHOF-UHFFFAOYSA-N224.1Ex 224.13(BP est) 41.77(MP est) ----(BP exp) ----(MP exp) [Se]1CSCSC1 41.8Pred
[Se]1[Se]CSCC117779232.061C3H6SSe21,3,4-thiadiselenaneN126[Se]1[Se]CSCC1InChI=1S/C3H6SSe2/c1-2-5-6-3-4-1/h1-3H2InChIKey=QEVUCZPOGNFLAL-UHFFFAOYSA-N241.6Ex 241.61(BP est) 54.69(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]CSCC1 54.7Pred
[Se]1SC[Se]CC117780232.061C3H6SSe21,2,5-thiadiselenaneN126[Se]1SC[Se]CC1InChI=1S/C3H6SSe2/c1-2-6-4-3-5-1/h1-3H2InChIKey=JJUQWEHXYLECHA-UHFFFAOYSA-N241.6Ex 241.61(BP est) 54.69(MP est) ----(BP exp) ----(MP exp) [Se]1SC[Se]CC1 54.7Pred
S1[Se]C[Se]CC117781232.061C3H6SSe21,2,4-thiadiselenaneN126S1[Se]C[Se]CC1InChI=1S/C3H6SSe2/c1-2-5-3-6-4-1/h1-3H2InChIKey=FITXQQAOYXTPTD-UHFFFAOYSA-N241.6Ex 241.61(BP est) 54.69(MP est) ----(BP exp) ----(MP exp) S1[Se]C[Se]CC1 54.7Pred
S1[Se]CSCC117782185.161C3H6S2Se1,4,2-dithiaselenaneN126S1[Se]CSCC1InChI=1S/C3H6S2Se/c1-2-5-6-3-4-1/h1-3H2InChIKey=RENAIZAIHIEAEF-UHFFFAOYSA-N224.1Ex 224.13(BP est) 41.77(MP est) ----(BP exp) ----(MP exp) S1[Se]CSCC1 41.8Pred
S1SC[Se]CC117783185.161C3H6S2Se1,2,4-dithiaselenaneN126S1SC[Se]CC1InChI=1S/C3H6S2Se/c1-2-6-3-5-4-1/h1-3H2InChIKey=YSNZQVMZUXPCFG-UHFFFAOYSA-N224.1Ex 224.13(BP est) 41.77(MP est) ----(BP exp) ----(MP exp) S1SC[Se]CC1 41.8Pred
[Se]1[Se]SCCC117784232.061C3H6SSe21,2,3-thiadiselenaneN126[Se]1[Se]SCCC1InChI=1S/C3H6SSe2/c1-2-4-6-5-3-1/h1-3H2InChIKey=CQRIHABFYNARPM-UHFFFAOYSA-N241.6Ex 241.61(BP est) 54.69(MP est) ----(BP exp) ----(MP exp) [Se]1[Se]SCCC1 54.7Pred
[Se]1S[Se]CCC117785232.061C3H6SSe21,2,6-thiadiselenaneN126[Se]1S[Se]CCC1InChI=1S/C3H6SSe2/c1-2-5-4-6-3-1/h1-3H2InChIKey=GJQHQYYQVCVYRM-UHFFFAOYSA-N241.6Ex 241.61(BP est) 54.69(MP est) ----(BP exp) ----(MP exp) [Se]1S[Se]CCC1 54.7Pred
[Se]1SSCCC117786185.161C3H6S2Se1,2,3-dithiaselenaneN126[Se]1SSCCC1InChI=1S/C3H6S2Se/c1-2-4-5-6-3-1/h1-3H2InChIKey=DCCGHCBZSGSEIL-UHFFFAOYSA-N224.1Ex 224.13(BP est) 41.77(MP est) ----(BP exp) ----(MP exp) [Se]1SSCCC1 41.8Pred
S1C=CC[Se][Se]117787230.045C3H4SSe24H-1,2,3-thiadiselenineN106S1C=CC[Se][Se]1InChI=1S/C3H4SSe2/c1-2-4-6-5-3-1/h1-2H,3H2InChIKey=UXYXKWUCKYRKQS-UHFFFAOYSA-N244.0Ex 243.95(BP est) 55.91(MP est) ----(BP exp) ----(MP exp) S1C=CC[Se][Se]1 55.9Pred
[Se]1C=CC[Se]S117788230.045C3H4SSe23H-1,2,6-thiadiselenineN106[Se]1C=CC[Se]S1InChI=1S/C3H4SSe2/c1-2-5-4-6-3-1/h1-2H,3H2InChIKey=BVHXDDYPPIBDEO-UHFFFAOYSA-N244.0Ex 243.95(BP est) 55.91(MP est) ----(BP exp) ----(MP exp) [Se]1C=CC[Se]S1 55.9Pred
[Se]1C=CCS[Se]117789230.045C3H4SSe26H-1,2,3-thiadiselenineN106[Se]1C=CCS[Se]1InChI=1S/C3H4SSe2/c1-2-4-6-5-3-1/h1,3H,2H2InChIKey=ZTXOELYKINCOAD-UHFFFAOYSA-N244.0Ex 243.95(BP est) 55.91(MP est) ----(BP exp) ----(MP exp) [Se]1C=CCS[Se]1 55.9Pred
S1C=CCS[Se]117790183.145C3H4S2Se4H-1,3,2-dithiaselenineN106S1C=CCS[Se]1InChI=1S/C3H4S2Se/c1-2-4-6-5-3-1/h1-2H,3H2InChIKey=GWWRYGCMNKEMPS-UHFFFAOYSA-N226.6Ex 226.59(BP est) 43.04(MP est) ----(BP exp) ----(MP exp) S1C=CCS[Se]1 43Pred
[Se]=C1[Se]CCS117791230.045C3H4SSe21,3-thiaselenolane-2-selenoneN106[Se]=C1[Se]CCS1InChI=1S/C3H4SSe2/c5-3-4-1-2-6-3/h1-2H2InChIKey=ZRSDQAFWGCWDJD-UHFFFAOYSA-N242.9Ex 242.90(BP est) 62.57(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]CCS1 62.6Pred
[Se]=C1S[Se]CC117792230.045C3H4SSe21,2-thiaselenolane-5-selenoneN106[Se]=C1S[Se]CC1InChI=1S/C3H4SSe2/c5-3-1-2-6-4-3/h1-2H2InChIKey=VFMISRDUSGJBJM-UHFFFAOYSA-N242.9Ex 242.90(BP est) 62.57(MP est) ----(BP exp) ----(MP exp) [Se]=C1S[Se]CC1 62.6Pred
[Se]=C1[Se]SCC117793230.045C3H4SSe21,2-thiaselenolane-3-selenoneN106[Se]=C1[Se]SCC1InChI=1S/C3H4SSe2/c5-3-1-2-4-6-3/h1-2H2InChIKey=HLHSPUQAVMZXSD-UHFFFAOYSA-N242.9Ex 242.90(BP est) 62.57(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]SCC1 62.6Pred
[Se]=C1N=C[Se]S117794229.017C2HNSSe25H-1,2,4-thiaselenazole-5-selenoneN76[Se]=C1N=C[Se]S1InChI=1S/C2HNSSe2/c5-2-3-1-6-4-2/h1HInChIKey=GMOUVCASCWIUAZ-UHFFFAOYSA-N256.4Ex 256.41(BP est) 83.75(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=C[Se]S1 83.8Pred
[Se]=C1N=CS[Se]117795229.017C2HNSSe23H-1,2,4-thiaselenazole-3-selenoneN76[Se]=C1N=CS[Se]1InChI=1S/C2HNSSe2/c5-2-3-1-4-6-2/h1HInChIKey=QEGNNHVZOHBDAU-UHFFFAOYSA-N256.4Ex 256.41(BP est) 83.75(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=CS[Se]1 83.8Pred
[Se]=C1[Se]N=CS117796229.017C2HNSSe21,3,4-thiaselenazole-2-selenoneN76[Se]=C1[Se]N=CS1InChI=1S/C2HNSSe2/c5-2-4-1-3-6-2/h1HInChIKey=GAVWTZBUWDACLV-UHFFFAOYSA-N256.4Ex 256.41(BP est) 83.75(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]N=CS1 83.8Pred
[Se]=C1SN=C[Se]117797229.017C2HNSSe21,4,2-thiaselenazole-5-selenoneN76[Se]=C1SN=C[Se]1InChI=1S/C2HNSSe2/c5-2-4-3-1-6-2/h1HInChIKey=UCHKMWKUEWCQCS-UHFFFAOYSA-N256.4Ex 256.41(BP est) 83.75(MP est) ----(BP exp) ----(MP exp) [Se]=C1SN=C[Se]1 83.8Pred
[Se]=C1S[Se]C=C117798228.029C3H2SSe25H-1,2-thiaselenole-5-selenoneN86[Se]=C1S[Se]C=C1InChI=1S/C3H2SSe2/c5-3-1-2-6-4-3/h1-2HInChIKey=XJGLZAVMYWDROB-UHFFFAOYSA-N245.2Ex 245.24(BP est) 63.79(MP est) ----(BP exp) ----(MP exp) [Se]=C1S[Se]C=C1 63.8Pred
[Se]=C1[Se]SC=C117799228.029C3H2SSe23H-1,2-thiaselenole-3-selenoneN86[Se]=C1[Se]SC=C1InChI=1S/C3H2SSe2/c5-3-1-2-4-6-3/h1-2HInChIKey=CXKHOABCKZPHGO-UHFFFAOYSA-N245.2Ex 245.24(BP est) 63.79(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]SC=C1 63.8Pred
[Se]=C1[Se]C=CS117800228.029C3H2SSe21,3-thiaselenole-2-selenoneN86[Se]=C1[Se]C=CS1InChI=1S/C3H2SSe2/c5-3-4-1-2-6-3/h1-2HInChIKey=YVJVQXFYNMDMPR-UHFFFAOYSA-N245.2Ex 245.24(BP est) 63.79(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]C=CS1 63.8Pred
FCS[Se]CF17801177.071C2H4F2SSe(fluoromethyl)((fluoromethyl)selanyl)sulfaneN106FCS[Se]CFInChI=1S/C2H4F2SSe/c3-1-5-6-2-4/h1-2H2InChIKey=FELMOHYXQKBVAQ-UHFFFAOYSA-N139.6Ex 139.62(BP est) -31.21(MP est) ----(BP exp) ----(MP exp) FCS[Se]CF -31.2Pred
CS[Se]C(F)F17802177.071C2H4F2SSe((difluoromethyl)selanyl)(methyl)sulfaneN106CS[Se]C(F)FInChI=1S/C2H4F2SSe/c1-5-6-2(3)4/h2H,1H3InChIKey=FDKJATRNVDBCPB-UHFFFAOYSA-N125.9Ex 125.90(BP est) -42.72(MP est) ----(BP exp) ----(MP exp) CS[Se]C(F)F -42.7Pred
C[Se]SC(F)F17803177.071C2H4F2SSe(difluoromethyl)(methylselanyl)sulfaneN106C[Se]SC(F)FInChI=1S/C2H4F2SSe/c1-6-5-2(3)4/h2H,1H3InChIKey=FHMZSJDGCAWIGA-UHFFFAOYSA-N125.9Ex 125.90(BP est) -42.72(MP est) ----(BP exp) ----(MP exp) C[Se]SC(F)F -42.7Pred
CS[Se]CCl17804175.532C2H5ClSSe((chloromethyl)selanyl)(methyl)sulfaneN105CS[Se]CClInChI=1S/C2H5ClSSe/c1-4-5-2-3/h2H2,1H3InChIKey=QTAFVTYNVQRIOX-UHFFFAOYSA-N192.7Ex 192.66(BP est) -1.36(MP est) ----(BP exp) ----(MP exp) CS[Se]CCl -1.4Pred
C[Se]SCCl17805175.532C2H5ClSSe(chloromethyl)(methylselanyl)sulfaneN105C[Se]SCClInChI=1S/C2H5ClSSe/c1-5-4-2-3/h2H2,1H3InChIKey=FIWDBLVJLKYIFE-UHFFFAOYSA-N192.7Ex 192.66(BP est) -1.36(MP est) ----(BP exp) ----(MP exp) C[Se]SCCl -1.4Pred
SC[Se]C[SeH]17806220.05C2H6SSe2((hydroselenomethyl)selanyl)methanethiolN115SC[Se]C[Se]([H])InChI=1S/C2H6SSe2/c3-1-5-2-4/h3-4H,1-2H2InChIKey=NTYNEFJSTUEQPL-UHFFFAOYSA-N227.9Ex 227.91(BP est) 40.27(MP est) ----(BP exp) ----(MP exp) SC[Se]C[Se]([H]) 40.3Pred
[SeH]CSC[SeH]17807220.05C2H6SSe2thiodimethaneselenolN115[Se]([H])CSC[Se]([H])InChI=1S/C2H6SSe2/c4-1-3-2-5/h4-5H,1-2H2InChIKey=GDDNWHAZDWTNQP-UHFFFAOYSA-N218.4Ex 218.35(BP est) 34.44(MP est) ----(BP exp) ----(MP exp) [Se]([H])CSC[Se]([H]) 34.4Pred
SCSC[SeH]17808173.15C2H6S2Se((hydroselenomethyl)thio)methanethiolN115SCSC[Se]([H])InChI=1S/C2H6S2Se/c3-1-4-2-5/h3,5H,1-2H2InChIKey=PNNBSNVNEONUCB-UHFFFAOYSA-N210.1Ex 210.12(BP est) 15.20(MP est) ----(BP exp) ----(MP exp) SCSC[Se]([H]) 15.2Pred
SC[Se]CS17809173.15C2H6S2SeselenodimethanethiolN115SC[Se]CSInChI=1S/C2H6S2Se/c3-1-5-2-4/h3-4H,1-2H2InChIKey=SVSZYUBKAVTHEK-UHFFFAOYSA-N219.9Ex 219.87(BP est) 10.89(MP est) ----(BP exp) ----(MP exp) SC[Se]CS 10.9Pred
CS[Se]C[SeH]17815220.05C2H6SSe2((methylthio)selanyl)methaneselenolN115CS[Se]C[Se]([H])InChI=1S/C2H6SSe2/c1-3-5-2-4/h4H,2H2,1H3InChIKey=VMFVGXZCHSOJFG-UHFFFAOYSA-N216.6Ex 216.58(BP est) 35.17(MP est) ----(BP exp) ----(MP exp) CS[Se]C[Se]([H]) 35.2Pred
C[Se]SC[SeH]17816220.05C2H6SSe2((methylselanyl)thio)methaneselenolN115C[Se]SC[Se]([H])InChI=1S/C2H6SSe2/c1-5-3-2-4/h4H,2H2,1H3InChIKey=XCOXHGFELBNBNR-UHFFFAOYSA-N216.6Ex 216.58(BP est) 35.17(MP est) ----(BP exp) ----(MP exp) C[Se]SC[Se]([H]) 35.2Pred
C[Se][Se]CS17817220.05C2H6SSe2(methyldiselaneyl)methanethiolN115C[Se][Se]CSInChI=1S/C2H6SSe2/c1-4-5-2-3/h3H,2H2,1H3InChIKey=FWYAHWQCHRHCQN-UHFFFAOYSA-N226.2Ex 226.18(BP est) 34.14(MP est) ----(BP exp) ----(MP exp) C[Se][Se]CS 34.1Pred
CSSC[SeH]17818173.15C2H6S2Se(methyldisulfaneyl)methaneselenolN115CSSC[Se]([H])InChI=1S/C2H6S2Se/c1-3-4-2-5/h5H,2H2,1H3InChIKey=VKYVWAXZYGKZGW-UHFFFAOYSA-N198.3Ex 198.29(BP est) 10.72(MP est) ----(BP exp) ----(MP exp) CSSC[Se]([H]) 10.7Pred
FCS[Se]CC17821173.107C3H7FSSe(ethylselanyl)(fluoromethyl)sulfaneN136FCS[Se]CCInChI=1S/C3H7FSSe/c1-2-6-5-3-4/h2-3H2,1H3InChIKey=JGVQWKHDZZWWJJ-UHFFFAOYSA-N159.5Ex 159.53(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) FCS[Se]CC -20.1Pred
FC[Se]SCC17822173.107C3H7FSSeethyl((fluoromethyl)selanyl)sulfaneN136FC[Se]SCCInChI=1S/C3H7FSSe/c1-2-5-6-3-4/h2-3H2,1H3InChIKey=BRJGHXOIYNMWMU-UHFFFAOYSA-N159.5Ex 159.53(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) FC[Se]SCC -20.1Pred
CS[Se]CCF17823173.107C3H7FSSe((2-fluoroethyl)selanyl)(methyl)sulfaneN136CS[Se]CCFInChI=1S/C3H7FSSe/c1-5-6-3-2-4/h2-3H2,1H3InChIKey=VGQODGNHWOPJPE-UHFFFAOYSA-N159.5Ex 159.53(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) CS[Se]CCF -20.1Pred
C[Se]SCCF17824173.107C3H7FSSe(2-fluoroethyl)(methylselanyl)sulfaneN136C[Se]SCCFInChI=1S/C3H7FSSe/c1-6-5-3-2-4/h2-3H2,1H3InChIKey=BNRJKOLDJGNDTE-UHFFFAOYSA-N159.5Ex 159.53(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) C[Se]SCCF -20.1Pred
CS[Se]C(F)C17825173.107C3H7FSSe((1-fluoroethyl)selanyl)(methyl)sulfaneN136CS[Se]C(F)CInChI=1S/C3H7FSSe/c1-3(4)6-5-2/h3H,1-2H3InChIKey=PZPAJPQIPNNCHT-UHFFFAOYSA-N146.3Ex 146.31(BP est) -31.42(MP est) ----(BP exp) ----(MP exp) CS[Se]C(F)C -31.4Pred
C[Se]SC(F)C17826173.107C3H7FSSe(1-fluoroethyl)(methylselanyl)sulfaneN136C[Se]SC(F)CInChI=1S/C3H7FSSe/c1-3(4)5-6-2/h3H,1-2H3InChIKey=CKKIZJZMUFASAQ-UHFFFAOYSA-N146.3Ex 146.31(BP est) -31.42(MP est) ----(BP exp) ----(MP exp) C[Se]SC(F)C -31.4Pred
CSC(F)[Se]C17827173.107C3H7FSSe(fluoro(methylselanyl)methyl)(methyl)sulfaneN136CSC(F)[Se]CInChI=1S/C3H7FSSe/c1-5-3(4)6-2/h3H,1-2H3InChIKey=MYSBUAMFMAGRGI-UHFFFAOYSA-N146.3Ex 146.31(BP est) -31.42(MP est) ----(BP exp) ----(MP exp) CSC(F)[Se]C -31.4Pred
CSC[Se]CF17828173.107C3H7FSSe(((fluoromethyl)selanyl)methyl)(methyl)sulfaneN136CSC[Se]CFInChI=1S/C3H7FSSe/c1-5-3-6-2-4/h2-3H2,1H3InChIKey=MRINEHIFLKWUIG-UHFFFAOYSA-N159.5Ex 159.53(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) CSC[Se]CF -20.1Pred
C[Se]CSCF17829173.107C3H7FSSe(fluoromethyl)((methylselanyl)methyl)sulfaneN136C[Se]CSCFInChI=1S/C3H7FSSe/c1-6-3-5-2-4/h2-3H2,1H3InChIKey=YFRRVZIKGJYAMP-UHFFFAOYSA-N159.5Ex 159.53(BP est) -20.06(MP est) ----(BP exp) ----(MP exp) C[Se]CSCF -20.1Pred
S1C[Se][Se]C117830218.034C2H4SSe21,3,4-thiadiselenolaneN95S1C[Se][Se]C1InChI=1S/C2H4SSe2/c1-3-2-5-4-1/h1-2H2InChIKey=OATWMCGTZLBCDT-UHFFFAOYSA-N221.5Ex 221.50(BP est) 43.95(MP est) ----(BP exp) ----(MP exp) S1C[Se][Se]C1 44Pred
[Se]1C[Se]SC117831218.034C2H4SSe21,2,4-thiadiselenolaneN95[Se]1C[Se]SC1InChI=1S/C2H4SSe2/c1-3-5-2-4-1/h1-2H2InChIKey=YJOXABDWGIWOHM-UHFFFAOYSA-N221.5Ex 221.50(BP est) 43.95(MP est) ----(BP exp) ----(MP exp) [Se]1C[Se]SC1 44Pred
S1C[Se]SC117832171.134C2H4S2Se1,4,2-dithiaselenolaneN95S1C[Se]SC1InChI=1S/C2H4S2Se/c1-3-2-5-4-1/h1-2H2InChIKey=JNPVBZSHXGKCAN-UHFFFAOYSA-N203.1Ex 203.09(BP est) 30.62(MP est) ----(BP exp) ----(MP exp) S1C[Se]SC1 30.6Pred
[Se]1CSSC117833171.134C2H4S2Se1,2,4-dithiaselenolaneN95[Se]1CSSC1InChI=1S/C2H4S2Se/c1-3-4-2-5-1/h1-2H2InChIKey=UGOMNBVJWSHOIT-UHFFFAOYSA-N203.1Ex 203.09(BP est) 30.62(MP est) ----(BP exp) ----(MP exp) [Se]1CSSC1 30.6Pred
S1[Se][Se]CC117834218.034C2H4SSe21,2,3-thiadiselenolaneN95S1[Se][Se]CC1InChI=1S/C2H4SSe2/c1-2-4-5-3-1/h1-2H2InChIKey=KPRBWALLQWSQLO-UHFFFAOYSA-N221.5Ex 221.50(BP est) 43.95(MP est) ----(BP exp) ----(MP exp) S1[Se][Se]CC1 44Pred
[Se]1S[Se]CC117835218.034C2H4SSe21,2,5-thiadiselenolaneN95[Se]1S[Se]CC1InChI=1S/C2H4SSe2/c1-2-5-3-4-1/h1-2H2InChIKey=GOKDOYUGNRUZLZ-UHFFFAOYSA-N221.5Ex 221.50(BP est) 43.95(MP est) ----(BP exp) ----(MP exp) [Se]1S[Se]CC1 44Pred
S1S[Se]CC117836171.134C2H4S2Se1,2,3-dithiaselenolaneN95S1S[Se]CC1InChI=1S/C2H4S2Se/c1-2-5-4-3-1/h1-2H2InChIKey=DGNWXJBCQLSPAT-UHFFFAOYSA-N203.1Ex 203.09(BP est) 30.62(MP est) ----(BP exp) ----(MP exp) S1S[Se]CC1 30.6Pred
S1[Se]SCC117837171.134C2H4S2Se1,3,2-dithiaselenolaneN95S1[Se]SCC1InChI=1S/C2H4S2Se/c1-2-4-5-3-1/h1-2H2InChIKey=CBOZJYSTOFSMEJ-UHFFFAOYSA-N203.1Ex 203.09(BP est) 30.62(MP est) ----(BP exp) ----(MP exp) S1[Se]SCC1 30.6Pred
OCC(C[SeH])S17838171.116C3H8OSSe3-hydroseleno-2-mercaptopropan-1-olN146OCC(C[Se]([H]))SInChI=1S/C3H8OSSe/c4-1-3(5)2-6/h3-6H,1-2H2InChIKey=IQDZFKVNUGPQDQ-UHFFFAOYSA-N234.2Ex 234.20(BP est) 33.57(MP est) ----(BP exp) ----(MP exp) OCC(C[Se]([H]))S 33.6Pred
OCC(CS)[SeH]17839171.116C3H8OSSe2-hydroseleno-3-mercaptopropan-1-olN146OCC(CS)[Se]([H])InChI=1S/C3H8OSSe/c4-1-3(6)2-5/h3-6H,1-2H2InChIKey=LKHLQSWIXLWALP-UHFFFAOYSA-N234.2Ex 234.20(BP est) 33.57(MP est) ----(BP exp) ----(MP exp) OCC(CS)[Se]([H]) 33.6Pred
CSC[Se]CC17840169.144C4H10SSe((ethylselanyl)methyl)(methyl)sulfaneN166CSC[Se]CCInChI=1S/C4H10SSe/c1-3-6-4-5-2/h3-4H2,1-2H3InChIKey=GCGZSWQDHVPVDB-UHFFFAOYSA-N178.7Ex 178.72(BP est) -9.11(MP est) ----(BP exp) ----(MP exp) CSC[Se]CC -9.1Pred
C[Se]CSCC17841169.144C4H10SSeethyl((methylselanyl)methyl)sulfaneN166C[Se]CSCCInChI=1S/C4H10SSe/c1-3-5-4-6-2/h3-4H2,1-2H3InChIKey=RFMMBNRJGYBSKO-UHFFFAOYSA-N178.7Ex 178.72(BP est) -9.11(MP est) ----(BP exp) ----(MP exp) C[Se]CSCC -9.1Pred
C[Se]C(SC)C17842169.144C4H10SSemethyl(1-(methylselanyl)ethyl)sulfaneN166C[Se]C(SC)CInChI=1S/C4H10SSe/c1-4(5-2)6-3/h4H,1-3H3InChIKey=LBSWLSFTQSBOHZ-UHFFFAOYSA-N166.0Ex 165.98(BP est) -20.33(MP est) ----(BP exp) ----(MP exp) C[Se]C(SC)C -20.3Pred
SC(C)C(C)[SeH]17844169.144C4H10SSe3-hydroselenobutane-2-thiolN166SC(C)C(C)[Se]([H])InChI=1S/C4H10SSe/c1-3(5)4(2)6/h3-6H,1-2H3InChIKey=MZXITNOGOVPFDL-UHFFFAOYSA-N167.9Ex 167.89(BP est) -18.06(MP est) ----(BP exp) ----(MP exp) SC(C)C(C)[Se]([H]) -18.1Pred
[SeH]CCCCS17846169.144C4H10SSe4-hydroselenobutane-1-thiolN166[Se]([H])CCCCSInChI=1S/C4H10SSe/c5-3-1-2-4-6/h5-6H,1-4H2InChIKey=FVRPLRCBYODQCW-UHFFFAOYSA-N192.9Ex 192.94(BP est) 4.25(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCCS 4.3Pred
SC(CC)C[SeH]17847169.144C4H10SSe1-hydroselenobutane-2-thiolN166SC(CC)C[Se]([H])InChI=1S/C4H10SSe/c1-2-4(5)3-6/h4-6H,2-3H2,1H3InChIKey=OQPVEJNAPYDOAI-UHFFFAOYSA-N180.6Ex 180.58(BP est) -6.86(MP est) ----(BP exp) ----(MP exp) SC(CC)C[Se]([H]) -6.9Pred
[SeH]C(CC)CS17848169.144C4H10SSe2-hydroselenobutane-1-thiolN166[Se]([H])C(CC)CSInChI=1S/C4H10SSe/c1-2-4(6)3-5/h4-6H,2-3H2,1H3InChIKey=SNGBNSVJYWZXRH-UHFFFAOYSA-N180.6Ex 180.58(BP est) -6.86(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(CC)CS -6.9Pred
SCCC[Se]C17849169.144C4H10SSe3-(methylselanyl)propane-1-thiolN166SCCC[Se]CInChI=1S/C4H10SSe/c1-6-4-2-3-5/h5H,2-4H2,1H3InChIKey=KGCOTARGQPVNPF-UHFFFAOYSA-N191.1Ex 191.06(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) SCCC[Se]C -4.5Pred
[SeH]CCCSC17850169.144C4H10SSe3-(methylthio)propane-1-selenolN166[Se]([H])CCCSCInChI=1S/C4H10SSe/c1-5-3-2-4-6/h6H,2-4H2,1H3InChIKey=OKCVSBPIJIVDBS-UHFFFAOYSA-N180.6Ex 180.64(BP est) -0.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCSC -0.4Pred
CC(CS)([SeH])C17851169.144C4H10SSe2-hydroseleno-2-methylpropane-1-thiolN166CC(CS)([Se]([H]))CInChI=1S/C4H10SSe/c1-4(2,6)3-5/h5-6H,3H2,1-2H3InChIKey=QTRMHHPCXWHJPC-UHFFFAOYSA-N172.3Ex 172.28(BP est) -0.57(MP est) ----(BP exp) ----(MP exp) CC(CS)([Se]([H]))C -0.6Pred
CC(C[SeH])(S)C17852169.144C4H10SSe1-hydroseleno-2-methylpropane-2-thiolN166CC(C[Se]([H]))(S)CInChI=1S/C4H10SSe/c1-4(2,5)3-6/h5-6H,3H2,1-2H3InChIKey=GGXLRPDHDICDAH-UHFFFAOYSA-N172.3Ex 172.28(BP est) -0.57(MP est) ----(BP exp) ----(MP exp) CC(C[Se]([H]))(S)C -0.6Pred
SCC[Se]CC17853169.144C4H10SSe2-(ethylselanyl)ethane-1-thiolN166SCC[Se]CCInChI=1S/C4H10SSe/c1-2-6-4-3-5/h5H,2-4H2,1H3InChIKey=HQQTWCVCAWNEJU-UHFFFAOYSA-N191.1Ex 191.06(BP est) -4.48(MP est) ----(BP exp) ----(MP exp) SCC[Se]CC -4.5Pred
[SeH]CCSCC17854169.144C4H10SSe2-(ethylthio)ethane-1-selenolN166[Se]([H])CCSCCInChI=1S/C4H10SSe/c1-2-5-3-4-6/h6H,2-4H2,1H3InChIKey=QGXUWFSQBSTREY-UHFFFAOYSA-N180.6Ex 180.64(BP est) -0.37(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCSCC -0.4Pred
CS[Se]CCC17855169.144C4H10SSemethyl(propylselanyl)sulfaneN166CS[Se]CCCInChI=1S/C4H10SSe/c1-3-4-6-5-2/h3-4H2,1-2H3InChIKey=UHXXNUYGEDYXGD-UHFFFAOYSA-N178.7Ex 178.72(BP est) -9.11(MP est) ----(BP exp) ----(MP exp) CS[Se]CCC -9.1Pred
C[Se]SCCC17856169.144C4H10SSe(methylselanyl)(propyl)sulfaneN166C[Se]SCCCInChI=1S/C4H10SSe/c1-3-4-5-6-2/h3-4H2,1-2H3InChIKey=ADDWKUOGLUHKBY-UHFFFAOYSA-N178.7Ex 178.72(BP est) -9.11(MP est) ----(BP exp) ----(MP exp) C[Se]SCCC -9.1Pred
CS[Se]C(C)C17857169.144C4H10SSe(isopropylselanyl)(methyl)sulfaneN166CS[Se]C(C)CInChI=1S/C4H10SSe/c1-4(2)6-5-3/h4H,1-3H3InChIKey=XXPIICAUABAKOK-UHFFFAOYSA-N166.0Ex 165.98(BP est) -20.33(MP est) ----(BP exp) ----(MP exp) CS[Se]C(C)C -20.3Pred
C[Se]SC(C)C17858169.144C4H10SSeisopropyl(methylselanyl)sulfaneN166C[Se]SC(C)CInChI=1S/C4H10SSe/c1-4(2)5-6-3/h4H,1-3H3InChIKey=DIKXDLAIVDFYNV-UHFFFAOYSA-N166.0Ex 165.98(BP est) -20.33(MP est) ----(BP exp) ----(MP exp) C[Se]SC(C)C -20.3Pred
CC[Se]SCC17859169.144C4H10SSeethyl(ethylselanyl)sulfaneN166CC[Se]SCCInChI=1S/C4H10SSe/c1-3-5-6-4-2/h3-4H2,1-2H3InChIKey=GHRCQRRSIYNELQ-UHFFFAOYSA-N178.7Ex 178.72(BP est) -9.11(MP est) ----(BP exp) ----(MP exp) CC[Se]SCC -9.1Pred
C[Se]CCSC17860169.144C4H10SSemethyl(2-(methylselanyl)ethyl)sulfaneN166C[Se]CCSCInChI=1S/C4H10SSe/c1-5-3-4-6-2/h3-4H2,1-2H3InChIKey=BTBDUJKWLSZBTR-UHFFFAOYSA-N178.7Ex 178.72(BP est) -9.11(MP est) ----(BP exp) ----(MP exp) C[Se]CCSC -9.1Pred
[Se]=C1[Se]CS117861216.018C2H2SSe21,3-thiaselenetane-2-selenoneN75[Se]=C1[Se]CS1InChI=1S/C2H2SSe2/c4-2-3-1-5-2/h1H2InChIKey=BWQQXFHOOQYIOX-UHFFFAOYSA-N222.9Ex 222.87(BP est) 51.86(MP est) ----(BP exp) ----(MP exp) [Se]=C1[Se]CS1 51.9Pred
C1=C[Se][Se]S117862216.018C2H2SSe21,2,3-thiadiselenoleN75C1=C[Se][Se]S1InChI=1S/C2H2SSe2/c1-2-4-5-3-1/h1-2HInChIKey=JNIHPMXUHOKVPS-UHFFFAOYSA-N224.0Ex 223.98(BP est) 45.22(MP est) ----(BP exp) ----(MP exp) C1=C[Se][Se]S1 45.2Pred
C1=C[Se]S[Se]117863216.018C2H2SSe21,2,5-thiadiselenoleN75C1=C[Se]S[Se]1InChI=1S/C2H2SSe2/c1-2-5-3-4-1/h1-2HInChIKey=FXBJIPIMBHUEFE-UHFFFAOYSA-N224.0Ex 223.98(BP est) 45.22(MP est) ----(BP exp) ----(MP exp) C1=C[Se]S[Se]1 45.2Pred
C1=C[Se]SS117864169.118C2H2S2Se1,2,3-dithiaselenoleN75C1=C[Se]SS1InChI=1S/C2H2S2Se/c1-2-5-4-3-1/h1-2HInChIKey=LBUWGMSMGZCTEJ-UHFFFAOYSA-N205.7Ex 205.68(BP est) 31.94(MP est) ----(BP exp) ----(MP exp) C1=C[Se]SS1 31.9Pred
C1=CS[Se]S117865169.118C2H2S2Se1,3,2-dithiaselenoleN75C1=CS[Se]S1InChI=1S/C2H2S2Se/c1-2-4-5-3-1/h1-2HInChIKey=GTLZPSOUTOSPJN-UHFFFAOYSA-N205.7Ex 205.68(BP est) 31.94(MP est) ----(BP exp) ----(MP exp) C1=CS[Se]S1 31.9Pred
C[Se]C(SC)=O17866169.1C3H6OSSeS,Se-dimethyl carbonoselenothioateN126C[Se]C(SC)=OInChI=1S/C3H6OSSe/c1-5-3(4)6-2/h1-2H3InChIKey=YCAVGXVVUDPOTJ-UHFFFAOYSA-N198.2Ex 198.19(BP est) 15.90(MP est) ----(BP exp) ----(MP exp) C[Se]C(SC)=O 15.9Pred
[Se]=C(SC)OC17867169.1C3H6OSSeO,S-dimethyl carbonoselenothioateN126[Se]=C(SC)OCInChI=1S/C3H6OSSe/c1-4-3(6)5-2/h1-2H3InChIKey=CTXSHMYKYFLQSA-UHFFFAOYSA-N179.0Ex 178.97(BP est) -3.62(MP est) ----(BP exp) ----(MP exp) [Se]=C(SC)OC -3.6Pred
OC1C[Se]SC117868169.1C3H6OSSe1,2-thiaselenolan-4-olN126OC1C[Se]SC1InChI=1S/C3H6OSSe/c4-3-1-5-6-2-3/h3-4H,1-2H2InChIKey=XMWZLQBNPQEFAK-UHFFFAOYSA-N229.4Ex 229.41(BP est) 46.23(MP est) ----(BP exp) ----(MP exp) OC1C[Se]SC1 46.2Pred
C1NCSC[Se]117869168.116C3H7NSSe1,3,5-thiaselenazinaneN136C1NCSC[Se]1InChI=1S/C3H7NSSe/c1-4-2-6-3-5-1/h4H,1-3H2InChIKey=YSBGFFNCPHEPIJ-UHFFFAOYSA-N221.4Ex 221.41(BP est) 47.47(MP est) ----(BP exp) ----(MP exp) C1NCSC[Se]1 47.5Pred
NC1C[Se]SC117870168.116C3H7NSSe1,2-thiaselenolan-4-amineN136NC1C[Se]SC1InChI=1S/C3H7NSSe/c4-3-1-5-6-2-3/h3H,1-2,4H2InChIKey=HOYHHFSPTHJLOS-UHFFFAOYSA-N214.9Ex 214.87(BP est) 38.99(MP est) ----(BP exp) ----(MP exp) NC1C[Se]SC1 39Pred
CCSC(C)=[Se]17871167.128C4H8SSeS-ethyl ethaneselenothioateN146CCSC(C)=[Se]InChI=1S/C4H8SSe/c1-3-5-4(2)6/h3H2,1-2H3InChIKey=LZFGZNSYNKVZNZ-UHFFFAOYSA-N178.2Ex 178.16(BP est) -9.34(MP est) ----(BP exp) ----(MP exp) CCSC(C)=[Se] -9.3Pred
CC[Se]C(C)=S17872167.128C4H8SSeSe-ethyl ethaneselenothioateN146CC[Se]C(C)=SInChI=1S/C4H8SSe/c1-3-6-4(2)5/h3H2,1-2H3InChIKey=FSHSHHWXCBRNSC-UHFFFAOYSA-N189.4Ex 189.41(BP est) 16.17(MP est) ----(BP exp) ----(MP exp) CC[Se]C(C)=S 16.2Pred
C[Se]C(SC)=C17873167.128C4H8SSemethyl(1-(methylselanyl)vinyl)sulfaneN146C[Se]C(SC)=CInChI=1S/C4H8SSe/c1-4(5-2)6-3/h1H2,2-3H3InChIKey=XMWXAUGSHWLULU-UHFFFAOYSA-N171.4Ex 171.41(BP est) -19.11(MP est) ----(BP exp) ----(MP exp) C[Se]C(SC)=C -19.1Pred
CC1[Se]CCS117874167.128C4H8SSe2-methyl-1,3-thiaselenolaneN146CC1[Se]CCS1InChI=1S/C4H8SSe/c1-4-5-2-3-6-4/h4H,2-3H2,1H3InChIKey=NMQSNJDWGDEPFS-UHFFFAOYSA-N181.9Ex 181.89(BP est) 20.55(MP est) ----(BP exp) ----(MP exp) CC1[Se]CCS1 20.6Pred
C=CS[Se]CC17877167.128C4H8SSe(ethylselanyl)(vinyl)sulfaneN146C=CS[Se]CCInChI=1S/C4H8SSe/c1-3-5-6-4-2/h3H,1,4H2,2H3InChIKey=PTOWWQCLVGFGIU-UHFFFAOYSA-N177.2Ex 177.15(BP est) -10.45(MP est) ----(BP exp) ----(MP exp) C=CS[Se]CC -10.5Pred
C=C[Se]SCC17878167.128C4H8SSeethyl(vinylselanyl)sulfaneN146C=C[Se]SCCInChI=1S/C4H8SSe/c1-3-5-6-4-2/h4H,2-3H2,1H3InChIKey=ZWSFPRLLKRRALR-UHFFFAOYSA-N177.2Ex 177.15(BP est) -10.45(MP est) ----(BP exp) ----(MP exp) C=C[Se]SCC -10.5Pred
CS[Se]C1CC117879167.128C4H8SSe(cyclopropylselanyl)(methyl)sulfaneN146CS[Se]C1CC1InChI=1S/C4H8SSe/c1-5-6-4-2-3-4/h4H,2-3H2,1H3InChIKey=RHXVTMKXTJCXOS-UHFFFAOYSA-N182.3Ex 182.25(BP est) 0.89(MP est) ----(BP exp) ----(MP exp) CS[Se]C1CC1 0.9Pred
C[Se]SC1CC117880167.128C4H8SSecyclopropyl(methylselanyl)sulfaneN146C[Se]SC1CC1InChI=1S/C4H8SSe/c1-6-5-4-2-3-4/h4H,2-3H2,1H3InChIKey=DSWCULIZXWYSLN-UHFFFAOYSA-N182.3Ex 182.25(BP est) 0.89(MP est) ----(BP exp) ----(MP exp) C[Se]SC1CC1 0.9Pred
S1CC[Se]CC117883167.128C4H8SSe1,4-thiaselenaneN146S1CC[Se]CC1InChI=1S/C4H8SSe/c1-3-6-4-2-5-1/h1-4H2InChIKey=ZXNZKGIBIONVSR-UHFFFAOYSA-N189.7Ex 189.73(BP est) 23.20(MP est) ----(BP exp) ----(MP exp) S1CC[Se]CC1 23.2Pred
[Se]1CSCCC117884167.128C4H8SSe1,3-thiaselenaneN146[Se]1CSCCC1InChI=1S/C4H8SSe/c1-2-5-4-6-3-1/h1-4H2InChIKey=CWFOPUBDWAMHPE-UHFFFAOYSA-N189.7Ex 189.73(BP est) 23.20(MP est) ----(BP exp) ----(MP exp) [Se]1CSCCC1 23.2Pred
C1S[Se]CCC117885167.128C4H8SSe1,2-thiaselenaneN146C1S[Se]CCC1InChI=1S/C4H8SSe/c1-2-4-6-5-3-1/h1-4H2InChIKey=BJVVBPYRXQHWDK-UHFFFAOYSA-N189.7Ex 189.73(BP est) 23.20(MP est) ----(BP exp) ----(MP exp) C1S[Se]CCC1 23.2Pred
N=C1NCS[Se]117886167.088C2H4N2SSe1,2,4-thiaselenazolidin-3-imineN106N=C1NCS[Se]1InChI=1S/C2H4N2SSe/c3-2-4-1-5-6-2/h1H2,(H2,3,4)InChIKey=WQLYXIXSINYPEP-UHFFFAOYSA-N257.6Ex 257.62(BP est) 85.94(MP est) ----(BP exp) ----(MP exp) N=C1NCS[Se]1 85.9Pred
N=C1NC[Se]S117887167.088C2H4N2SSe1,2,4-thiaselenazolidin-5-imineN106N=C1NC[Se]S1InChI=1S/C2H4N2SSe/c3-2-4-1-6-5-2/h1H2,(H2,3,4)InChIKey=ZZQQVNRSEBHHGL-UHFFFAOYSA-N257.6Ex 257.62(BP est) 85.94(MP est) ----(BP exp) ----(MP exp) N=C1NC[Se]S1 85.9Pred
O=S1[Se]CC=C117888167.084C3H4OSSe3H-1,2-thiaselenole 1-oxideN106O=S1[Se]CC=C1InChI=1S/C3H4OSSe/c4-5-2-1-3-6-5/h1-2H,3H2InChIKey=XBZJSNDHJSNSHH-UHFFFAOYSA-N239.1Ex 239.10(BP est) 40.08(MP est) ----(BP exp) ----(MP exp) O=S1[Se]CC=C1 40.1Pred
O=[Se]1SCC=C117889167.084C3H4OSSe5H-1,2-thiaselenole 2-oxideN106O=[Se]1SCC=C1InChI=1S/C3H4OSSe/c4-6-3-1-2-5-6/h1,3H,2H2InChIKey=PHTKGAZMAWEIPU-UHFFFAOYSA-N160.5Ex 160.45(BP est) 12.19(MP est) ----(BP exp) ----(MP exp) O=[Se]1SCC=C1 12.2Pred
O=CC(=S)C[SeH]17890167.084C3H4OSSe3-hydroseleno-2-thioxopropanalN106O=CC(=S)C[Se]([H])InChI=1S/C3H4OSSe/c4-1-3(5)2-6/h1,6H,2H2InChIKey=LCLSTLPTEHOABE-UHFFFAOYSA-N221.4Ex 221.39(BP est) 37.91(MP est) ----(BP exp) ----(MP exp) O=CC(=S)C[Se]([H]) 37.9Pred
O=CC(=[Se])CS17891167.084C3H4OSSe3-mercapto-2-selenoxopropanalN106O=CC(=[Se])CSInChI=1S/C3H4OSSe/c4-1-3(6)2-5/h1,5H,2H2InChIKey=RKMNVSOVTLAPGR-UHFFFAOYSA-N220.7Ex 220.68(BP est) 19.47(MP est) ----(BP exp) ----(MP exp) O=CC(=[Se])CS 19.5Pred
O=C1SCC[Se]117892167.084C3H4OSSe1,3-thiaselenolan-2-oneN106O=C1SCC[Se]1InChI=1S/C3H4OSSe/c4-3-5-1-2-6-3/h1-2H2InChIKey=FEJMBBHYFNDXKN-UHFFFAOYSA-N223.6Ex 223.60(BP est) 40.11(MP est) ----(BP exp) ----(MP exp) O=C1SCC[Se]1 40.1Pred
O=C1CC[Se]S117894167.084C3H4OSSe1,2-thiaselenolan-5-oneN106O=C1CC[Se]S1InChI=1S/C3H4OSSe/c4-3-1-2-6-5-3/h1-2H2InChIKey=AHOLJORZPGIPFP-UHFFFAOYSA-N223.6Ex 223.60(BP est) 40.11(MP est) ----(BP exp) ----(MP exp) O=C1CC[Se]S1 40.1Pred
O=C1CCS[Se]117895167.084C3H4OSSe1,2-thiaselenolan-3-oneN106O=C1CCS[Se]1InChI=1S/C3H4OSSe/c4-3-1-2-5-6-3/h1-2H2InChIKey=SQUKXUKJJDKKHA-UHFFFAOYSA-N223.6Ex 223.60(BP est) 40.11(MP est) ----(BP exp) ----(MP exp) O=C1CCS[Se]1 40.1Pred
S=C1NC[Se]C117896166.1C3H5NSSe1,3-selenazolidine-4-thioneN116S=C1NC[Se]C1InChI=1S/C3H5NSSe/c5-3-1-6-2-4-3/h1-2H2,(H,4,5)InChIKey=DXIVNHCHSRJNDD-UHFFFAOYSA-N281.5Ex 281.45(BP est) 75.85(MP est) ----(BP exp) ----(MP exp) S=C1NC[Se]C1 75.9Pred
[Se]=C1NCSC117897166.1C3H5NSSethiazolidine-4-selenoneN116[Se]=C1NCSC1InChI=1S/C3H5NSSe/c6-3-1-5-2-4-3/h1-2H2,(H,4,6)InChIKey=SDPXGWZVSXVHPH-UHFFFAOYSA-N222.8Ex 222.77(BP est) 55.39(MP est) ----(BP exp) ----(MP exp) [Se]=C1NCSC1 55.4Pred
S=C1[Se]CCN117898166.1C3H5NSSe1,3-selenazolidine-2-thioneN116S=C1[Se]CCN1InChI=1S/C3H5NSSe/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)InChIKey=WHOKJSFAYDCEJQ-UHFFFAOYSA-N281.5Ex 281.45(BP est) 75.85(MP est) ----(BP exp) ----(MP exp) S=C1[Se]CCN1 75.9Pred
[Se]=C1SCCN117899166.1C3H5NSSethiazolidine-2-selenoneN116[Se]=C1SCCN1InChI=1S/C3H5NSSe/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)InChIKey=IFWSTZNJCOUYHR-UHFFFAOYSA-N222.8Ex 222.77(BP est) 55.39(MP est) ----(BP exp) ----(MP exp) [Se]=C1SCCN1 55.4Pred
[SeH]C1=NCCS117901166.1C3H5NSSe4,5-dihydrothiazole-2-selenolN116[Se]([H])C1=NCCS1InChI=1S/C3H5NSSe/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)InChIKey=IFWSTZNJCOUYHR-UHFFFAOYSA-N205.3Ex 205.31(BP est) 39.46(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NCCS1 39.5Pred
SC1N=CC[Se]117902166.1C3H5NSSe2,5-dihydro-1,3-selenazole-2-thiolN116SC1N=CC[Se]1InChI=1S/C3H5NSSe/c5-3-4-1-2-6-3/h1,3,5H,2H2InChIKey=NMRIUWRRSNCMFU-UHFFFAOYSA-N211.6Ex 211.57(BP est) 29.45(MP est) ----(BP exp) ----(MP exp) SC1N=CC[Se]1 29.5Pred
[SeH]C1N=CCS117903166.1C3H5NSSe2,5-dihydrothiazole-2-selenolN116[Se]([H])C1N=CCS1InChI=1S/C3H5NSSe/c6-3-4-1-2-5-3/h1,3,6H,2H2InChIKey=MAJZSSPRHQATCV-UHFFFAOYSA-N201.3Ex 201.28(BP est) 33.51(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1N=CCS1 33.5Pred
SC1=C[Se]CN117904166.1C3H5NSSe2,3-dihydro-1,3-selenazole-4-thiolN116SC1=C[Se]CN1InChI=1S/C3H5NSSe/c5-3-1-6-2-4-3/h1,4-5H,2H2InChIKey=HAYFWIBUECXWRV-UHFFFAOYSA-N233.7Ex 233.74(BP est) 46.83(MP est) ----(BP exp) ----(MP exp) SC1=C[Se]CN1 46.8Pred
SC1NC=C[Se]117906166.1C3H5NSSe2,3-dihydro-1,3-selenazole-2-thiolN116SC1NC=C[Se]1InChI=1S/C3H5NSSe/c5-3-4-1-2-6-3/h1-5HInChIKey=KBGPRSBJYQEYJD-UHFFFAOYSA-N230.0Ex 229.99(BP est) 40.99(MP est) ----(BP exp) ----(MP exp) SC1NC=C[Se]1 41Pred
[SeH]C1NC=CS117907166.1C3H5NSSe2,3-dihydrothiazole-2-selenolN116[Se]([H])C1NC=CS1InChI=1S/C3H5NSSe/c6-3-4-1-2-5-3/h1-4,6HInChIKey=NLXOKGPUFKVCSD-UHFFFAOYSA-N220.2Ex 220.16(BP est) 50.15(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1NC=CS1 50.2Pred
N=C1SCC[Se]117908166.1C3H5NSSe1,3-thiaselenolan-2-imineN116N=C1SCC[Se]1InChI=1S/C3H5NSSe/c4-3-5-1-2-6-3/h4H,1-2H2InChIKey=VGLWDZMHXGXJSJ-UHFFFAOYSA-N228.9Ex 228.87(BP est) 49.91(MP est) ----(BP exp) ----(MP exp) N=C1SCC[Se]1 49.9Pred
[Se]=CCCC=S17910165.112C4H6SSe4-selenoxobutanethialN126[Se]=CCCC=SInChI=1S/C4H6SSe/c5-3-1-2-4-6/h3-4H,1-2H2InChIKey=JPRRXUBVNDPEIR-UHFFFAOYSA-N126.7Ex 126.68(BP est) -27.68(MP est) ----(BP exp) ----(MP exp) [Se]=CCCC=S -27.7Pred
CC1=CCS[Se]117911165.112C4H6SSe3-methyl-5H-1,2-thiaselenoleN126CC1=CCS[Se]1InChI=1S/C4H6SSe/c1-4-2-3-5-6-4/h2H,3H2,1H3InChIKey=MIZLNASVHFGJGO-UHFFFAOYSA-N188.8Ex 188.79(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) CC1=CCS[Se]1 19.7Pred
CC1=CC[Se]S117912165.112C4H6SSe5-methyl-3H-1,2-thiaselenoleN126CC1=CC[Se]S1InChI=1S/C4H6SSe/c1-4-2-3-6-5-4/h2H,3H2,1H3InChIKey=GLGDAUUBPQFWDC-UHFFFAOYSA-N188.8Ex 188.79(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) CC1=CC[Se]S1 19.7Pred
CC1=C[Se]SC117913165.112C4H6SSe4-methyl-5H-1,2-thiaselenoleN126CC1=C[Se]SC1InChI=1S/C4H6SSe/c1-4-2-5-6-3-4/h3H,2H2,1H3InChIKey=ZYHVIQAZKSSGSX-UHFFFAOYSA-N188.8Ex 188.79(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) CC1=C[Se]SC1 19.7Pred
CC1=CS[Se]C117914165.112C4H6SSe4-methyl-3H-1,2-thiaselenoleN126CC1=CS[Se]C1InChI=1S/C4H6SSe/c1-4-2-5-6-3-4/h2H,3H2,1H3InChIKey=PRGWQFFSNNBJSK-UHFFFAOYSA-N188.8Ex 188.79(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) CC1=CS[Se]C1 19.7Pred
C1C=CSC[Se]117915165.112C4H6SSe4H-1,3-thiaselenineN126C1C=CSC[Se]1InChI=1S/C4H6SSe/c1-2-5-4-6-3-1/h1-2H,3-4H2InChIKey=MHGHOHZGYZMPSF-UHFFFAOYSA-N192.4Ex 192.40(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) C1C=CSC[Se]1 24.4Pred
C1C=C[Se]CS117916165.112C4H6SSe6H-1,3-thiaselenineN126C1C=C[Se]CS1InChI=1S/C4H6SSe/c1-2-5-4-6-3-1/h1,3H,2,4H2InChIKey=NBNMOLKDXBUPOJ-UHFFFAOYSA-N192.4Ex 192.40(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) C1C=C[Se]CS1 24.4Pred
CC1C=CS[Se]117917165.112C4H6SSe3-methyl-3H-1,2-thiaselenoleN126CC1C=CS[Se]1InChI=1S/C4H6SSe/c1-4-2-3-5-6-4/h2-4H,1H3InChIKey=XTODGBOSXUROGB-UHFFFAOYSA-N184.6Ex 184.60(BP est) 21.72(MP est) ----(BP exp) ----(MP exp) CC1C=CS[Se]1 21.7Pred
CC1C=C[Se]S117918165.112C4H6SSe5-methyl-5H-1,2-thiaselenoleN126CC1C=C[Se]S1InChI=1S/C4H6SSe/c1-4-2-3-6-5-4/h2-4H,1H3InChIKey=RNCYAOJHSVNYIS-UHFFFAOYSA-N184.6Ex 184.60(BP est) 21.72(MP est) ----(BP exp) ----(MP exp) CC1C=C[Se]S1 21.7Pred
S1[Se]CCC=C117919165.112C4H6SSe3,4-dihydro-1,2-thiaselenineN126S1[Se]CCC=C1InChI=1S/C4H6SSe/c1-2-4-6-5-3-1/h1,3H,2,4H2InChIKey=CULNJGFLUDAPPX-UHFFFAOYSA-N192.4Ex 192.40(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) S1[Se]CCC=C1 24.4Pred
[Se]1SCCC=C117920165.112C4H6SSe5,6-dihydro-1,2-thiaselenineN126[Se]1SCCC=C1InChI=1S/C4H6SSe/c1-2-4-6-5-3-1/h2,4H,1,3H2InChIKey=UCFPTBYFAZSRDF-UHFFFAOYSA-N192.4Ex 192.40(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) [Se]1SCCC=C1 24.4Pred
C=C1SCC[Se]117921165.112C4H6SSe2-methylene-1,3-thiaselenolaneN126C=C1SCC[Se]1InChI=1S/C4H6SSe/c1-4-5-2-3-6-4/h1-3H2InChIKey=GQAUDUJGQWZDMH-UHFFFAOYSA-N182.7Ex 182.74(BP est) 29.75(MP est) ----(BP exp) ----(MP exp) C=C1SCC[Se]1 29.8Pred
S1C=C[Se]CC117923165.112C4H6SSe2,3-dihydro-1,4-thiaselenineN126S1C=C[Se]CC1InChI=1S/C4H6SSe/c1-3-6-4-2-5-1/h1,3H,2,4H2InChIKey=BZMYQLVKKOSZDM-UHFFFAOYSA-N192.4Ex 192.40(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) S1C=C[Se]CC1 24.4Pred
C1(C2[Se]C2)CS117924165.112C4H6SSe2-(seleniran-2-yl)thiiraneN126C1(C2[Se]C2)CS1InChI=1S/C4H6SSe/c1-3(5-1)4-2-6-4/h3-4H,1-2H2InChIKey=ZAGNGYJVQLKUGX-UHFFFAOYSA-N181.6Ex 181.62(BP est) 12.67(MP est) ----(BP exp) ----(MP exp) C1(C2[Se]C2)CS1 12.7Pred
CS[Se]CC#C17925165.112C4H6SSemethyl(prop-2-yn-1-ylselanyl)sulfaneN126CS[Se]CC#CInChI=1S/C4H6SSe/c1-3-4-6-5-2/h1H,4H2,2H3InChIKey=SNFRDLOSLZPLLF-UHFFFAOYSA-N186.0Ex 185.98(BP est) 16.49(MP est) ----(BP exp) ----(MP exp) CS[Se]CC#C 16.5Pred
C[Se]SCC#C17926165.112C4H6SSe(methylselanyl)(prop-2-yn-1-yl)sulfaneN126C[Se]SCC#CInChI=1S/C4H6SSe/c1-3-4-5-6-2/h1H,4H2,2H3InChIKey=WQWROZBLSZXPJC-UHFFFAOYSA-N186.0Ex 185.98(BP est) 16.49(MP est) ----(BP exp) ----(MP exp) C[Se]SCC#C 16.5Pred
C=CS[Se]C=C17927165.112C4H6SSevinyl(vinylselanyl)sulfaneN126C=CS[Se]C=CInChI=1S/C4H6SSe/c1-3-5-6-4-2/h3-4H,1-2H2InChIKey=MQSNQTSKBFXCPJ-UHFFFAOYSA-N175.6Ex 175.59(BP est) -11.79(MP est) ----(BP exp) ----(MP exp) C=CS[Se]C=C -11.8Pred
SC1=NN=C[Se]117928165.072C2H2N2SSe1,3,4-selenadiazole-2-thiolN86SC1=NN=C[Se]1InChI=1S/C2H2N2SSe/c5-2-4-3-1-6-2/h1H,(H,4,5)InChIKey=HMWYUXNQSHRKFB-UHFFFAOYSA-N284.0Ex 283.98(BP est) 75.71(MP est) ----(BP exp) ----(MP exp) SC1=NN=C[Se]1 75.7Pred
[SeH]C1=NN=CS117929165.072C2H2N2SSe1,3,4-thiadiazole-2-selenolN86[Se]([H])C1=NN=CS1InChI=1S/C2H2N2SSe/c6-2-4-3-1-5-2/h1H,(H,4,6)InChIKey=CWKVMTKRTYZIDI-UHFFFAOYSA-N258.0Ex 257.99(BP est) 77.79(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NN=CS1 77.8Pred
S=C1N=CN[Se]117930165.072C2H2N2SSe1,2,4-selenadiazole-5(2H)-thioneN86S=C1N=CN[Se]1InChI=1S/C2H2N2SSe/c5-2-3-1-4-6-2/h1H,(H,3,4,5)InChIKey=JRNJKSRWGXZLDN-UHFFFAOYSA-N368.2Ex 368.18(BP est) 129.08(MP est) ----(BP exp) ----(MP exp) S=C1N=CN[Se]1 129.1Pred
[Se]=C1N=CNS117931165.072C2H2N2SSe1,2,4-thiadiazole-5(2H)-selenoneN86[Se]=C1N=CNS1InChI=1S/C2H2N2SSe/c6-2-3-1-4-5-2/h1H,(H,3,4,6)InChIKey=LWDSZDFDPQYZMV-UHFFFAOYSA-N327.9Ex 327.93(BP est) 116.70(MP est) ----(BP exp) ----(MP exp) [Se]=C1N=CNS1 116.7Pred
SC1=C[Se]N=N117932165.072C2H2N2SSe1,2,3-selenadiazole-4-thiolN86SC1=C[Se]N=N1InChI=1S/C2H2N2SSe/c5-2-1-6-4-3-2/h1,5HInChIKey=MOQUMKVAOQQNHW-UHFFFAOYSA-N284.0Ex 283.98(BP est) 75.71(MP est) ----(BP exp) ----(MP exp) SC1=C[Se]N=N1 75.7Pred
[SeH]C1=CSN=N117933165.072C2H2N2SSe1,2,3-thiadiazole-4-selenolN86[Se]([H])C1=CSN=N1InChI=1S/C2H2N2SSe/c6-2-1-5-4-3-2/h1,6HInChIKey=MUNUAEPXTQEEPO-UHFFFAOYSA-N258.0Ex 257.99(BP est) 77.79(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CSN=N1 77.8Pred
O=C1S[Se]C=C117934165.068C3H2OSSe5H-1,2-thiaselenol-5-oneN86O=C1S[Se]C=C1InChI=1S/C3H2OSSe/c4-3-1-2-6-5-3/h1-2HInChIKey=OPYDMQYYBKHFQK-UHFFFAOYSA-N226.1Ex 226.07(BP est) 41.38(MP est) ----(BP exp) ----(MP exp) O=C1S[Se]C=C1 41.4Pred
O=C1[Se]SC=C117935165.068C3H2OSSe3H-1,2-thiaselenol-3-oneN86O=C1[Se]SC=C1InChI=1S/C3H2OSSe/c4-3-1-2-5-6-3/h1-2HInChIKey=OCXHHPRFXFAOFL-UHFFFAOYSA-N226.1Ex 226.07(BP est) 41.38(MP est) ----(BP exp) ----(MP exp) O=C1[Se]SC=C1 41.4Pred
O=C1SC=C[Se]117936165.068C3H2OSSe1,3-thiaselenol-2-oneN86O=C1SC=C[Se]1InChI=1S/C3H2OSSe/c4-3-5-1-2-6-3/h1-2HInChIKey=QGSRIYKVQVVHEK-UHFFFAOYSA-N226.1Ex 226.07(BP est) 41.38(MP est) ----(BP exp) ----(MP exp) O=C1SC=C[Se]1 41.4Pred
SC1=CN=C[Se]117938164.084C3H3NSSe1,3-selenazole-5-thiolN96SC1=CN=C[Se]1InChI=1S/C3H3NSSe/c5-3-1-4-2-6-3/h1-2,5HInChIKey=YLDUOYKWOLXZSD-UHFFFAOYSA-N246.6Ex 246.61(BP est) 48.93(MP est) ----(BP exp) ----(MP exp) SC1=CN=C[Se]1 48.9Pred
[SeH]C1=CN=CS117939164.084C3H3NSSethiazole-5-selenolN96[Se]([H])C1=CN=CS1InChI=1S/C3H3NSSe/c6-3-1-4-2-5-3/h1-2,6HInChIKey=NUOXYYWSLFSNPG-UHFFFAOYSA-N207.8Ex 207.81(BP est) 40.75(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CN=CS1 40.8Pred
S=C1CN=C[Se]117940164.084C3H3NSSe1,3-selenazole-5(4H)-thioneN96S=C1CN=C[Se]1InChI=1S/C3H3NSSe/c5-3-1-4-2-6-3/h2H,1H2InChIKey=PLLDMCBLQSBKCS-UHFFFAOYSA-N267.9Ex 267.86(BP est) 68.03(MP est) ----(BP exp) ----(MP exp) S=C1CN=C[Se]1 68Pred
[Se]=C1CN=CS117941164.084C3H3NSSethiazole-5(4H)-selenoneN96[Se]=C1CN=CS1InChI=1S/C3H3NSSe/c6-3-1-4-2-5-3/h2H,1H2InChIKey=OECFAAXWBMKKAW-UHFFFAOYSA-N206.6Ex 206.60(BP est) 40.12(MP est) ----(BP exp) ----(MP exp) [Se]=C1CN=CS1 40.1Pred
SC1=C[Se]C=N117942164.084C3H3NSSe1,3-selenazole-4-thiolN96SC1=C[Se]C=N1InChI=1S/C3H3NSSe/c5-3-1-6-2-4-3/h1-2,5HInChIKey=PGERICMDZIPEJV-UHFFFAOYSA-N246.6Ex 246.61(BP est) 48.93(MP est) ----(BP exp) ----(MP exp) SC1=C[Se]C=N1 48.9Pred
[SeH]C1=CSC=N117943164.084C3H3NSSethiazole-4-selenolN96[Se]([H])C1=CSC=N1InChI=1S/C3H3NSSe/c6-3-1-5-2-4-3/h1-2,6HInChIKey=VVLJHPRIRPJYQH-UHFFFAOYSA-N207.8Ex 207.81(BP est) 40.75(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CSC=N1 40.8Pred
S=C1C[Se]C=N117944164.084C3H3NSSe1,3-selenazole-4(5H)-thioneN96S=C1C[Se]C=N1InChI=1S/C3H3NSSe/c5-3-1-6-2-4-3/h2H,1H2InChIKey=XWPOIYPKYCWEFD-UHFFFAOYSA-N267.9Ex 267.86(BP est) 68.03(MP est) ----(BP exp) ----(MP exp) S=C1C[Se]C=N1 68Pred
[Se]=C1CSC=N117945164.084C3H3NSSethiazole-4(5H)-selenoneN96[Se]=C1CSC=N1InChI=1S/C3H3NSSe/c6-3-1-5-2-4-3/h2H,1H2InChIKey=UVWWXRDPFUSBTA-UHFFFAOYSA-N206.6Ex 206.60(BP est) 40.12(MP est) ----(BP exp) ----(MP exp) [Se]=C1CSC=N1 40.1Pred
SC1=NC=C[Se]117946164.084C3H3NSSe1,3-selenazole-2-thiolN96SC1=NC=C[Se]1InChI=1S/C3H3NSSe/c5-3-4-1-2-6-3/h1-2H,(H,4,5)InChIKey=ZJDZWVKVBDFIQG-UHFFFAOYSA-N246.6Ex 246.61(BP est) 48.93(MP est) ----(BP exp) ----(MP exp) SC1=NC=C[Se]1 48.9Pred
[SeH]C1=NC=CS117947164.084C3H3NSSethiazole-2-selenolN96[Se]([H])C1=NC=CS1InChI=1S/C3H3NSSe/c6-3-4-1-2-5-3/h1-2H,(H,4,6)InChIKey=VZIJPJGOMABVJF-UHFFFAOYSA-N207.8Ex 207.81(BP est) 40.75(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=NC=CS1 40.8Pred
N#CC([Se]C)=S17950164.084C3H3NSSeSe-methyl carbonocyanidoselenothioateN96N#CC([Se]C)=SInChI=1S/C3H3NSSe/c1-6-3(5)2-4/h1H3InChIKey=AKXKVKGGUAAHQT-UHFFFAOYSA-N246.7Ex 246.72(BP est) 49.98(MP est) ----(BP exp) ----(MP exp) N#CC([Se]C)=S 50Pred
N#CC(SC)=[Se]17951164.084C3H3NSSeS-methyl carbonocyanidoselenothioateN96N#CC(SC)=[Se]InChI=1S/C3H3NSSe/c1-5-3(6)2-4/h1H3InChIKey=CMZPPRGLVNIKSX-UHFFFAOYSA-N237.0Ex 236.96(BP est) 34.68(MP est) ----(BP exp) ----(MP exp) N#CC(SC)=[Se] 34.7Pred
SC1=C[Se]C=C117952163.096C4H4SSeselenophene-3-thiolN106SC1=C[Se]C=C1InChI=1S/C4H4SSe/c5-4-1-2-6-3-4/h1-3,5HInChIKey=WJTLDZOWKCHHGZ-UHFFFAOYSA-N205.5Ex 205.50(BP est) 16.08(MP est) ----(BP exp) ----(MP exp) SC1=C[Se]C=C1 16.1Pred
[SeH]C1=CSC=C117953163.096C4H4SSethiophene-3-selenolN106[Se]([H])C1=CSC=C1InChI=1S/C4H4SSe/c6-4-1-2-5-3-4/h1-3,6HInChIKey=NZJMTWXAZPOANS-UHFFFAOYSA-N198.6Ex 198.55(BP est) 28.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CSC=C1 28.1Pred
SC1=CC=C[Se]117954163.096C4H4SSeselenophene-2-thiolN106SC1=CC=C[Se]1InChI=1S/C4H4SSe/c5-4-2-1-3-6-4/h1-3,5HInChIKey=MLMKNBDXVXSHIJ-UHFFFAOYSA-N205.5Ex 205.50(BP est) 16.08(MP est) ----(BP exp) ----(MP exp) SC1=CC=C[Se]1 16.1Pred
[SeH]C1=CC=CS117955163.096C4H4SSethiophene-2-selenolN106[Se]([H])C1=CC=CS1InChI=1S/C4H4SSe/c6-4-2-1-3-5-4/h1-3,6HInChIKey=FKYBPOYCVVXJCH-UHFFFAOYSA-N198.6Ex 198.55(BP est) 28.07(MP est) ----(BP exp) ----(MP exp) [Se]([H])C1=CC=CS1 28.1Pred
C=C1C=CS[Se]117956163.096C4H4SSe3-methylene-3H-1,2-thiaselenoleN106C=C1C=CS[Se]1InChI=1S/C4H4SSe/c1-4-2-3-5-6-4/h2-3H,1H2InChIKey=ZOYVRZYMJLBEMK-UHFFFAOYSA-N185.4Ex 185.44(BP est) 18.82(MP est) ----(BP exp) ----(MP exp) C=C1C=CS[Se]1 18.8Pred
C=C1C=C[Se]S117957163.096C4H4SSe5-methylene-5H-1,2-thiaselenoleN106C=C1C=C[Se]S1InChI=1S/C4H4SSe/c1-4-2-3-6-5-4/h2-3H,1H2InChIKey=MTZHADUHHOPJSL-UHFFFAOYSA-N185.4Ex 185.44(BP est) 18.82(MP est) ----(BP exp) ----(MP exp) C=C1C=C[Se]S1 18.8Pred
C=C1SC=C[Se]117958163.096C4H4SSe2-methylene-1,3-thiaselenoleN106C=C1SC=C[Se]1InChI=1S/C4H4SSe/c1-4-5-2-3-6-4/h2-3H,1H2InChIKey=UPUYXYLIQDBLOA-UHFFFAOYSA-N185.4Ex 185.44(BP est) 18.82(MP est) ----(BP exp) ----(MP exp) C=C1SC=C[Se]1 18.8Pred
C1=CSC=C[Se]117959163.096C4H4SSe1,4-thiaselenineN106C1=CSC=C[Se]1InChI=1S/C4H4SSe/c1-3-6-4-2-5-1/h1-4HInChIKey=ZXZAWSKNIFCUHD-UHFFFAOYSA-N195.1Ex 195.05(BP est) 25.51(MP est) ----(BP exp) ----(MP exp) C1=CSC=C[Se]1 25.5Pred
C1=CC=C[Se]S117960163.096C4H4SSe1,2-thiaselenineN106C1=CC=C[Se]S1InChI=1S/C4H4SSe/c1-2-4-6-5-3-1/h1-4HInChIKey=LWPYOTPOZNWTAB-UHFFFAOYSA-N195.1Ex 195.05(BP est) 25.51(MP est) ----(BP exp) ----(MP exp) C1=CC=C[Se]S1 25.5Pred
CS[Se]CF17961159.08C2H5FSSe((fluoromethyl)selanyl)(methyl)sulfaneN105CS[Se]CFInChI=1S/C2H5FSSe/c1-4-5-2-3/h2H2,1H3InChIKey=GSSQTGRSWOKNTR-UHFFFAOYSA-N137.4Ex 137.41(BP est) -32.15(MP est) ----(BP exp) ----(MP exp) CS[Se]CF -32.2Pred
C[Se]SCF17962159.08C2H5FSSe(fluoromethyl)(methylselanyl)sulfaneN105C[Se]SCFInChI=1S/C2H5FSSe/c1-5-4-2-3/h2H2,1H3InChIKey=KSZGTJXUFSPCHZ-UHFFFAOYSA-N137.4Ex 137.41(BP est) -32.15(MP est) ----(BP exp) ----(MP exp) C[Se]SCF -32.2Pred
[Se]=C=C=C=C=S17963159.064C4SSe4-selenoxobuta-1,2,3-triene-1-thioneN66[Se]=C=C=C=C=SInChI=1S/C4SSe/c5-3-1-2-4-6InChIKey=UYCRTPSHSZDNPW-UHFFFAOYSA-N124.5Ex 124.48(BP est) -16.08(MP est) ----(BP exp) ----(MP exp) [Se]=C=C=C=C=S -16.1Pred
CS[Se](C)=O17964157.089C2H6OSSeS-methyl methaneseleninothioateN115CS[Se](C)=OInChI=1S/C2H6OSSe/c1-4-5(2)3/h1-2H3InChIKey=JNFHWLFBTJIQDU-UHFFFAOYSA-N125.3Ex 125.29(BP est) -34.94(MP est) ----(BP exp) ----(MP exp) CS[Se](C)=O -34.9Pred
C[Se]S(C)=O17965157.089C2H6OSSeSe-methyl methanesulfinoselenoateN115C[Se]S(C)=OInChI=1S/C2H6OSSe/c1-4(3)5-2/h1-2H3InChIKey=UPUUOMIIRHNURA-UHFFFAOYSA-N209.2Ex 209.23(BP est) 21.32(MP est) ----(BP exp) ----(MP exp) C[Se]S(C)=O 21.3Pred
[SeH]CCCS17966155.117C3H8SSe3-hydroselenopropane-1-thiolN135[Se]([H])CCCSInChI=1S/C3H8SSe/c4-2-1-3-5/h4-5H,1-3H2InChIKey=YKQRLSBPFAMEEE-UHFFFAOYSA-N172.3Ex 172.26(BP est) -7.42(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCCS -7.4Pred
SC(C)C[SeH]17967155.117C3H8SSe1-hydroselenopropane-2-thiolN135SC(C)C[Se]([H])InChI=1S/C3H8SSe/c1-3(4)2-5/h3-5H,2H2,1H3InChIKey=DGKYRJLBXNLEBY-UHFFFAOYSA-N159.4Ex 159.35(BP est) -18.69(MP est) ----(BP exp) ----(MP exp) SC(C)C[Se]([H]) -18.7Pred
[SeH]C(C)CS17968155.117C3H8SSe2-hydroselenopropane-1-thiolN135[Se]([H])C(C)CSInChI=1S/C3H8SSe/c1-3(5)2-4/h3-5H,2H2,1H3InChIKey=DTCGUUZNQDZPFH-UHFFFAOYSA-N159.4Ex 159.35(BP est) -18.69(MP est) ----(BP exp) ----(MP exp) [Se]([H])C(C)CS -18.7Pred
CSC[Se]C17969155.117C3H8SSemethyl((methylselanyl)methyl)sulfaneN135CSC[Se]CInChI=1S/C3H8SSe/c1-4-3-5-2/h3H2,1-2H3InChIKey=KUUSPFAUZYMQAG-UHFFFAOYSA-N157.4Ex 157.41(BP est) -20.97(MP est) ----(BP exp) ----(MP exp) CSC[Se]C -21Pred
SCC[Se]C17970155.117C3H8SSe2-(methylselanyl)ethane-1-thiolN135SCC[Se]CInChI=1S/C3H8SSe/c1-5-3-2-4/h4H,2-3H2,1H3InChIKey=IUPBGKJKCWREJJ-UHFFFAOYSA-N170.3Ex 170.30(BP est) -16.18(MP est) ----(BP exp) ----(MP exp) SCC[Se]C -16.2Pred
[SeH]CCSC17971155.117C3H8SSe2-(methylthio)ethane-1-selenolN135[Se]([H])CCSCInChI=1S/C3H8SSe/c1-4-2-3-5/h5H,2-3H2,1H3InChIKey=JQEYDFGZMKUSJT-UHFFFAOYSA-N159.4Ex 159.42(BP est) -12.20(MP est) ----(BP exp) ----(MP exp) [Se]([H])CCSC -12.2Pred
CS[Se]CC17972155.117C3H8SSe(ethylselanyl)(methyl)sulfaneN135CS[Se]CCInChI=1S/C3H8SSe/c1-3-5-4-2/h3H2,1-2H3InChIKey=JIAAZYWBZLVEKN-UHFFFAOYSA-N157.4Ex 157.41(BP est) -20.97(MP est) ----(BP exp) ----(MP exp) CS[Se]CC -21Pred
C[Se]SCC17973155.117C3H8SSeethyl(methylselanyl)sulfaneN135C[Se]SCCInChI=1S/C3H8SSe/c1-3-4-5-2/h3H2,1-2H3InChIKey=STASKMNTKNQKGX-UHFFFAOYSA-N157.4Ex 157.41(BP est) -20.97(MP est) ----(BP exp) ----(MP exp) C[Se]SCC -21Pred
CSC([SeH])=O17974155.073C2H4OSSeS-methyl Se-hydrogen carbonoselenothioateN95CSC([Se]([H]))=OInChI=1S/C2H4OSSe/c1-4-2(3)5/h1H3,(H,3,5)InChIKey=IEJNSPSYBZTLTD-UHFFFAOYSA-N179.7Ex 179.67(BP est) 13.04(MP est) ----(BP exp) ----(MP exp) CSC([Se]([H]))=O 13Pred
C[Se]C(S)=O17975155.073C2H4OSSeSe-methyl S-hydrogen carbonoselenothioateN95C[Se]C(S)=OInChI=1S/C2H4OSSe/c1-5-2(3)4/h1H3,(H,3,4)InChIKey=TZROQENXBOGTBP-UHFFFAOYSA-N190.1Ex 190.12(BP est) 8.94(MP est) ----(BP exp) ----(MP exp) C[Se]C(S)=O 8.9Pred
S1[Se]CNC117976154.089C2H5NSSe1,2,4-thiaselenazolidineN105S1[Se]CNC1InChI=1S/C2H5NSSe/c1-3-2-5-4-1/h3H,1-2H2InChIKey=WMYVMJGSNVFBOS-UHFFFAOYSA-N200.2Ex 200.22(BP est) 36.26(MP est) ----(BP exp) ----(MP exp) S1[Se]CNC1 36.3Pred
S1C[Se]CC117978153.101C3H6SSe1,3-thiaselenolaneN115S1C[Se]CC1InChI=1S/C3H6SSe/c1-2-5-3-4-1/h1-3H2InChIKey=USNMLOONTFDMDW-UHFFFAOYSA-N167.0Ex 166.95(BP est) 12.67(MP est) ----(BP exp) ----(MP exp) S1C[Se]CC1 12.7Pred
O=C1S[Se]C117979153.057C2H2OSSe1,2-thiaselenetan-4-oneN75O=C1S[Se]C1InChI=1S/C2H2OSSe/c3-2-1-5-4-2/h1H2InChIKey=MVFRVCPDZSROKS-UHFFFAOYSA-N202.5Ex 202.53(BP est) 28.95(MP est) ----(BP exp) ----(MP exp) O=C1S[Se]C1 29Pred
O=C1[Se]SC117980153.057C2H2OSSe1,2-thiaselenetan-3-oneN75O=C1[Se]SC1InChI=1S/C2H2OSSe/c3-2-1-4-5-2/h1H2InChIKey=NMJJNFMZSLNKGR-UHFFFAOYSA-N202.5Ex 202.53(BP est) 28.95(MP est) ----(BP exp) ----(MP exp) O=C1[Se]SC1 29Pred
S=CNC=[Se]17981152.073C2H3NSSeN-selenoformylmethanethioamideN85S=CNC=[Se]InChI=1S/C2H3NSSe/c4-1-3-2-5/h1-2H,(H,3,4,5)InChIKey=WVEMSJZYDNSOGH-UHFFFAOYSA-N123.7Ex 123.67(BP est) -13.50(MP est) ----(BP exp) ----(MP exp) S=CNC=[Se] -13.5Pred
C1N=CS[Se]117982152.073C2H3NSSe3H-1,2,4-thiaselenazoleN85C1N=CS[Se]1InChI=1S/C2H3NSSe/c1-3-2-5-4-1/h1H,2H2InChIKey=VGRXGDDIKXVKES-UHFFFAOYSA-N183.2Ex 183.16(BP est) 20.60(MP est) ----(BP exp) ----(MP exp) C1N=CS[Se]1 20.6Pred
C1N=C[Se]S117983152.073C2H3NSSe5H-1,2,4-thiaselenazoleN85C1N=C[Se]S1InChI=1S/C2H3NSSe/c1-3-2-5-4-1/h2H,1H2InChIKey=AUZYOWMCXYXETE-UHFFFAOYSA-N183.2Ex 183.16(BP est) 20.60(MP est) ----(BP exp) ----(MP exp) C1N=C[Se]S1 20.6Pred
[Se]=CCC=S17984151.085C3H4SSe3-selenoxopropanethialN95[Se]=CCC=SInChI=1S/C3H4SSe/c4-2-1-3-5/h2-3H,1H2InChIKey=FMQNWIOIDPZARH-UHFFFAOYSA-N103.2Ex 103.22(BP est) -40.16(MP est) ----(BP exp) ----(MP exp) [Se]=CCC=S -40.2Pred
[AsH3]1798577.9456AsH3arsaneN41[H][As]([H])[H]InChI=1S/AsH3/h1H3InChIKey=RBFQJDQYXXHULB-UHFFFAOYSA-N-62.5Ex 473.40(BP est) 188.28(MP est) ----(BP exp) ----(MP exp) [H][As]([H])[H] 188.3Pred
O[AsH]O17986109.944AsH3O2arsonous acidN63O[As]([H])OInChI=1S/AsH3O2/c2-1-3/h1-3HInChIKey=NRBZEAAIJMPAGL-UHFFFAOYSA-N125.3Ex 575.22(BP est) 243.42(MP est) ----(BP exp) ----(MP exp) O[As]([H])O 243.4Pred
C[AsH2]1798791.9726CH5AsmethylarsaneN72C[As]([H])([H])InChI=1S/CH5As/c1-2/h2H2,1H3InChIKey=IDDBICIFODFKQO-UHFFFAOYSA-N19.1Ex 19.11(BP est) -84.13(MP est) ----(BP exp) ----(MP exp) C[As]([H])([H]) -84.1Pred
[AsH]1CC117988103.984C2H5AsarsiraneN83[As]([H])1CC1InChI=1S/C2H5As/c1-2-3-1/h3H,1-2H2InChIKey=HMSQECDSYDKZQG-UHFFFAOYSA-N52.7Ex 52.69(BP est) -64.03(MP est) ----(BP exp) ----(MP exp) [As]([H])1CC1 -64Pred
[AsH2]C=C17989103.984C2H5AsvinylarsaneN83[As]([H])([H])C=CInChI=1S/C2H5As/c1-2-3/h2H,1,3H2InChIKey=FZUQHJHCMNCZEB-UHFFFAOYSA-N43.6Ex 43.61(BP est) -72.22(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C -72.2Pred
O[As](O)C17990123.971CH5AsO2methylarsonous acidN94O[As](O)CInChI=1S/CH5AsO2/c1-2(3)4/h3-4H,1H3InChIKey=OXBIRPQQKCQWGV-UHFFFAOYSA-N220.3Ex 220.34(BP est) 19.07(MP est) ----(BP exp) ----(MP exp) O[As](O)C 19.1Pred
C[AsH]C17991106C2H7AsdimethylarsaneN103C[As]([H])CInChI=1S/C2H7As/c1-3-2/h3H,1-2H3InChIKey=HBNBMOGARBJBHS-UHFFFAOYSA-N43.2Ex 43.15(BP est) -79.66(MP est) ----(BP exp) ----(MP exp) C[As]([H])C -79.7Pred
CC[AsH2]17992106C2H7AsethylarsaneN103CC[As]([H])([H])InChI=1S/C2H7As/c1-2-3/h2-3H2,1H3InChIKey=OSAGMAAQMRQLLW-UHFFFAOYSA-N36.0Ex 45.56(BP est) -70.78(MP est) ----(BP exp) ----(MP exp) CC[As]([H])([H]) -70.8Pred
OC[AsH2]17993107.972CH5AsOarsaneylmethanolN83OC[As]([H])([H])InChI=1S/CH5AsO/c2-1-3/h3H,1-2H2InChIKey=WKYNGKHWCAPAIT-UHFFFAOYSA-N113.5Ex 113.50(BP est) -26.16(MP est) ----(BP exp) ----(MP exp) OC[As]([H])([H]) -26.2Pred
[AsH2]CF17994109.963CH4AsF(fluoromethyl)arsaneN73[As]([H])([H])CFInChI=1S/CH4AsF/c2-1-3/h1-2H2InChIKey=BJMZCAKGTAEAOQ-UHFFFAOYSA-N21.7Ex 21.74(BP est) -83.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CF -83.1Pred
[AsH]1CC=C117995115.995C3H5As1,2-dihydroarseteN94[As]([H])1CC=C1InChI=1S/C3H5As/c1-2-4-3-1/h1-2,4H,3H2InChIKey=OUAJUGUELSAKLI-UHFFFAOYSA-N83.5Ex 83.50(BP est) -50.78(MP est) ----(BP exp) ----(MP exp) [As]([H])1CC=C1 -50.8Pred
C[AsH]C#C17996115.995C3H5Asethynyl(methyl)arsaneN94C[As]([H])C#CInChI=1S/C3H5As/c1-3-4-2/h1,4H,2H3InChIKey=BOPUZDXYBACJRQ-UHFFFAOYSA-N77.6Ex 77.55(BP est) -40.50(MP est) ----(BP exp) ----(MP exp) C[As]([H])C#C -40.5Pred
C#CC[AsH2]17997115.995C3H5Asprop-2-yn-1-ylarsaneN94C#CC[As]([H])([H])InChI=1S/C3H5As/c1-2-3-4/h1H,3-4H2InChIKey=LZBSAAXGMBQLQS-UHFFFAOYSA-N79.9Ex 79.85(BP est) -31.64(MP est) ----(BP exp) ----(MP exp) C#CC[As]([H])([H]) -31.6Pred
C=C=C[AsH2]17998115.995C3H5Aspropa-1,2-dien-1-ylarsaneN94C=C=C[As]([H])([H])InChI=1S/C3H5As/c1-2-3-4/h3H,1,4H2InChIKey=YXAKUHHGBVLTJT-UHFFFAOYSA-N71.2Ex 71.22(BP est) -55.27(MP est) ----(BP exp) ----(MP exp) C=C=C[As]([H])([H]) -55.3Pred
O[As](O)C=C17999135.982C2H5AsO2vinylarsonous acidN105O[As](O)C=CInChI=1S/C2H5AsO2/c1-2-3(4)5/h2,4-5H,1H2InChIKey=BYVDZGQNPDQXJK-UHFFFAOYSA-N237.5Ex 237.51(BP est) 28.83(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C 28.8Pred
N#C[AsH]N18000117.971CH3AsN2aminoarsanecarbonitrileN74N#C[As]([H])NInChI=1S/CH3AsN2/c3-1-2-4/h2H,4H2InChIKey=AYDDXSRIOYYONN-UHFFFAOYSA-N176.4Ex 176.35(BP est) 27.71(MP est) ----(BP exp) ----(MP exp) N#C[As]([H])N 27.7Pred
C[As]1CC118001118.011C3H7As1-methylarsiraneN114C[As]1CC1InChI=1S/C3H7As/c1-4-2-3-4/h2-3H2,1H3InChIKey=HZRWMCFWLXXVIG-UHFFFAOYSA-N75.7Ex 75.68(BP est) -59.87(MP est) ----(BP exp) ----(MP exp) C[As]1CC1 -59.9Pred
C=CC[AsH2]18002118.011C3H7AsallylarsaneN114C=CC[As]([H])([H])InChI=1S/C3H7As/c1-2-3-4/h2H,1,3-4H2InChIKey=RWARGUWZVSFTFF-UHFFFAOYSA-N69.2Ex 69.22(BP est) -59.11(MP est) ----(BP exp) ----(MP exp) C=CC[As]([H])([H]) -59.1Pred
[AsH2]C1CC118003118.011C3H7AscyclopropylarsaneN114[As]([H])([H])C1CC1InChI=1S/C3H7As/c4-3-1-2-3/h3H,1-2,4H2InChIKey=FAVTWLRYMCYNNW-UHFFFAOYSA-N75.4Ex 75.35(BP est) -47.47(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C1CC1 -47.5Pred
C[AsH]C=C18004118.011C3H7Asmethyl(vinyl)arsaneN114C[As]([H])C=CInChI=1S/C3H7As/c1-3-4-2/h3-4H,1H2,2H3InChIKey=DBHQNNDPYYEFJR-UHFFFAOYSA-N66.9Ex 66.89(BP est) -67.98(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C -68Pred
[AsH]1CCC118005118.011C3H7AsarsetaneN114[As]([H])1CCC1InChI=1S/C3H7As/c1-2-4-3-1/h4H,1-3H2InChIKey=IHSCLEDBGWQJDJ-UHFFFAOYSA-N80.3Ex 80.26(BP est) -52.10(MP est) ----(BP exp) ----(MP exp) [As]([H])1CCC1 -52.1Pred
O[As](O)CC18006137.998C2H7AsO2ethylarsonous acidN125O[As](O)CCInChI=1S/C2H7AsO2/c1-2-3(4)5/h4-5H,2H2,1H3InChIKey=JYTJAWJDDCHSEU-UHFFFAOYSA-N238.9Ex 238.86(BP est) 30.11(MP est) ----(BP exp) ----(MP exp) O[As](O)CC 30.1Pred
N=C([AsH2])N18007119.987CH5AsN2arsanecarboximidamideN94N=C([As]([H])([H]))NInChI=1S/CH5AsN2/c2-1(3)4/h2H2,(H3,3,4)InChIKey=IEVNYCUZNZNIPA-UHFFFAOYSA-N156.8Ex 156.78(BP est) 4.98(MP est) ----(BP exp) ----(MP exp) N=C([As]([H])([H]))N 5Pred
C[AsH]CC18008120.027C3H9Asethyl(methyl)arsaneN134C[As]([H])CCInChI=1S/C3H9As/c1-3-4-2/h4H,3H2,1-2H3InChIKey=XJDYRUCJIKYESO-UHFFFAOYSA-N71.0Ex 68.78(BP est) -66.55(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC -66.6Pred
CC(C)[AsH2]18009120.027C3H9AsisopropylarsaneN134CC(C)[As]([H])([H])InChI=1S/C3H9As/c1-3(2)4/h3H,4H2,1-2H3InChIKey=MPFUMEKKBUBMOQ-UHFFFAOYSA-N55.8Ex 55.81(BP est) -69.65(MP est) ----(BP exp) ----(MP exp) CC(C)[As]([H])([H]) -69.7Pred
CCC[AsH2]18010120.027C3H9AspropylarsaneN134CCC[As]([H])([H])InChI=1S/C3H9As/c1-2-3-4/h2-4H2,1H3InChIKey=XXLYZWZWKBEKLR-UHFFFAOYSA-N61.0Ex 71.10(BP est) -57.68(MP est) ----(BP exp) ----(MP exp) CCC[As]([H])([H]) -57.7Pred
C[As](C)C18011120.027C3H9AstrimethylarsaneN134C[As](C)CInChI=1S/C3H9As/c1-4(2)3/h1-3H3InChIKey=HTDIUWINAKAPER-UHFFFAOYSA-N52.4Ex 66.44(BP est) -75.41(MP est) 52.00(BP exp) -87.30(MP exp) C[As](C)C -87.3Expt
NCC[AsH2]18012121.015C2H8AsN2-arsaneylethan-1-amineN124NCC[As]([H])([H])InChI=1S/C2H8AsN/c3-1-2-4/h1-4H2InChIKey=KJIGZJUCNITNCY-UHFFFAOYSA-N111.3Ex 111.30(BP est) -9.95(MP est) ----(BP exp) ----(MP exp) NCC[As]([H])([H]) -10Pred
N[As](C)C18013121.015C2H8AsNdimethylarsanamineN124N[As](C)CInChI=1S/C2H8AsN/c1-3(2)4/h4H2,1-2H3InChIKey=ZCVHXPGOKMCZGZ-UHFFFAOYSA-N106.9Ex 106.92(BP est) -27.60(MP est) ----(BP exp) ----(MP exp) N[As](C)C -27.6Pred
[AsH2]N(C)C18014121.015C2H8AsNN,N-dimethylarsanamineN124[As]([H])([H])N(C)CInChI=1S/C2H8AsN/c1-4(2)3/h3H2,1-2H3InChIKey=UEUWKIVNMTVMKW-UHFFFAOYSA-N70.4Ex 70.39(BP est) -47.29(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])N(C)C -47.3Pred
[AsH2]C(F)=C18015121.974C2H4AsF(1-fluorovinyl)arsaneN84[As]([H])([H])C(F)=CInChI=1S/C2H4AsF/c1-2(3)4/h1,3H2InChIKey=REBBOGYHRPUICC-UHFFFAOYSA-N39.0Ex 39.04(BP est) -80.24(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C -80.2Pred
[AsH2]C=CF18016121.974C2H4AsF(2-fluorovinyl)arsaneN84[As]([H])([H])C=CFInChI=1S/C2H4AsF/c3-1-2-4/h1-2H,3H2InChIKey=LRVFNYVWCIHIBC-UHFFFAOYSA-N56.0Ex 56.03(BP est) -69.96(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=CF -70Pred
FC1[AsH]C118017121.974C2H4AsF2-fluoroarsiraneN84FC1[As]([H])C1InChI=1S/C2H4AsF/c4-2-1-3-2/h2-3H,1H2InChIKey=CPIPCQCKHIRVNT-UHFFFAOYSA-N47.7Ex 47.73(BP est) -67.30(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1 -67.3Pred
OCC[AsH2]18018121.999C2H7AsO2-arsaneylethan-1-olN114OCC[As]([H])([H])InChI=1S/C2H7AsO/c3-1-2-4/h4H,1-3H2InChIKey=JMQIWRPHZPGTJP-UHFFFAOYSA-N136.6Ex 136.56(BP est) -13.80(MP est) ----(BP exp) ----(MP exp) OCC[As]([H])([H]) -13.8Pred
O[As](O)CF18019141.961CH4AsFO2(fluoromethyl)arsonous acidN95O[As](O)CFInChI=1S/CH4AsFO2/c3-1-2(4)5/h4-5H,1H2InChIKey=GOZJZENSLXYOSE-UHFFFAOYSA-N222.2Ex 222.20(BP est) 19.90(MP est) ----(BP exp) ----(MP exp) O[As](O)CF 19.9Pred
[AsH2]C(C)F18020123.99C2H6AsF(1-fluoroethyl)arsaneN104[As]([H])([H])C(C)FInChI=1S/C2H6AsF/c1-2(3)4/h2H,3H2,1H3InChIKey=KGBHPHQHKHNUAY-UHFFFAOYSA-N32.3Ex 32.32(BP est) -81.85(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C)F -81.9Pred
[AsH2]CCF18021123.99C2H6AsF(2-fluoroethyl)arsaneN104[As]([H])([H])CCFInChI=1S/C2H6AsF/c3-1-2-4/h1-3H2InChIKey=JRHQTJGEAFVASQ-UHFFFAOYSA-N48.1Ex 48.10(BP est) -69.74(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCF -69.7Pred
C[AsH]CF18022123.99C2H6AsF(fluoromethyl)(methyl)arsaneN104C[As]([H])CFInChI=1S/C2H6AsF/c1-3-2-4/h3H,2H2,1H3InChIKey=BGSNOBSQAVASDZ-UHFFFAOYSA-N45.7Ex 45.70(BP est) -78.62(MP est) ----(BP exp) ----(MP exp) C[As]([H])CF -78.6Pred
C#C[AsH]C#C18023125.99C4H3AsdiethynylarsaneN85C#C[As]([H])C#CInChI=1S/C4H3As/c1-3-5-4-2/h1-2,5HInChIKey=SPRPKNYAMLPQBV-UHFFFAOYSA-N110.3Ex 110.31(BP est) -1.82(MP est) ----(BP exp) ----(MP exp) C#C[As]([H])C#C -1.8Pred
ClC[AsH2]18024126.415CH4AsCl(chloromethyl)arsaneN73ClC[As]([H])([H])InChI=1S/CH4AsCl/c2-1-3/h1-2H2InChIKey=GYAOTMWLMBFNBJ-UHFFFAOYSA-N87.9Ex 87.91(BP est) -49.09(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])([H]) -49.1Pred
[AsH2]C(F)F18025127.953CH3AsF2(difluoromethyl)arsaneN74[As]([H])([H])C(F)FInChI=1S/CH3AsF2/c2-1(3)4/h1H,2H2InChIKey=DYINYODHGZFIOR-UHFFFAOYSA-N8.1Ex 8.09(BP est) -94.26(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)F -94.3Pred
C#C[As]1CC118026128.006C4H5As1-ethynylarsiraneN105C#C[As]1CC1InChI=1S/C4H5As/c1-2-5-3-4-5/h1H,3-4H2InChIKey=SEWYQPRXPGOHNG-UHFFFAOYSA-N108.5Ex 108.53(BP est) -21.16(MP est) ----(BP exp) ----(MP exp) C#C[As]1CC1 -21.2Pred
[AsH]1C=CC=C118027128.006C4H5As1H-arsoleN105[As]([H])1C=CC=C1InChI=1S/C4H5As/c1-2-4-5-3-1/h1-5HInChIKey=NXHAKHHKDBVHPV-UHFFFAOYSA-N113.0Ex 112.96(BP est) -37.92(MP est) ----(BP exp) ----(MP exp) [As]([H])1C=CC=C1 -37.9Pred
C=C[AsH]C#C18028128.006C4H5Asethynyl(vinyl)arsaneN105C=C[As]([H])C#CInChI=1S/C4H5As/c1-3-5-4-2/h1,4-5H,2H2InChIKey=FTAZHSDWUOHCPY-UHFFFAOYSA-N100.2Ex 100.17(BP est) -29.14(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C#C -29.1Pred
O[As](O)CC#C18029147.993C3H5AsO2prop-2-yn-1-ylarsonous acidN116O[As](O)CC#CInChI=1S/C3H5AsO2/c1-2-3-4(5)6/h1,5-6H,3H2InChIKey=ZOQCIVULKXCJGY-UHFFFAOYSA-N262.4Ex 262.43(BP est) 57.27(MP est) ----(BP exp) ----(MP exp) O[As](O)CC#C 57.3Pred
C1=N[AsH]C=N118030129.982C2H3AsN22H-1,4,2-diazarsoleN85C1=N[As]([H])C=N1InChI=1S/C2H3AsN2/c1-3-5-2-4-1/h1-3HInChIKey=DRMGBVLLFYLFKH-UHFFFAOYSA-N142.4Ex 142.36(BP est) 0.20(MP est) ----(BP exp) ----(MP exp) C1=N[As]([H])C=N1 0.2Pred
C[As]1CC=C118031130.022C4H7As1-methyl-1,2-dihydroarseteN125C[As]1CC=C1InChI=1S/C4H7As/c1-5-3-2-4-5/h2-3H,4H2,1H3InChIKey=JWHHRRNJRCMVKO-UHFFFAOYSA-N105.5Ex 105.49(BP est) -46.91(MP est) ----(BP exp) ----(MP exp) C[As]1CC=C1 -46.9Pred
C=C[As]1CC118032130.022C4H7As1-vinylarsiraneN125C=C[As]1CC1InChI=1S/C4H7As/c1-2-5-3-4-5/h2H,1,3-4H2InChIKey=CCCIJYBZLCRYFI-UHFFFAOYSA-N98.4Ex 98.36(BP est) -48.49(MP est) ----(BP exp) ----(MP exp) C=C[As]1CC1 -48.5Pred
[AsH]1CCC=C118033130.022C4H7As2,3-dihydro-1H-arsoleN125[As]([H])1CCC=C1InChI=1S/C4H7As/c1-2-4-5-3-1/h1,3,5H,2,4H2InChIKey=XZHIHZQOMUEJEK-UHFFFAOYSA-N109.9Ex 109.86(BP est) -39.21(MP est) ----(BP exp) ----(MP exp) [As]([H])1CCC=C1 -39.2Pred
C#CCC[AsH2]18034130.022C4H7Asbut-3-yn-1-ylarsaneN125C#CCC[As]([H])([H])InChI=1S/C4H7As/c1-2-3-4-5/h1H,3-5H2InChIKey=RCWAOBUPVIPPNS-UHFFFAOYSA-N104.2Ex 104.17(BP est) -18.91(MP est) ----(BP exp) ----(MP exp) C#CCC[As]([H])([H]) -18.9Pred
CC(C#C)[AsH2]18035130.022C4H7Asbut-3-yn-2-ylarsaneN125CC(C#C)[As]([H])([H])InChI=1S/C4H7As/c1-3-4(2)5/h1,4H,5H2,2H3InChIKey=FOFLPQHFXWTYPE-UHFFFAOYSA-N89.6Ex 89.62(BP est) -30.66(MP est) ----(BP exp) ----(MP exp) CC(C#C)[As]([H])([H]) -30.7Pred
C=C=C(C)[AsH2]18036130.022C4H7Asbuta-2,3-dien-2-ylarsaneN125C=C=C(C)[As]([H])([H])InChI=1S/C4H7As/c1-3-4(2)5/h1,5H2,2H3InChIKey=YDBTXXNRHVBHNT-UHFFFAOYSA-N89.2Ex 89.22(BP est) -51.36(MP est) ----(BP exp) ----(MP exp) C=C=C(C)[As]([H])([H]) -51.4Pred
[AsH2]C1C=CC118037130.022C4H7Ascyclobut-2-en-1-ylarsaneN125[As]([H])([H])C1C=CC1InChI=1S/C4H7As/c5-4-2-1-3-4/h1-2,4H,3,5H2InChIKey=RDFANEVXKWOFKA-UHFFFAOYSA-N105.2Ex 105.17(BP est) -34.51(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C1C=CC1 -34.5Pred
C=C[AsH]C=C18038130.022C4H7AsdivinylarsaneN125C=C[As]([H])C=CInChI=1S/C4H7As/c1-3-5-4-2/h3-5H,1-2H2InChIKey=SOWRWIVFJXHAIP-UHFFFAOYSA-N89.9Ex 89.86(BP est) -56.52(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C=C -56.5Pred
CC[AsH]C#C18039130.022C4H7Asethyl(ethynyl)arsaneN125CC[As]([H])C#CInChI=1S/C4H7As/c1-3-5-4-2/h1,5H,4H2,2H3InChIKey=VBXOXAINHXEICL-UHFFFAOYSA-N102.0Ex 101.96(BP est) -27.74(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C#C -27.7Pred
C[As](C#C)C18040130.022C4H7AsethynyldimethylarsaneN125C[As](C#C)CInChI=1S/C4H7As/c1-4-5(2)3/h1H,2-3H3InChIKey=QQNGMHOTUWSNTA-UHFFFAOYSA-N99.7Ex 99.74(BP est) -36.57(MP est) ----(BP exp) ----(MP exp) C[As](C#C)C -36.6Pred
CC#C[AsH]C18041130.022C4H7Asmethyl(prop-1-yn-1-yl)arsaneN125CC#C[As]([H])CInChI=1S/C4H7As/c1-3-4-5-2/h5H,1-2H3InChIKey=LPBQPFOHZVGHHX-UHFFFAOYSA-N110.8Ex 110.84(BP est) 4.42(MP est) ----(BP exp) ----(MP exp) CC#C[As]([H])C 4.4Pred
C[AsH]CC#C18042130.022C4H7Asmethyl(prop-2-yn-1-yl)arsaneN125C[As]([H])CC#CInChI=1S/C4H7As/c1-3-4-5-2/h1,5H,4H2,2H3InChIKey=DDGNWPGLMFQBSO-UHFFFAOYSA-N102.0Ex 101.96(BP est) -27.74(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC#C -27.7Pred
O[As](O)CC=C18043150.009C3H7AsO2allylarsonous acidN136O[As](O)CC=CInChI=1S/C3H7AsO2/c1-2-3-4(5)6/h2,5-6H,1,3H2InChIKey=RBHSBLQWRWGCJR-UHFFFAOYSA-N255.2Ex 255.18(BP est) 39.63(MP est) ----(BP exp) ----(MP exp) O[As](O)CC=C 39.6Pred
C1N=N[AsH]C118044131.998C2H5AsN24,5-dihydro-3H-1,2,3-diazarsoleN105C1N=N[As]([H])C1InChI=1S/C2H5AsN2/c1-2-4-5-3-1/h3H,1-2H2InChIKey=MQOHTMJFHXMKOD-UHFFFAOYSA-N139.4Ex 139.41(BP est) 29.69(MP est) ----(BP exp) ----(MP exp) C1N=N[As]([H])C1 29.7Pred
CC1([AsH2])CC118045132.038C4H9As(1-methylcyclopropyl)arsaneN145CC1([As]([H])([H]))CC1InChI=1S/C4H9As/c1-4(5)2-3-4/h2-3,5H2,1H3InChIKey=GVJUCEPWAVIZLM-UHFFFAOYSA-N87.0Ex 87.03(BP est) -26.48(MP est) ----(BP exp) ----(MP exp) CC1([As]([H])([H]))CC1 -26.5Pred
C=C(C[AsH2])C18046132.038C4H9As(2-methylallyl)arsaneN145C=C(C[As]([H])([H]))CInChI=1S/C4H9As/c1-4(2)3-5/h1,3,5H2,2H3InChIKey=JIXOAYAXIXYERJ-UHFFFAOYSA-N87.3Ex 87.27(BP est) -55.19(MP est) ----(BP exp) ----(MP exp) C=C(C[As]([H])([H]))C -55.2Pred
[AsH2]CC1CC118047132.038C4H9As(cyclopropylmethyl)arsaneN145[As]([H])([H])CC1CC1InChI=1S/C4H9As/c5-3-4-1-2-4/h4H,1-3,5H2InChIKey=KDJRENRXXQZZCL-UHFFFAOYSA-N99.8Ex 99.84(BP est) -34.69(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC1CC1 -34.7Pred
CC[As]1CC118048132.038C4H9As1-ethylarsiraneN145CC[As]1CC1InChI=1S/C4H9As/c1-2-5-3-4-5/h2-4H2,1H3InChIKey=ANPKBWFVGHREBE-UHFFFAOYSA-N100.2Ex 100.16(BP est) -47.09(MP est) ----(BP exp) ----(MP exp) CC[As]1CC1 -47.1Pred
C[As]1CCC118049132.038C4H9As1-methylarsetaneN145C[As]1CCC1InChI=1S/C4H9As/c1-5-3-2-4-5/h2-4H2,1H3InChIKey=IZQMRTJYCTUBRC-UHFFFAOYSA-N102.4Ex 102.35(BP est) -48.20(MP est) ----(BP exp) ----(MP exp) C[As]1CCC1 -48.2Pred
CCC1[AsH]C118050132.038C4H9As2-ethylarsiraneN145CCC1[As]([H])C1InChI=1S/C4H9As/c1-2-4-3-5-4/h4-5H,2-3H2,1H3InChIKey=DJOPDLBNQAYUQP-UHFFFAOYSA-N95.4Ex 95.40(BP est) -42.41(MP est) ----(BP exp) ----(MP exp) CCC1[As]([H])C1 -42.4Pred
C[AsH]CC=C18051132.038C4H9Asallyl(methyl)arsaneN145C[As]([H])CC=CInChI=1S/C4H9As/c1-3-4-5-2/h3,5H,1,4H2,2H3InChIKey=COWQMSAPLSMUMZ-UHFFFAOYSA-N91.7Ex 91.68(BP est) -55.10(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC=C -55.1Pred
[AsH2]CC=CC18052132.038C4H9Asbut-2-en-1-ylarsaneN145[As]([H])([H])CC=CCInChI=1S/C4H9As/c1-2-3-4-5/h2-3H,4-5H2,1H3InChIKey=PHQVHGVHQAUYPD-UHFFFAOYSA-N103.1Ex 103.14(BP est) -45.23(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=CC -45.2Pred
C=CCC[AsH2]18053132.038C4H9Asbut-3-en-1-ylarsaneN145C=CCC[As]([H])([H])InChI=1S/C4H9As/c1-2-3-4-5/h2H,1,3-5H2InChIKey=PYGHPRPMDXVLFO-UHFFFAOYSA-N93.9Ex 93.93(BP est) -46.26(MP est) ----(BP exp) ----(MP exp) C=CCC[As]([H])([H]) -46.3Pred
CC(C=C)[AsH2]18054132.038C4H9Asbut-3-en-2-ylarsaneN145CC(C=C)[As]([H])([H])InChI=1S/C4H9As/c1-3-4(2)5/h3-4H,1,5H2,2H3InChIKey=MLHXWVBPXJHGOP-UHFFFAOYSA-N79.1Ex 79.14(BP est) -58.08(MP est) ----(BP exp) ----(MP exp) CC(C=C)[As]([H])([H]) -58.1Pred
[AsH2]C1CCC118055132.038C4H9AscyclobutylarsaneN145[As]([H])([H])C1CCC1InChI=1S/C4H9As/c5-4-2-1-3-4/h4H,1-3,5H2InChIKey=ZRWYJGMLLJQITK-UHFFFAOYSA-N102.0Ex 102.04(BP est) -35.81(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C1CCC1 -35.8Pred
C[AsH]C1CC118056132.038C4H9Ascyclopropyl(methyl)arsaneN145C[As]([H])C1CC1InChI=1S/C4H9As/c1-5-4-2-3-4/h4-5H,2-3H2,1H3InChIKey=CEYRCHNPZIEGQI-UHFFFAOYSA-N97.6Ex 97.61(BP est) -43.52(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1CC1 -43.5Pred
C[As](C=C)C18057132.038C4H9Asdimethyl(vinyl)arsaneN145C[As](C=C)CInChI=1S/C4H9As/c1-4-5(2)3/h4H,1H2,2-3H3InChIKey=VSAHOCVUSNZZEQ-UHFFFAOYSA-N89.4Ex 89.43(BP est) -63.95(MP est) ----(BP exp) ----(MP exp) C[As](C=C)C -64Pred
CC[AsH]C=C18058132.038C4H9Asethyl(vinyl)arsaneN145CC[As]([H])C=CInChI=1S/C4H9As/c1-3-5-4-2/h3,5H,1,4H2,2H3InChIKey=WHNGALDQPAMFDH-UHFFFAOYSA-N91.7Ex 91.68(BP est) -55.10(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C=C -55.1Pred
C1[AsH]CCC118059132.038C4H9AsarsolaneN145C1[As]([H])CCC1InChI=1S/C4H9As/c1-2-4-5-3-1/h5H,1-4H2InChIKey=TZQRFYAPJLTTSP-UHFFFAOYSA-N106.8Ex 106.75(BP est) -40.50(MP est) ----(BP exp) ----(MP exp) C1[As]([H])CCC1 -40.5Pred
C#C[As](O)O18060133.966C2H3AsO2ethynylarsonous acidN85C#C[As](O)OInChI=1S/C2H3AsO2/c1-2-3(4)5/h1,4-5HInChIKey=PWOMIHDEEIYADU-UHFFFAOYSA-N245.1Ex 245.14(BP est) 46.78(MP est) ----(BP exp) ----(MP exp) C#C[As](O)O 46.8Pred
[AsH2]C(C#C)F18061133.985C3H4AsF(1-fluoroprop-2-yn-1-yl)arsaneN95[As]([H])([H])C(C#C)FInChI=1S/C3H4AsF/c1-2-3(4)5/h1,3H,4H2InChIKey=AAHWXHMTSVHCEN-UHFFFAOYSA-N67.2Ex 67.22(BP est) -42.53(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#C)F -42.5Pred
[AsH2]CC#CF18062133.985C3H4AsF(3-fluoroprop-2-yn-1-yl)arsaneN95[As]([H])([H])CC#CFInChI=1S/C3H4AsF/c4-2-1-3-5/h2,4H2InChIKey=CFYHWFHBEOMPIM-UHFFFAOYSA-N91.4Ex 91.42(BP est) 1.59(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC#CF 1.6Pred
C[AsH]C#CF18063133.985C3H4AsF(fluoroethynyl)(methyl)arsaneN95C[As]([H])C#CFInChI=1S/C3H4AsF/c1-4-2-3-5/h4H,1H3InChIKey=TYVUKZYVMWXVCG-UHFFFAOYSA-N89.2Ex 89.16(BP est) -7.25(MP est) ----(BP exp) ----(MP exp) C[As]([H])C#CF -7.3Pred
FC1[AsH]C=C118064133.985C3H4AsF2-fluoro-1,2-dihydroarseteN95FC1[As]([H])C=C1InChI=1S/C3H4AsF/c5-3-1-2-4-3/h1-4HInChIKey=LACXZFSFQRNXLA-UHFFFAOYSA-N78.8Ex 78.75(BP est) -53.99(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C=C1 -54Pred
FC1=C[AsH]C118065133.985C3H4AsF3-fluoro-1,2-dihydroarseteN95FC1=C[As]([H])C1InChI=1S/C3H4AsF/c5-3-1-4-2-3/h1,4H,2H2InChIKey=BPSSUNYZJNHCEE-UHFFFAOYSA-N83.8Ex 83.80(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) FC1=C[As]([H])C1 -44.1Pred
FC1=CC[AsH]118066133.985C3H4AsF4-fluoro-1,2-dihydroarseteN95FC1=CC[As]([H])1InChI=1S/C3H4AsF/c5-3-1-2-4-3/h1,4H,2H2InChIKey=VMHZABYIBORTGR-UHFFFAOYSA-N83.8Ex 83.80(BP est) -44.14(MP est) ----(BP exp) ----(MP exp) FC1=CC[As]([H])1 -44.1Pred
FC[AsH]C#C18067133.985C3H4AsFethynyl(fluoromethyl)arsaneN95FC[As]([H])C#CInChI=1S/C3H4AsF/c1-2-4-3-5/h1,4H,3H2InChIKey=OZIVUBUGZHQXDD-UHFFFAOYSA-N80.0Ex 79.98(BP est) -39.50(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C#C -39.5Pred
C1OC[AsH]C118068134.01C3H7AsO1,3-oxarsolaneN125C1OC[As]([H])C1InChI=1S/C3H7AsO/c1-2-5-3-4-1/h4H,1-3H2InChIKey=ANFAHQAACBTOHS-UHFFFAOYSA-N113.1Ex 113.13(BP est) -30.98(MP est) ----(BP exp) ----(MP exp) C1OC[As]([H])C1 -31Pred
O=[As]1(C)CC118069134.01C3H7AsO1-methylarsirane 1-oxideN125O=[As]1(C)CC1InChI=1S/C3H7AsO/c1-4(5)2-3-4/h2-3H2,1H3InChIKey=LOSVJWIBCJAMAJ-UHFFFAOYSA-N105.9Ex 105.86(BP est) 3.95(MP est) ----(BP exp) ----(MP exp) O=[As]1(C)CC1 4Pred
O[As](O)CCC18070152.025C3H9AsO2propylarsonous acidN156O[As](O)CCCInChI=1S/C3H9AsO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3InChIKey=JDXXFUXGGRXSJX-UHFFFAOYSA-N256.5Ex 256.47(BP est) 40.88(MP est) ----(BP exp) ----(MP exp) O[As](O)CCC 40.9Pred
CCCC[AsH2]18071134.054C4H11AsbutylarsaneN165CCCC[As]([H])([H])InChI=1S/C4H11As/c1-2-3-4-5/h2-5H2,1H3InChIKey=IKNSKEGWDWIIJB-UHFFFAOYSA-N95.7Ex 95.74(BP est) -44.86(MP est) ----(BP exp) ----(MP exp) CCCC[As]([H])([H]) -44.9Pred
CC[AsH]CC18072134.054C4H11AsdiethylarsaneN165CC[As]([H])CCInChI=1S/C4H11As/c1-3-5-4-2/h5H,3-4H2,1-2H3InChIKey=UETQTDFFVOJVKY-UHFFFAOYSA-N105.0Ex 93.50(BP est) -53.69(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CC -53.7Pred
C[As](C)CC18073134.054C4H11AsethyldimethylarsaneN165C[As](C)CCInChI=1S/C4H11As/c1-4-5(2)3/h4H2,1-3H3InChIKey=MVYYIFZQBWAJJG-UHFFFAOYSA-N91.3Ex 91.25(BP est) -62.54(MP est) ----(BP exp) ----(MP exp) C[As](C)CC -62.5Pred
CC(C)C[AsH2]18074134.054C4H11AsisobutylarsaneN165CC(C)C[As]([H])([H])InChI=1S/C4H11As/c1-4(2)3-5/h4H,3,5H2,1-2H3InChIKey=CAPAQZBRMPASPK-UHFFFAOYSA-N81.0Ex 80.99(BP est) -56.66(MP est) ----(BP exp) ----(MP exp) CC(C)C[As]([H])([H]) -56.7Pred
C[AsH]C(C)C18075134.054C4H11Asisopropyl(methyl)arsaneN165C[As]([H])C(C)CInChI=1S/C4H11As/c1-4(2)5-3/h4-5H,1-3H3InChIKey=PIXRYYKYBVHPJA-UHFFFAOYSA-N78.7Ex 78.70(BP est) -65.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)C -65.5Pred
C[AsH]CCC18076134.054C4H11Asmethyl(propyl)arsaneN165C[As]([H])CCCInChI=1S/C4H11As/c1-3-4-5-2/h5H,3-4H2,1-2H3InChIKey=ZHDGVIHQAOUIFJ-UHFFFAOYSA-N93.5Ex 93.50(BP est) -53.69(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCC -53.7Pred
CC(CC)[AsH2]18077134.054C4H11Assec-butylarsaneN165CC(CC)[As]([H])([H])InChI=1S/C4H11As/c1-3-4(2)5/h4H,3,5H2,1-2H3InChIKey=DYFNMWAAEMCIBX-UHFFFAOYSA-N81.0Ex 80.99(BP est) -56.66(MP est) ----(BP exp) ----(MP exp) CC(CC)[As]([H])([H]) -56.7Pred
CC([AsH2])(C)C18078134.054C4H11Astert-butylarsaneN165CC([As]([H])([H]))(C)CInChI=1S/C4H11As/c1-4(2,3)5/h5H2,1-3H3InChIKey=OHCFIQBNVPRBOO-UHFFFAOYSA-N71.1Ex 71.12(BP est) -50.83(MP est) ----(BP exp) ----(MP exp) CC([As]([H])([H]))(C)C -50.8Pred
NC(C[AsH2])=O18079134.998C2H6AsNO2-arsaneylacetamideN115NC(C[As]([H])([H]))=OInChI=1S/C2H6AsNO/c3-1-2(4)5/h1,3H2,(H2,4,5)InChIKey=DBRQSLGCXOTQPH-UHFFFAOYSA-N235.8Ex 235.77(BP est) 63.15(MP est) ----(BP exp) ----(MP exp) NC(C[As]([H])([H]))=O 63.2Pred
O[As](O)NCC18080153.013C2H8AsNO2ethylarsenamidous acidN146O[As](O)NCCInChI=1S/C2H8AsNO2/c1-2-4-3(5)6/h4-6H,2H2,1H3InChIKey=GXYNMIHLSITLCY-UHFFFAOYSA-N271.0Ex 271.04(BP est) 58.76(MP est) ----(BP exp) ----(MP exp) O[As](O)NCC 58.8Pred
O[As](O)C(F)=C18081153.972C2H4AsFO2(1-fluorovinyl)arsonous acidN106O[As](O)C(F)=CInChI=1S/C2H4AsFO2/c1-2(4)3(5)6/h5-6H,1H2InChIKey=GGIFSDVNNGFOQO-UHFFFAOYSA-N234.3Ex 234.32(BP est) 21.22(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)=C 21.2Pred
O[As](O)C=CF18082153.972C2H4AsFO2(2-fluorovinyl)arsonous acidN106O[As](O)C=CFInChI=1S/C2H4AsFO2/c4-2-1-3(5)6/h1-2,5-6HInChIKey=URRCJIMSBLTEPE-UHFFFAOYSA-N246.1Ex 246.11(BP est) 29.98(MP est) ----(BP exp) ----(MP exp) O[As](O)C=CF 30Pred
O=[As]1(O)CC118083135.982C2H5AsO21-hydroxyarsirane 1-oxideN105O=[As]1(O)CC1InChI=1S/C2H5AsO2/c4-3(5)1-2-3/h1-2H2,(H,4,5)InChIKey=WUZSZPICCXEORE-UHFFFAOYSA-N183.2Ex 183.23(BP est) 22.32(MP est) ----(BP exp) ----(MP exp) O=[As]1(O)CC1 22.3Pred
OC(C[AsH2])=O18084135.982C2H5AsO22-arsaneylacetic acidN105OC(C[As]([H])([H]))=OInChI=1S/C2H5AsO2/c3-1-2(4)5/h1,3H2,(H,4,5)InChIKey=AODCJSCDXFBKDT-UHFFFAOYSA-N187.4Ex 187.39(BP est) 23.35(MP est) ----(BP exp) ----(MP exp) OC(C[As]([H])([H]))=O 23.4Pred
[AsH2]C(C=C)F18085136.001C3H6AsF(1-fluoroallyl)arsaneN115[As]([H])([H])C(C=C)FInChI=1S/C3H6AsF/c1-2-3(4)5/h2-3H,1,4H2InChIKey=CVPATHASEWBNLL-UHFFFAOYSA-N56.4Ex 56.40(BP est) -70.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=C)F -70.1Pred
C[AsH]C(F)=C18086136.001C3H6AsF(1-fluorovinyl)(methyl)arsaneN115C[As]([H])C(F)=CInChI=1S/C3H6AsF/c1-3(5)4-2/h4H,1H2,2H3InChIKey=GVVXNPPABHEBAG-UHFFFAOYSA-N62.5Ex 62.46(BP est) -75.96(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)=C -76Pred
[AsH2]CC(F)=C18087136.001C3H6AsF(2-fluoroallyl)arsaneN115[As]([H])([H])CC(F)=CInChI=1S/C3H6AsF/c1-3(5)2-4/h1-2,4H2InChIKey=ZRZZNEUCLGVKAH-UHFFFAOYSA-N64.8Ex 64.80(BP est) -67.09(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)=C -67.1Pred
C[AsH]C=CF18088136.001C3H6AsF(2-fluorovinyl)(methyl)arsaneN115C[As]([H])C=CFInChI=1S/C3H6AsF/c1-4-2-3-5/h2-4H,1H3InChIKey=SKDCEKKYBQBVTR-UHFFFAOYSA-N78.9Ex 78.92(BP est) -65.83(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=CF -65.8Pred
[AsH2]CC=CF18089136.001C3H6AsF(3-fluoroallyl)arsaneN115[As]([H])([H])CC=CFInChI=1S/C3H6AsF/c4-2-1-3-5/h1,3H,2,4H2InChIKey=ZIQLULHLRURBEQ-UHFFFAOYSA-N81.2Ex 81.21(BP est) -56.98(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=CF -57Pred
FC[AsH]C=C18090136.001C3H6AsF(fluoromethyl)(vinyl)arsaneN115FC[As]([H])C=CInChI=1S/C3H6AsF/c1-2-4-3-5/h2,4H,1,3H2InChIKey=IXWVZFPHNAQTGY-UHFFFAOYSA-N69.4Ex 69.36(BP est) -66.96(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C=C -67Pred
FC[As]1CC118091136.001C3H6AsF1-(fluoromethyl)arsiraneN115FC[As]1CC1InChI=1S/C3H6AsF/c5-3-4-1-2-4/h1-3H2InChIKey=DIOBWKGHNJNFDW-UHFFFAOYSA-N78.1Ex 78.12(BP est) -58.86(MP est) ----(BP exp) ----(MP exp) FC[As]1CC1 -58.9Pred
C[As]1CC1F18092136.001C3H6AsF2-fluoro-1-methylarsiraneN115C[As]1CC1FInChI=1S/C3H6AsF/c1-4-2-3(4)5/h3H,2H2,1H3InChIKey=RWYSUHHDUGBIDJ-UHFFFAOYSA-N70.9Ex 70.88(BP est) -63.09(MP est) ----(BP exp) ----(MP exp) C[As]1CC1F -63.1Pred
FC1[AsH]CC118093136.001C3H6AsF2-fluoroarsetaneN115FC1[As]([H])CC1InChI=1S/C3H6AsF/c5-3-1-2-4-3/h3-4H,1-2H2InChIKey=RRJKDEDDLFFWHK-UHFFFAOYSA-N75.5Ex 75.49(BP est) -55.32(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])CC1 -55.3Pred
FC1C[AsH]C118094136.001C3H6AsF3-fluoroarsetaneN115FC1C[As]([H])C1InChI=1S/C3H6AsF/c5-3-1-4-2-3/h3-4H,1-2H2InChIKey=UGMTUKHXDAUWAS-UHFFFAOYSA-N75.5Ex 75.49(BP est) -55.32(MP est) ----(BP exp) ----(MP exp) FC1C[As]([H])C1 -55.3Pred
OC[As](C)C18095136.026C3H9AsO(dimethylarsaneyl)methanolN145OC[As](C)CInChI=1S/C3H9AsO/c1-4(2)3-5/h5H,3H2,1-2H3InChIKey=UDEFKEUPOYCTBN-UHFFFAOYSA-N154.7Ex 154.69(BP est) -19.24(MP est) ----(BP exp) ----(MP exp) OC[As](C)C -19.2Pred
CC(C[AsH2])O18096136.026C3H9AsO1-arsaneylpropan-2-olN145CC(C[As]([H])([H]))OInChI=1S/C3H9AsO/c1-3(5)2-4/h3,5H,2,4H2,1H3InChIKey=HXQPHMNVQUAUQA-UHFFFAOYSA-N138.2Ex 138.23(BP est) -15.17(MP est) ----(BP exp) ----(MP exp) CC(C[As]([H])([H]))O -15.2Pred
O=[As](C)(C)C18097136.026C3H9AsOtrimethylarsine oxideN145O=[As](C)(C)CInChI=1S/C3H9AsO/c1-4(2,3)5/h1-3H3InChIKey=JWOWJQPAYGEFFK-UHFFFAOYSA-N97.0Ex 97.03(BP est) -11.48(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)C -11.5Pred
O[As](O)C(C)F18098155.988C2H6AsFO2(1-fluoroethyl)arsonous acidN126O[As](O)C(C)FInChI=1S/C2H6AsFO2/c1-2(4)3(5)6/h2,5-6H,1H3InChIKey=OXBGQCVPBYAUPK-UHFFFAOYSA-N229.6Ex 229.62(BP est) 20.21(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C)F 20.2Pred
O[As](O)CCF18099155.988C2H6AsFO2(2-fluoroethyl)arsonous acidN126O[As](O)CCFInChI=1S/C2H6AsFO2/c4-2-1-3(5)6/h5-6H,1-2H2InChIKey=NLIFHOGRQYFGOA-UHFFFAOYSA-N240.6Ex 240.62(BP est) 30.92(MP est) ----(BP exp) ----(MP exp) O[As](O)CCF 30.9Pred
O=[As](C)(C)O18100137.998C2H7AsO2dimethylarsinic acidN125O=[As](C)(C)OInChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)InChIKey=OGGXGZAMXPVRFZ-UHFFFAOYSA-N175.6Ex 175.56(BP est) 12.53(MP est) ----(BP exp) 195.00(MP exp) O=[As](C)(C)O 195Expt
OC[AsH]CO18101137.998C2H7AsO2arsanediyldimethanolN125OC[As]([H])COInChI=1S/C2H7AsO2/c4-1-3-2-5/h3-5H,1-2H2InChIKey=TVIXXRXROLBTHD-UHFFFAOYSA-N213.1Ex 213.11(BP est) 24.11(MP est) ----(BP exp) ----(MP exp) OC[As]([H])CO 24.1Pred
C[AsH]C(C)F18102138.017C3H8AsF(1-fluoroethyl)(methyl)arsaneN135C[As]([H])C(C)FInChI=1S/C3H8AsF/c1-3(5)4-2/h3-4H,1-2H3InChIKey=PQEZKQJZWZECQH-UHFFFAOYSA-N56.0Ex 55.95(BP est) -77.50(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)F -77.5Pred
[AsH2]C(CC)F18103138.017C3H8AsF(1-fluoropropyl)arsaneN135[As]([H])([H])C(CC)FInChI=1S/C3H8AsF/c1-2-3(4)5/h3H,2,4H2,1H3InChIKey=PJJQIMKXLILXMM-UHFFFAOYSA-N58.3Ex 58.31(BP est) -68.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CC)F -68.6Pred
C[AsH]CCF18104138.017C3H8AsF(2-fluoroethyl)(methyl)arsaneN135C[As]([H])CCFInChI=1S/C3H8AsF/c1-4-2-3-5/h4H,2-3H2,1H3InChIKey=WWSDJDUTYWDYPN-UHFFFAOYSA-N71.2Ex 71.23(BP est) -65.53(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCF -65.5Pred
[AsH2]CC(C)F18105138.017C3H8AsF(2-fluoropropyl)arsaneN135[As]([H])([H])CC(C)FInChI=1S/C3H8AsF/c1-3(5)2-4/h3H,2,4H2,1H3InChIKey=SGXCJPXBFAUHJY-UHFFFAOYSA-N58.3Ex 58.31(BP est) -68.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(C)F -68.6Pred
[AsH2]CCCF18106138.017C3H8AsF(3-fluoropropyl)arsaneN135[As]([H])([H])CCCFInChI=1S/C3H8AsF/c4-2-1-3-5/h1-4H2InChIKey=MGXOJULRBKVVHC-UHFFFAOYSA-N73.6Ex 73.55(BP est) -56.67(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCCF -56.7Pred
C[As](CF)C18107138.017C3H8AsF(fluoromethyl)dimethylarsaneN135C[As](CF)CInChI=1S/C3H8AsF/c1-4(2)3-5/h3H2,1-2H3InChIKey=CLQCUVWQWGNLTE-UHFFFAOYSA-N68.9Ex 68.91(BP est) -74.40(MP est) ----(BP exp) ----(MP exp) C[As](CF)C -74.4Pred
FC[AsH]CC18108138.017C3H8AsFethyl(fluoromethyl)arsaneN135FC[As]([H])CCInChI=1S/C3H8AsF/c1-2-4-3-5/h4H,2-3H2,1H3InChIKey=ZJRMCZMZQRKSCZ-UHFFFAOYSA-N71.2Ex 71.23(BP est) -65.53(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CC -65.5Pred
CCS[AsH2]18109138.06C2H7AsS(ethylthio)arsaneN114CCS[As]([H])([H])InChI=1S/C2H7AsS/c1-2-4-3/h2-3H2,1H3InChIKey=WDYYRIQZZFEYJX-UHFFFAOYSA-N116.4Ex 116.35(BP est) -32.91(MP est) ----(BP exp) ----(MP exp) CCS[As]([H])([H]) -32.9Pred
[AsH2]C(Cl)=C18110138.426C2H4AsCl(1-chlorovinyl)arsaneN84[As]([H])([H])C(Cl)=CInChI=1S/C2H4AsCl/c1-2(3)4/h1,3H2InChIKey=JUYVMEPZHRINRA-UHFFFAOYSA-N74.9Ex 74.90(BP est) -55.11(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C -55.1Pred
[AsH2]C=CCl18111138.426C2H4AsCl(2-chlorovinyl)arsaneN84[As]([H])([H])C=CClInChI=1S/C2H4AsCl/c3-1-2-4/h1-2H,3H2InChIKey=UQNBAKDRMIJNLE-UHFFFAOYSA-N91.1Ex 91.07(BP est) -45.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=CCl -45.1Pred
ClC1[AsH]C118112138.426C2H4AsCl2-chloroarsiraneN84ClC1[As]([H])C1InChI=1S/C2H4AsCl/c4-2-1-3-2/h2-3H,1H2InChIKey=VJFKHXYCKZXEKU-UHFFFAOYSA-N98.6Ex 98.60(BP est) -37.79(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1 -37.8Pred
O=[As](N)(C)O18113138.986CH6AsNO2As-methylarsonamidic acidN115O=[As](N)(C)OInChI=1S/CH6AsNO2/c1-2(3,4)5/h1H3,(H3,3,4,5)InChIKey=JJHTWNZQWOMSRW-UHFFFAOYSA-N209.0Ex 209.00(BP est) 45.17(MP est) ----(BP exp) ----(MP exp) O=[As](N)(C)O 45.2Pred
N[As](N)(N)=O18114138.99AsH6N3Oarsoric triamideN115N[As](N)(N)=OInChI=1S/AsH6N3O/c2-1(3,4)5/h(H6,2,3,4,5)InChIKey=RPBNPTSFKUVYEZ-UHFFFAOYSA-N225.8Ex 576.85(BP est) 248.50(MP est) ----(BP exp) ----(MP exp) N[As](N)(N)=O 248.5Pred
[AsH2]C(F)=CF18115139.964C2H3AsF2(1,2-difluorovinyl)arsaneN85[As]([H])([H])C(F)=CFInChI=1S/C2H3AsF2/c3-2(5)1-4/h1H,3H2InChIKey=OPUJPICTYUZMHD-UHFFFAOYSA-N51.5Ex 51.53(BP est) -77.96(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=CF -78Pred
[AsH2]C=C(F)F18116139.964C2H3AsF2(2,2-difluorovinyl)arsaneN85[As]([H])([H])C=C(F)FInChI=1S/C2H3AsF2/c3-1-2(4)5/h1H,3H2InChIKey=MYXGMJSPQTVJDK-UHFFFAOYSA-N51.5Ex 51.53(BP est) -77.96(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(F)F -78Pred
FC1(F)[AsH]C118117139.964C2H3AsF22,2-difluoroarsiraneN85FC1(F)[As]([H])C1InChI=1S/C2H3AsF2/c4-2(5)1-3-2/h3H,1H2InChIKey=QVOYUGOGSOBHEQ-UHFFFAOYSA-N36.5Ex 36.51(BP est) -58.33(MP est) ----(BP exp) ----(MP exp) FC1(F)[As]([H])C1 -58.3Pred
FC1[AsH]C1F18118139.964C2H3AsF22,3-difluoroarsiraneN85FC1[As]([H])C1FInChI=1S/C2H3AsF2/c4-1-2(5)3-1/h1-3HInChIKey=LWEXYNQBHOMUBC-UHFFFAOYSA-N42.7Ex 42.74(BP est) -70.58(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1F -70.6Pred
O=[As](C)(O)O18119139.97CH5AsO3methylarsonic acidN105O=[As](C)(O)OInChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)InChIKey=QYPPRTNMGCREIM-UHFFFAOYSA-N243.1Ex 243.14(BP est) 54.52(MP est) ----(BP exp) 160.50(MP exp) O=[As](C)(O)O 160.5Expt
N[As](N)(O)=O18120139.974AsH5N2O2arsorodiamidic acidN105N[As](N)(O)=OInChI=1S/AsH5N2O2/c2-1(3,4)5/h(H5,2,3,4,5)InChIKey=WSZHETUJDPWHNV-UHFFFAOYSA-N228.9Ex 598.07(BP est) 258.41(MP est) ----(BP exp) ----(MP exp) N[As](N)(O)=O 258.4Pred
C#C[As]1CC=C118121140.017C5H5As1-ethynyl-1,2-dihydroarseteN116C#C[As]1CC=C1InChI=1S/C5H5As/c1-2-6-4-3-5-6/h1,3-4H,5H2InChIKey=CAMZZDCYPFXDTC-UHFFFAOYSA-N136.8Ex 136.84(BP est) -8.63(MP est) ----(BP exp) ----(MP exp) C#C[As]1CC=C1 -8.6Pred
C[As](C#C)C#C18122140.017C5H5Asdiethynyl(methyl)arsaneN116C[As](C#C)C#CInChI=1S/C5H5As/c1-4-6(3)5-2/h1-2H,3H3InChIKey=KAEMOJJHDVBLNA-UHFFFAOYSA-N131.4Ex 131.39(BP est) 1.79(MP est) ----(BP exp) ----(MP exp) C[As](C#C)C#C 1.8Pred
C#C[AsH]CC#C18123140.017C5H5Asethynyl(prop-2-yn-1-yl)arsaneN116C#C[As]([H])CC#CInChI=1S/C5H5As/c1-3-5-6-4-2/h1-2,6H,5H2InChIKey=AXSFUQPFTOQFMC-UHFFFAOYSA-N133.5Ex 133.49(BP est) 10.59(MP est) ----(BP exp) ----(MP exp) C#C[As]([H])CC#C 10.6Pred
C#CC(C#C)[AsH2]18124140.017C5H5Aspenta-1,4-diyn-3-ylarsaneN116C#CC(C#C)[As]([H])([H])InChI=1S/C5H5As/c1-3-5(6)4-2/h1-2,5H,6H2InChIKey=CQQKXPBPJILEOA-UHFFFAOYSA-N121.8Ex 121.77(BP est) 7.85(MP est) ----(BP exp) ----(MP exp) C#CC(C#C)[As]([H])([H]) 7.9Pred
O[As](O)CCl18125158.413CH4AsClO2(chloromethyl)arsonous acidN95O[As](O)CClInChI=1S/CH4AsClO2/c3-1-2(4)5/h4-5H,1H2InChIKey=UQJLALXNJFYFAR-UHFFFAOYSA-N267.9Ex 267.90(BP est) 47.91(MP est) ----(BP exp) ----(MP exp) O[As](O)CCl 47.9Pred
ClC(C)[AsH2]18126140.442C2H6AsCl(1-chloroethyl)arsaneN104ClC(C)[As]([H])([H])InChI=1S/C2H6AsCl/c1-2(3)4/h2H,3H2,1H3InChIKey=GBLSOZKFUFJWLL-UHFFFAOYSA-N84.3Ex 84.26(BP est) -52.02(MP est) ----(BP exp) ----(MP exp) ClC(C)[As]([H])([H]) -52Pred
ClCC[AsH2]18127140.442C2H6AsCl(2-chloroethyl)arsaneN104ClCC[As]([H])([H])InChI=1S/C2H6AsCl/c3-1-2-4/h1-3H2InChIKey=WZDWESFVBIYAGE-UHFFFAOYSA-N111.9Ex 111.94(BP est) -36.44(MP est) ----(BP exp) ----(MP exp) ClCC[As]([H])([H]) -36.4Pred
C[AsH]CCl18128140.442C2H6AsCl(chloromethyl)(methyl)arsaneN104C[As]([H])CClInChI=1S/C2H6AsCl/c1-3-2-4/h3H,2H2,1H3InChIKey=HOPPILHYZSHVKE-UHFFFAOYSA-N109.8Ex 109.75(BP est) -45.26(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCl -45.3Pred
N[As](O)(O)=O18129140.958AsH4NO3arsoramidic acidN95N[As](O)(O)=OInChI=1S/AsH4NO3/c2-1(3,4)5/h(H4,2,3,4,5)InChIKey=MIHQXWXJCPUUCU-UHFFFAOYSA-N231.6Ex 619.29(BP est) 268.32(MP est) ----(BP exp) ----(MP exp) N[As](O)(O)=O 268.3Pred
O[As](O)C(F)F18130159.951CH3AsF2O2(difluoromethyl)arsonous acidN96O[As](O)C(F)FInChI=1S/CH3AsF2O2/c3-1(4)2(5)6/h1,5-6HInChIKey=IMQRCPRLAUIKBD-UHFFFAOYSA-N212.6Ex 212.55(BP est) 9.88(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)F 9.9Pred
O=[As](O)(O)O18131141.942AsH3O4arsoric acidN85O=[As](O)(O)OInChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)InChIKey=DJHGAFSJWGLOIV-UHFFFAOYSA-N233.9Ex 640.51(BP est) 278.23(MP est) ----(BP exp) ----(MP exp) O=[As](O)(O)O 278.2Pred
[AsH2]C(F)(F)C18132141.98C2H5AsF2(1,1-difluoroethyl)arsaneN105[As]([H])([H])C(F)(F)CInChI=1S/C2H5AsF2/c1-2(3,4)5/h3H2,1H3InChIKey=OHNIIEMVHNEIDU-UHFFFAOYSA-N24.4Ex 24.38(BP est) -75.16(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)C -75.2Pred
[AsH2]C(CF)F18133141.98C2H5AsF2(1,2-difluoroethyl)arsaneN105[As]([H])([H])C(CF)FInChI=1S/C2H5AsF2/c3-2(5)1-4/h2H,1,3H2InChIKey=RGQGVNJAGLHDDY-UHFFFAOYSA-N34.9Ex 34.90(BP est) -80.80(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CF)F -80.8Pred
[AsH2]CC(F)F18134141.98C2H5AsF2(2,2-difluoroethyl)arsaneN105[As]([H])([H])CC(F)FInChI=1S/C2H5AsF2/c3-1-2(4)5/h2H,1,3H2InChIKey=FMIBXSBPSMYARC-UHFFFAOYSA-N34.9Ex 34.90(BP est) -80.80(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)F -80.8Pred
C[AsH]C(F)F18135141.98C2H5AsF2(difluoromethyl)(methyl)arsaneN105C[As]([H])C(F)FInChI=1S/C2H5AsF2/c1-3-2(4)5/h2-3H,1H3InChIKey=CYWWVTMEHXTMIB-UHFFFAOYSA-N32.5Ex 32.46(BP est) -89.69(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)F -89.7Pred
FC[AsH]CF18136141.98C2H5AsF2bis(fluoromethyl)arsaneN105FC[As]([H])CFInChI=1S/C2H5AsF2/c4-1-3-2-5/h3H,1-2H2InChIKey=LQBGVFCDJWEVTL-UHFFFAOYSA-N48.2Ex 48.24(BP est) -77.59(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CF -77.6Pred
C#CC[As]1CC118137142.033C5H7As1-(prop-2-yn-1-yl)arsiraneN136C#CC[As]1CC1InChI=1S/C5H7As/c1-2-3-6-4-5-6/h1H,3-5H2InChIKey=PBCFXAAPSYEOHU-UHFFFAOYSA-N131.8Ex 131.78(BP est) -8.73(MP est) ----(BP exp) ----(MP exp) C#CC[As]1CC1 -8.7Pred
C#C[As]1CCC118138142.033C5H7As1-ethynylarsetaneN136C#C[As]1CCC1InChI=1S/C5H7As/c1-2-6-4-3-5-6/h1H,3-5H2InChIKey=LRJNCLSMGFCTFO-UHFFFAOYSA-N133.9Ex 133.87(BP est) -9.88(MP est) ----(BP exp) ----(MP exp) C#C[As]1CCC1 -9.9Pred
C[As]1C=CC=C118139142.033C5H7As1-methyl-1H-arsoleN136C[As]1C=CC=C1InChI=1S/C5H7As/c1-6-4-2-3-5-6/h2-5H,1H3InChIKey=YXOPFNVPUYSCEO-UHFFFAOYSA-N133.9Ex 133.94(BP est) -34.35(MP est) ----(BP exp) ----(MP exp) C[As]1C=CC=C1 -34.4Pred
C=C[As]1CC=C118140142.033C5H7As1-vinyl-1,2-dihydroarseteN136C=C[As]1CC=C1InChI=1S/C5H7As/c1-2-6-4-3-5-6/h2-4H,1,5H2InChIKey=GQAZBUDHGMBDEI-UHFFFAOYSA-N127.1Ex 127.14(BP est) -35.83(MP est) ----(BP exp) ----(MP exp) C=C[As]1CC=C1 -35.8Pred
C#C[AsH]CC=C18141142.033C5H7Asallyl(ethynyl)arsaneN136C#C[As]([H])CC=CInChI=1S/C5H7As/c1-3-5-6-4-2/h2-3,6H,1,5H2InChIKey=YCCKXBCYSBCTBF-UHFFFAOYSA-N123.7Ex 123.73(BP est) -16.63(MP est) ----(BP exp) ----(MP exp) C#C[As]([H])CC=C -16.6Pred
[AsH2]C1=CC=CC118142142.033C5H7Ascyclopenta-1,3-dien-1-ylarsaneN136[As]([H])([H])C1=CC=CC1InChI=1S/C5H7As/c6-5-3-1-2-4-5/h1-3H,4,6H2InChIKey=KDLJBCJKYJRXCI-UHFFFAOYSA-N138.3Ex 138.26(BP est) -12.22(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C1=CC=CC1 -12.2Pred
C[As](C#C)C=C18143142.033C5H7Asethynyl(methyl)(vinyl)arsaneN136C[As](C#C)C=CInChI=1S/C5H7As/c1-4-6(3)5-2/h1,5H,2H2,3H3InChIKey=CKAUKJDKNUARKU-UHFFFAOYSA-N121.6Ex 121.59(BP est) -25.44(MP est) ----(BP exp) ----(MP exp) C[As](C#C)C=C -25.4Pred
C=CC(C#C)[AsH2]18144142.033C5H7Aspent-1-en-4-yn-3-ylarsaneN136C=CC(C#C)[As]([H])([H])InChI=1S/C5H7As/c1-3-5(6)4-2/h1,4-5H,2,6H2InChIKey=JBIJVYGOSDCMJU-UHFFFAOYSA-N111.8Ex 111.82(BP est) -19.42(MP est) ----(BP exp) ----(MP exp) C=CC(C#C)[As]([H])([H]) -19.4Pred
C=C[AsH]CC#C18145142.033C5H7Asprop-2-yn-1-yl(vinyl)arsaneN136C=C[As]([H])CC#CInChI=1S/C5H7As/c1-3-5-6-4-2/h1,4,6H,2,5H2InChIKey=SJDLPNTZXSJKDI-UHFFFAOYSA-N123.7Ex 123.73(BP est) -16.63(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])CC#C -16.6Pred
C#C[AsH]C#CF18146143.98C4H2AsFethynyl(fluoroethynyl)arsaneN86C#C[As]([H])C#CFInChI=1S/C4H2AsF/c1-2-5-3-4-6/h1,5HInChIKey=DUGLSPIOZWVLPD-UHFFFAOYSA-N121.3Ex 121.34(BP est) -5.77(MP est) ----(BP exp) ----(MP exp) C#C[As]([H])C#CF -5.8Pred
O=[As]1(C#C)CC118147144.005C4H5AsO1-ethynylarsirane 1-oxideN116O=[As]1(C#C)CC1InChI=1S/C4H5AsO/c1-2-5(6)3-4-5/h1H,3-4H2InChIKey=PDMJUAQTVRWFSA-UHFFFAOYSA-N137.2Ex 137.20(BP est) 4.33(MP est) ----(BP exp) ----(MP exp) O=[As]1(C#C)CC1 4.3Pred
CC1([AsH2])C=CC118148144.049C5H9As(1-methylcyclobut-2-en-1-yl)arsaneN156CC1([As]([H])([H]))C=CC1InChI=1S/C5H9As/c1-5(6)3-2-4-5/h2-3H,4,6H2,1H3InChIKey=HLIVNYHFAJNCPK-UHFFFAOYSA-N116.3Ex 116.33(BP est) -13.67(MP est) ----(BP exp) ----(MP exp) CC1([As]([H])([H]))C=CC1 -13.7Pred
C=CC1([AsH2])CC118149144.049C5H9As(1-vinylcyclopropyl)arsaneN156C=CC1([As]([H])([H]))CC1InChI=1S/C5H9As/c1-2-5(6)3-4-5/h2H,1,3-4,6H2InChIKey=ZJNFWDALLSGXRH-UHFFFAOYSA-N109.3Ex 109.32(BP est) -15.21(MP est) ----(BP exp) ----(MP exp) C=CC1([As]([H])([H]))CC1 -15.2Pred
CC(C#C)C[AsH2]18150144.049C5H9As(2-methylbut-3-yn-1-yl)arsaneN156CC(C#C)C[As]([H])([H])InChI=1S/C5H9As/c1-3-5(2)4-6/h1,5H,4,6H2,2H3InChIKey=IYRNLVURICWWHF-UHFFFAOYSA-N113.6Ex 113.58(BP est) -18.03(MP est) ----(BP exp) ----(MP exp) CC(C#C)C[As]([H])([H]) -18Pred
CC([AsH2])(C)C#C18151144.049C5H9As(2-methylbut-3-yn-2-yl)arsaneN156CC([As]([H])([H]))(C)C#CInChI=1S/C5H9As/c1-4-5(2,3)6/h1H,6H2,2-3H3InChIKey=SGSFXVDDPCQJKX-UHFFFAOYSA-N104.2Ex 104.19(BP est) -12.06(MP est) ----(BP exp) ----(MP exp) CC([As]([H])([H]))(C)C#C -12.1Pred
[AsH2]CC1C=CC118152144.049C5H9As(cyclobut-2-en-1-ylmethyl)arsaneN156[As]([H])([H])CC1C=CC1InChI=1S/C5H9As/c6-4-5-2-1-3-5/h1-2,5H,3-4,6H2InChIKey=ZJJZSWPCUADIRU-UHFFFAOYSA-N128.6Ex 128.55(BP est) -22.05(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC1C=CC1 -22.1Pred
C1[AsH]CC=CC118153144.049C5H9As1,2,3,6-tetrahydroarsinineN156C1[As]([H])CC=CC1InChI=1S/C5H9As/c1-2-4-6-5-3-1/h1-2,6H,3-5H2InChIKey=QDFLOROWKANHIG-UHFFFAOYSA-N135.1Ex 135.14(BP est) -27.95(MP est) ----(BP exp) ----(MP exp) C1[As]([H])CC=CC1 -28Pred
C=CC[As]1CC118154144.049C5H9As1-allylarsiraneN156C=CC[As]1CC1InChI=1S/C5H9As/c1-2-3-6-4-5-6/h2H,1,3-5H2InChIKey=KAJDDEMJHMAFOW-UHFFFAOYSA-N122.0Ex 121.99(BP est) -35.95(MP est) ----(BP exp) ----(MP exp) C=CC[As]1CC1 -36Pred
CC[As]1CC=C118155144.049C5H9As1-ethyl-1,2-dihydroarseteN156CC[As]1CC=C1InChI=1S/C5H9As/c1-2-6-4-3-5-6/h3-4H,2,5H2,1H3InChIKey=DMPDNSJAQRNDKM-UHFFFAOYSA-N128.9Ex 128.86(BP est) -34.45(MP est) ----(BP exp) ----(MP exp) CC[As]1CC=C1 -34.5Pred
C[As]1CCC=C118156144.049C5H9As1-methyl-2,3-dihydro-1H-arsoleN156C[As]1CCC=C1InChI=1S/C5H9As/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3InChIKey=GOEZGCCDYITDJM-UHFFFAOYSA-N131.0Ex 130.95(BP est) -35.60(MP est) ----(BP exp) ----(MP exp) C[As]1CCC=C1 -35.6Pred
C[As]1CC=CC118157144.049C5H9As1-methyl-2,5-dihydro-1H-arsoleN156C[As]1CC=CC1InChI=1S/C5H9As/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3InChIKey=ISZVWTCGFFSEGG-UHFFFAOYSA-N131.0Ex 130.95(BP est) -35.60(MP est) ----(BP exp) ----(MP exp) C[As]1CC=CC1 -35.6Pred
C=C[As]1CCC118158144.049C5H9As1-vinylarsetaneN156C=C[As]1CCC1InChI=1S/C5H9As/c1-2-6-4-3-5-6/h2H,1,3-5H2InChIKey=GKKJPTYQBJLVNA-UHFFFAOYSA-N124.1Ex 124.12(BP est) -37.10(MP est) ----(BP exp) ----(MP exp) C=C[As]1CCC1 -37.1Pred
CC1=C[AsH]CC118159144.049C5H9As4-methyl-2,3-dihydro-1H-arsoleN156CC1=C[As]([H])CC1InChI=1S/C5H9As/c1-5-2-3-6-4-5/h4,6H,2-3H2,1H3InChIKey=DKCFYATVQBHZCT-UHFFFAOYSA-N131.1Ex 131.10(BP est) -21.11(MP est) ----(BP exp) ----(MP exp) CC1=C[As]([H])CC1 -21.1Pred
C=C[AsH]CC=C18160144.049C5H9Asallyl(vinyl)arsaneN156C=C[As]([H])CC=CInChI=1S/C5H9As/c1-3-5-6-4-2/h3-4,6H,1-2,5H2InChIKey=QFSJYNNZZHMVTR-UHFFFAOYSA-N113.8Ex 113.81(BP est) -43.89(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])CC=C -43.9Pred
C[AsH]CCC#C18161144.049C5H9Asbut-3-yn-1-yl(methyl)arsaneN156C[As]([H])CCC#CInChI=1S/C5H9As/c1-3-4-5-6-2/h1,6H,4-5H2,2H3InChIKey=QFUVSPBQCCEGQX-UHFFFAOYSA-N125.5Ex 125.46(BP est) -15.24(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCC#C -15.2Pred
C[AsH]C(C)C#C18162144.049C5H9Asbut-3-yn-2-yl(methyl)arsaneN156C[As]([H])C(C)C#CInChI=1S/C5H9As/c1-4-5(2)6-3/h1,5-6H,2-3H3InChIKey=QVTAXQAKWDDMFI-UHFFFAOYSA-N111.4Ex 111.40(BP est) -26.85(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)C#C -26.9Pred
C[AsH]C1C=CC118163144.049C5H9Ascyclobut-2-en-1-yl(methyl)arsaneN156C[As]([H])C1C=CC1InChI=1S/C5H9As/c1-6-5-3-2-4-5/h2-3,5-6H,4H2,1H3InChIKey=YDSRXFRIDFEXFS-UHFFFAOYSA-N126.4Ex 126.43(BP est) -30.86(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1C=CC1 -30.9Pred
[AsH2]C1C=CCC118164144.049C5H9Ascyclopent-2-en-1-ylarsaneN156[As]([H])([H])C1C=CCC1InChI=1S/C5H9As/c6-5-3-1-2-4-5/h1,3,5H,2,4,6H2InChIKey=GFCLWUYXTBEKNQ-UHFFFAOYSA-N130.7Ex 130.65(BP est) -23.20(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C1C=CCC1 -23.2Pred
C[As](C)CC#C18165144.049C5H9Asdimethyl(prop-2-yn-1-yl)arsaneN156C[As](C)CC#CInChI=1S/C5H9As/c1-4-5-6(2)3/h1H,5H2,2-3H3InChIKey=HCFAUMPSLYVZAB-UHFFFAOYSA-N123.3Ex 123.32(BP est) -24.05(MP est) ----(BP exp) ----(MP exp) C[As](C)CC#C -24.1Pred
C[As](C#C)CC18166144.049C5H9Asethyl(ethynyl)(methyl)arsaneN156C[As](C#C)CCInChI=1S/C5H9As/c1-4-6(3)5-2/h1H,5H2,2-3H3InChIKey=UBEMCIOTINAWAN-UHFFFAOYSA-N123.3Ex 123.32(BP est) -24.05(MP est) ----(BP exp) ----(MP exp) C[As](C#C)CC -24.1Pred
CC[AsH]CC#C18167144.049C5H9Asethyl(prop-2-yn-1-yl)arsaneN156CC[As]([H])CC#CInChI=1S/C5H9As/c1-3-5-6-4-2/h1,6H,4-5H2,2H3InChIKey=LEUMLQMJAAGQEU-UHFFFAOYSA-N125.5Ex 125.46(BP est) -15.24(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CC#C -15.2Pred
C#C[AsH]CCC18168144.049C5H9Asethynyl(propyl)arsaneN156C#C[As]([H])CCCInChI=1S/C5H9As/c1-3-5-6-4-2/h2,6H,3,5H2,1H3InChIKey=CBWHDVZONIEOCV-UHFFFAOYSA-N125.5Ex 125.46(BP est) -15.24(MP est) ----(BP exp) ----(MP exp) C#C[As]([H])CCC -15.2Pred
C[As](C=C)C=C18169144.049C5H9AsmethyldivinylarsaneN156C[As](C=C)C=CInChI=1S/C5H9As/c1-4-6(3)5-2/h4-5H,1-2H2,3H3InChIKey=ZQUYZSZTHDLRBF-UHFFFAOYSA-N111.6Ex 111.63(BP est) -52.71(MP est) ----(BP exp) ----(MP exp) C[As](C=C)C=C -52.7Pred
CCC(C#C)[AsH2]18170144.049C5H9Aspent-1-yn-3-ylarsaneN156CCC(C#C)[As]([H])([H])InChI=1S/C5H9As/c1-3-5(6)4-2/h1,5H,4,6H2,2H3InChIKey=VJQLMHLCUAJWRC-UHFFFAOYSA-N113.6Ex 113.58(BP est) -18.03(MP est) ----(BP exp) ----(MP exp) CCC(C#C)[As]([H])([H]) -18Pred
C#CCCC[AsH2]18171144.049C5H9Aspent-4-yn-1-ylarsaneN156C#CCCC[As]([H])([H])InChI=1S/C5H9As/c1-2-3-4-5-6/h1H,3-6H2InChIKey=QAICLQDWJVDFRS-UHFFFAOYSA-N127.6Ex 127.59(BP est) -6.44(MP est) ----(BP exp) ----(MP exp) C#CCCC[As]([H])([H]) -6.4Pred
CC(CC#C)[AsH2]18172144.049C5H9Aspent-4-yn-2-ylarsaneN156CC(CC#C)[As]([H])([H])InChI=1S/C5H9As/c1-3-4-5(2)6/h1,5H,4,6H2,2H3InChIKey=UEGHWCAFCCTYRP-UHFFFAOYSA-N113.6Ex 113.58(BP est) -18.03(MP est) ----(BP exp) ----(MP exp) CC(CC#C)[As]([H])([H]) -18Pred
C=CC(C=C)[AsH2]18173144.049C5H9Aspenta-1,4-dien-3-ylarsaneN156C=CC(C=C)[As]([H])([H])InChI=1S/C5H9As/c1-3-5(6)4-2/h3-5H,1-2,6H2InChIKey=QNRQTIMQSNNYNH-UHFFFAOYSA-N101.7Ex 101.70(BP est) -46.74(MP est) ----(BP exp) ----(MP exp) C=CC(C=C)[As]([H])([H]) -46.7Pred
[AsH2]C(F)Cl18174144.405CH3AsClF(chlorofluoromethyl)arsaneN74[As]([H])([H])C(F)ClInChI=1S/CH3AsClF/c2-1(3)4/h1H,2H2InChIKey=XTQRNJHWDGMSLW-UHFFFAOYSA-N61.7Ex 61.69(BP est) -63.94(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)Cl -63.9Pred
[AsH2]C(F)(F)F18175145.944CH2AsF3(trifluoromethyl)arsaneN75[As]([H])([H])C(F)(F)FInChI=1S/CH2AsF3/c2-1(3,4)5/h2H2InChIKey=WDIPNBNCPYIUBE-UHFFFAOYSA-N-12.3Ex -0.09(BP est) -87.64(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)F -87.6Pred
C=C[AsH]C#CF18176145.996C4H4AsF(fluoroethynyl)(vinyl)arsaneN106C=C[As]([H])C#CFInChI=1S/C4H4AsF/c1-2-5-3-4-6/h2,5H,1H2InChIKey=YJNSEFCJUOGRSN-UHFFFAOYSA-N111.4Ex 111.38(BP est) 3.99(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C#CF 4Pred
FC#C[As]1CC118177145.996C4H4AsF1-(fluoroethynyl)arsiraneN106FC#C[As]1CC1InChI=1S/C4H4AsF/c6-4-3-5-1-2-5/h1-2H2InChIKey=IMAZMAKLJNQEFY-UHFFFAOYSA-N119.6Ex 119.60(BP est) 11.94(MP est) ----(BP exp) ----(MP exp) FC#C[As]1CC1 11.9Pred
C#C[As]1CC1F18178145.996C4H4AsF1-ethynyl-2-fluoroarsiraneN106C#C[As]1CC1FInChI=1S/C4H4AsF/c1-2-5-3-4(5)6/h1,4H,3H2InChIKey=YAWCQASOKKJTLY-UHFFFAOYSA-N104.0Ex 103.96(BP est) -24.31(MP est) ----(BP exp) ----(MP exp) C#C[As]1CC1F -24.3Pred
FC1=CC=C[AsH]118179145.996C4H4AsF2-fluoro-1H-arsoleN106FC1=CC=C[As]([H])1InChI=1S/C4H4AsF/c6-4-2-1-3-5-4/h1-3,5HInChIKey=KQYHJZQMGFUOJU-UHFFFAOYSA-N113.2Ex 113.24(BP est) -31.29(MP est) ----(BP exp) ----(MP exp) FC1=CC=C[As]([H])1 -31.3Pred
FC1=C[AsH]C=C118180145.996C4H4AsF3-fluoro-1H-arsoleN106FC1=C[As]([H])C=C1InChI=1S/C4H4AsF/c6-4-1-2-5-3-4/h1-3,5HInChIKey=IXAMOCZSPUTYTP-UHFFFAOYSA-N113.2Ex 113.24(BP est) -31.29(MP est) ----(BP exp) ----(MP exp) FC1=C[As]([H])C=C1 -31.3Pred
FC([AsH]C#C)=C18181145.996C4H4AsFethynyl(1-fluorovinyl)arsaneN106FC([As]([H])C#C)=CInChI=1S/C4H4AsF/c1-3-5-4(2)6/h1,5H,2H2InChIKey=LXIIJJQYIVZMFS-UHFFFAOYSA-N96.0Ex 95.95(BP est) -37.06(MP est) ----(BP exp) ----(MP exp) FC([As]([H])C#C)=C -37.1Pred
FC=C[AsH]C#C18182145.996C4H4AsFethynyl(2-fluorovinyl)arsaneN106FC=C[As]([H])C#CInChI=1S/C4H4AsF/c1-2-5-3-4-6/h1,3-5HInChIKey=QQNIIRSXFDVCBC-UHFFFAOYSA-N111.6Ex 111.61(BP est) -27.17(MP est) ----(BP exp) ----(MP exp) FC=C[As]([H])C#C -27.2Pred
O=[As]1(C)CC=C118183146.021C4H7AsO1-methyl-2H-arsete 1-oxideN136O=[As]1(C)CC=C1InChI=1S/C4H7AsO/c1-5(6)3-2-4-5/h2-3H,4H2,1H3InChIKey=KVOVOILZJVAGBG-UHFFFAOYSA-N134.3Ex 134.30(BP est) 16.50(MP est) ----(BP exp) ----(MP exp) O=[As]1(C)CC=C1 16.5Pred
O=[As]1(C=C)CC118184146.021C4H7AsO1-vinylarsirane 1-oxideN136O=[As]1(C=C)CC1InChI=1S/C4H7AsO/c1-2-5(6)3-4-5/h2H,1,3-4H2InChIKey=UCSAOYWEQHCTSJ-UHFFFAOYSA-N127.5Ex 127.50(BP est) 15.02(MP est) ----(BP exp) ----(MP exp) O=[As]1(C=C)CC1 15Pred
O=[As](C)(C)C#C18185146.021C4H7AsOethynyldimethylarsine oxideN136O=[As](C)(C)C#CInChI=1S/C4H7AsO/c1-4-5(2,3)6/h1H,2-3H3InChIKey=SJIQUGZDFRNJCR-UHFFFAOYSA-N128.8Ex 128.82(BP est) 26.92(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)C#C 26.9Pred
CC1(C[AsH2])CC118186146.065C5H11As((1-methylcyclopropyl)methyl)arsaneN176CC1(C[As]([H])([H]))CC1InChI=1S/C5H11As/c1-5(4-6)2-3-5/h2-4,6H2,1H3InChIKey=QQMDGECZQVROOH-UHFFFAOYSA-N111.1Ex 111.09(BP est) -13.82(MP est) ----(BP exp) ----(MP exp) CC1(C[As]([H])([H]))CC1 -13.8Pred
CC(C1CC1)[AsH2]18187146.065C5H11As(1-cyclopropylethyl)arsaneN176CC(C1CC1)[As]([H])([H])InChI=1S/C5H11As/c1-4(6)5-2-3-5/h4-5H,2-3,6H2,1H3InChIKey=CXXVMQNRJDRCRI-UHFFFAOYSA-N109.3Ex 109.31(BP est) -33.79(MP est) ----(BP exp) ----(MP exp) CC(C1CC1)[As]([H])([H]) -33.8Pred
CCC1([AsH2])CC118188146.065C5H11As(1-ethylcyclopropyl)arsaneN176CCC1([As]([H])([H]))CC1InChI=1S/C5H11As/c1-2-5(6)3-4-5/h2-4,6H2,1H3InChIKey=RVFOIOXKDHCZIR-UHFFFAOYSA-N111.1Ex 111.09(BP est) -13.82(MP est) ----(BP exp) ----(MP exp) CCC1([As]([H])([H]))CC1 -13.8Pred
CC1([AsH2])CCC118189146.065C5H11As(1-methylcyclobutyl)arsaneN176CC1([As]([H])([H]))CCC1InChI=1S/C5H11As/c1-5(6)3-2-4-5/h2-4,6H2,1H3InChIKey=UYIYSBFRBIQFMR-UHFFFAOYSA-N113.3Ex 113.25(BP est) -14.95(MP est) ----(BP exp) ----(MP exp) CC1([As]([H])([H]))CCC1 -15Pred
[AsH2]CCC1CC118190146.065C5H11As(2-cyclopropylethyl)arsaneN176[As]([H])([H])CCC1CC1InChI=1S/C5H11As/c6-4-3-5-1-2-5/h5H,1-4,6H2InChIKey=IUILIHDKPVIKOD-UHFFFAOYSA-N123.4Ex 123.42(BP est) -22.17(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC1CC1 -22.2Pred
CC(C=C)C[AsH2]18191146.065C5H11As(2-methylbut-3-en-1-yl)arsaneN176CC(C=C)C[As]([H])([H])InChI=1S/C5H11As/c1-3-5(2)4-6/h3,5H,1,4,6H2,2H3InChIKey=MRAXVFAGZKQTBY-UHFFFAOYSA-N103.5Ex 103.49(BP est) -45.34(MP est) ----(BP exp) ----(MP exp) CC(C=C)C[As]([H])([H]) -45.3Pred
CC([AsH2])(C)C=C18192146.065C5H11As(2-methylbut-3-en-2-yl)arsaneN176CC([As]([H])([H]))(C)C=CInChI=1S/C5H11As/c1-4-5(2,3)6/h4H,1,6H2,2-3H3InChIKey=PYINRCUVDUKTIF-UHFFFAOYSA-N94.0Ex 93.95(BP est) -39.41(MP est) ----(BP exp) ----(MP exp) CC([As]([H])([H]))(C)C=C -39.4Pred
CC1C([AsH2])CC118193146.065C5H11As(2-methylcyclobutyl)arsaneN176CC1C([As]([H])([H]))CC1InChI=1S/C5H11As/c1-4-2-3-5(4)6/h4-5H,2-3,6H2,1H3InChIKey=NLURWYZLOLEFKS-UHFFFAOYSA-N118.8Ex 118.82(BP est) -27.39(MP est) ----(BP exp) ----(MP exp) CC1C([As]([H])([H]))CC1 -27.4Pred
[AsH2]CC1CCC118194146.065C5H11As(cyclobutylmethyl)arsaneN176[As]([H])([H])CC1CCC1InChI=1S/C5H11As/c6-4-5-2-1-3-5/h5H,1-4,6H2InChIKey=DGSHYUYCGAAAEI-UHFFFAOYSA-N125.5Ex 125.53(BP est) -23.31(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC1CCC1 -23.3Pred
C[AsH]CC1CC118195146.065C5H11As(cyclopropylmethyl)(methyl)arsaneN176C[As]([H])CC1CC1InChI=1S/C5H11As/c1-6-4-5-2-3-5/h5-6H,2-4H2,1H3InChIKey=CJNGVWJJXPMBLF-UHFFFAOYSA-N121.3Ex 121.28(BP est) -30.98(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC1CC1 -31Pred
CC[As]1CCC118196146.065C5H11As1-ethylarsetaneN176CC[As]1CCC1InChI=1S/C5H11As/c1-2-6-4-3-5-6/h2-5H2,1H3InChIKey=AFGKQSHSPCKIDV-UHFFFAOYSA-N125.8Ex 125.84(BP est) -35.71(MP est) ----(BP exp) ----(MP exp) CC[As]1CCC1 -35.7Pred
C[As]1CCCC118197146.065C5H11As1-methylarsolaneN176C[As]1CCCC1InChI=1S/C5H11As/c1-6-4-2-3-5-6/h2-5H2,1H3InChIKey=IHKGBCZFEXNGLV-UHFFFAOYSA-N128.0Ex 127.95(BP est) -36.86(MP est) ----(BP exp) ----(MP exp) C[As]1CCCC1 -36.9Pred
CCC[As]1CC118198146.065C5H11As1-propylarsiraneN176CCC[As]1CC1InChI=1S/C5H11As/c1-2-3-6-4-5-6/h2-5H2,1H3InChIKey=RIIMTSIPLNYFHQ-UHFFFAOYSA-N123.7Ex 123.72(BP est) -34.57(MP est) ----(BP exp) ----(MP exp) CCC[As]1CC1 -34.6Pred
CC1CCC[AsH]118199146.065C5H11As2-methylarsolaneN176CC1CCC[As]([H])1InChI=1S/C5H11As/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3InChIKey=NLGVWORRSCJXBW-UHFFFAOYSA-N123.4Ex 123.40(BP est) -32.12(MP est) ----(BP exp) ----(MP exp) CC1CCC[As]([H])1 -32.1Pred
CC[AsH]CC=C18200146.065C5H11Asallyl(ethyl)arsaneN176CC[As]([H])CC=CInChI=1S/C5H11As/c1-3-5-6-4-2/h3,6H,1,4-5H2,2H3InChIKey=AHDNHKLITUMQKJ-UHFFFAOYSA-N115.6Ex 115.57(BP est) -42.50(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CC=C -42.5Pred
C[As](C)CC=C18201146.065C5H11AsallyldimethylarsaneN176C[As](C)CC=CInChI=1S/C5H11As/c1-4-5-6(2)3/h4H,1,5H2,2-3H3InChIKey=XTHTYACUIBGCCO-UHFFFAOYSA-N113.4Ex 113.39(BP est) -51.32(MP est) ----(BP exp) ----(MP exp) C[As](C)CC=C -51.3Pred
C[AsH]CCC=C18202146.065C5H11Asbut-3-en-1-yl(methyl)arsaneN176C[As]([H])CCC=CInChI=1S/C5H11As/c1-3-4-5-6-2/h3,6H,1,4-5H2,2H3InChIKey=UZDFCECOKBYRDW-UHFFFAOYSA-N115.6Ex 115.57(BP est) -42.50(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCC=C -42.5Pred
C[AsH]C(C)C=C18203146.065C5H11Asbut-3-en-2-yl(methyl)arsaneN176C[As]([H])C(C)C=CInChI=1S/C5H11As/c1-4-5(2)6-3/h4-6H,1H2,2-3H3InChIKey=CVEGDZPKEYTUIK-UHFFFAOYSA-N101.3Ex 101.28(BP est) -54.17(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)C=C -54.2Pred
C[AsH]C1CCC118204146.065C5H11Ascyclobutyl(methyl)arsaneN176C[As]([H])C1CCC1InChI=1S/C5H11As/c1-6-5-3-2-4-5/h5-6H,2-4H2,1H3InChIKey=YDGJGPBOULCSOQ-UHFFFAOYSA-N123.4Ex 123.40(BP est) -32.12(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1CCC1 -32.1Pred
[AsH2]C1CCCC118205146.065C5H11AscyclopentylarsaneN176[As]([H])([H])C1CCCC1InChI=1S/C5H11As/c6-5-3-1-2-4-5/h5H,1-4,6H2InChIKey=OHMYESGOGSWQOM-UHFFFAOYSA-N127.6Ex 127.64(BP est) -24.46(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C1CCCC1 -24.5Pred
CC[AsH]C1CC118206146.065C5H11Ascyclopropyl(ethyl)arsaneN176CC[As]([H])C1CC1InChI=1S/C5H11As/c1-2-6-5-3-4-5/h5-6H,2-4H2,1H3InChIKey=ZOSZGSPPZJUCKA-UHFFFAOYSA-N121.3Ex 121.28(BP est) -30.98(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C1CC1 -31Pred
C[As](C)C1CC118207146.065C5H11AscyclopropyldimethylarsaneN176C[As](C)C1CC1InChI=1S/C5H11As/c1-6(2)5-3-4-5/h5H,3-4H2,1-2H3InChIKey=QHPZYACJQOWXRV-UHFFFAOYSA-N119.1Ex 119.13(BP est) -39.79(MP est) ----(BP exp) ----(MP exp) C[As](C)C1CC1 -39.8Pred
C[As](C=C)CC18208146.065C5H11Asethyl(methyl)(vinyl)arsaneN176C[As](C=C)CCInChI=1S/C5H11As/c1-4-6(3)5-2/h4H,1,5H2,2-3H3InChIKey=RAQVZTRKSGMAOF-UHFFFAOYSA-N113.4Ex 113.39(BP est) -51.32(MP est) ----(BP exp) ----(MP exp) C[As](C=C)CC -51.3Pred
C[AsH]C1(C)CC118209146.065C5H11Asmethyl(1-methylcyclopropyl)arsaneN176C[As]([H])C1(C)CC1InChI=1S/C5H11As/c1-5(6-2)3-4-5/h6H,3-4H2,1-2H3InChIKey=QFHDRVHNQYJEHA-UHFFFAOYSA-N108.9Ex 108.90(BP est) -22.64(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1(C)CC1 -22.6Pred
CCC(C=C)[AsH2]18210146.065C5H11Aspent-1-en-3-ylarsaneN176CCC(C=C)[As]([H])([H])InChI=1S/C5H11As/c1-3-5(6)4-2/h3,5H,1,4,6H2,2H3InChIKey=GZNGPTJUCBCZIE-UHFFFAOYSA-N103.5Ex 103.49(BP est) -45.34(MP est) ----(BP exp) ----(MP exp) CCC(C=C)[As]([H])([H]) -45.3Pred
C=CCCC[AsH2]18211146.065C5H11Aspent-4-en-1-ylarsaneN176C=CCCC[As]([H])([H])InChI=1S/C5H11As/c1-2-3-4-5-6/h2H,1,3-6H2InChIKey=LNAJOOFAHLADSX-UHFFFAOYSA-N117.7Ex 117.73(BP est) -33.68(MP est) ----(BP exp) ----(MP exp) C=CCCC[As]([H])([H]) -33.7Pred
CC(CC=C)[AsH2]18212146.065C5H11Aspent-4-en-2-ylarsaneN176CC(CC=C)[As]([H])([H])InChI=1S/C5H11As/c1-3-4-5(2)6/h3,5H,1,4,6H2,2H3InChIKey=TYDZJKVFZOWCBK-UHFFFAOYSA-N103.5Ex 103.49(BP est) -45.34(MP est) ----(BP exp) ----(MP exp) CC(CC=C)[As]([H])([H]) -45.3Pred
C1[AsH]CCCC118213146.065C5H11AsarsinaneN176C1[As]([H])CCCC1InChI=1S/C5H11As/c1-2-4-6-5-3-1/h6H,1-5H2InChIKey=LUFUJSPCEGLIIV-UHFFFAOYSA-N132.2Ex 132.16(BP est) -29.20(MP est) ----(BP exp) ----(MP exp) C1[As]([H])CCCC1 -29.2Pred
C=C[AsH]CCC18214146.065C5H11Aspropyl(vinyl)arsaneN176C=C[As]([H])CCCInChI=1S/C5H11As/c1-3-5-6-4-2/h4,6H,2-3,5H2,1H3InChIKey=VQUUNRPWDZEZOA-UHFFFAOYSA-N115.6Ex 115.57(BP est) -42.50(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])CCC -42.5Pred
O[As](O)C(C#C)F18215165.983C3H4AsFO2(1-fluoroprop-2-yn-1-yl)arsonous acidN117O[As](O)C(C#C)FInChI=1S/C3H4AsFO2/c1-2-3(5)4(6)7/h1,3,6-7HInChIKey=ADQHTXSHSBDYJV-UHFFFAOYSA-N253.8Ex 253.81(BP est) 49.11(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C#C)F 49.1Pred
O[As](O)CC#CF18216165.983C3H4AsFO2(3-fluoroprop-2-yn-1-yl)arsonous acidN117O[As](O)CC#CFInChI=1S/C3H4AsFO2/c5-3-1-2-4(6)7/h6-7H,2H2InChIKey=MSFXRAXEAMMDMH-UHFFFAOYSA-N270.3Ex 270.27(BP est) 71.20(MP est) ----(BP exp) ----(MP exp) O[As](O)CC#CF 71.2Pred
O=[As]1(O)CC=C118217147.993C3H5AsO21-hydroxy-2H-arsete 1-oxideN116O=[As]1(O)CC=C1InChI=1S/C3H5AsO2/c5-4(6)2-1-3-4/h1-2H,3H2,(H,5,6)InChIKey=CNTDWIWTNZXPOX-UHFFFAOYSA-N207.8Ex 207.82(BP est) 35.21(MP est) ----(BP exp) ----(MP exp) O=[As]1(O)CC=C1 35.2Pred
O=[As](C)(C#C)O18218147.993C3H5AsO2ethynyl(methyl)arsinic acidN116O=[As](C)(C#C)OInChI=1S/C3H5AsO2/c1-3-4(2,5)6/h1H,2H3,(H,5,6)InChIKey=DHBBYAUSIMVYKI-UHFFFAOYSA-N203.1Ex 203.10(BP est) 39.15(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C#C)O 39.2Pred
C[AsH]C(C#C)F18219148.012C4H6AsF(1-fluoroprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])C(C#C)FInChI=1S/C4H6AsF/c1-3-4(6)5-2/h1,4-5H,2H3InChIKey=QUDZWGVGDIWFJQ-UHFFFAOYSA-N89.8Ex 89.75(BP est) -38.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C#C)F -38.5Pred
C=C[AsH]C(F)=C18220148.012C4H6AsF(1-fluorovinyl)(vinyl)arsaneN126C=C[As]([H])C(F)=CInChI=1S/C4H6AsF/c1-3-5-4(2)6/h3,5H,1-2H2InChIKey=CFULUMDDQRFDBP-UHFFFAOYSA-N85.6Ex 85.57(BP est) -64.45(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C(F)=C -64.5Pred
C=C[AsH]C=CF18221148.012C4H6AsF(2-fluorovinyl)(vinyl)arsaneN126C=C[As]([H])C=CFInChI=1S/C4H6AsF/c1-2-5-3-4-6/h2-5H,1H2InChIKey=BUHIGEDNINDFMX-UHFFFAOYSA-N101.5Ex 101.48(BP est) -54.49(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C=CF -54.5Pred
C[AsH]CC#CF18222148.012C4H6AsF(3-fluoroprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])CC#CFInChI=1S/C4H6AsF/c1-5-3-2-4-6/h5H,3H2,1H3InChIKey=CBQYIZBHXNKIOD-UHFFFAOYSA-N113.1Ex 113.14(BP est) 5.39(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC#CF 5.4Pred
C[As](C#CF)C18223148.012C4H6AsF(fluoroethynyl)dimethylarsaneN126C[As](C#CF)CInChI=1S/C4H6AsF/c1-5(2)3-4-6/h1-2H3InChIKey=TWYNMBJJOVHFQV-UHFFFAOYSA-N111.0Ex 110.96(BP est) -3.44(MP est) ----(BP exp) ----(MP exp) C[As](C#CF)C -3.4Pred
FC[AsH]CC#C18224148.012C4H6AsF(fluoromethyl)(prop-2-yn-1-yl)arsaneN126FC[As]([H])CC#CInChI=1S/C4H6AsF/c1-2-3-5-4-6/h1,5H,3-4H2InChIKey=NXQJLAFQIBSOFL-UHFFFAOYSA-N104.3Ex 104.30(BP est) -26.76(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CC#C -26.8Pred
FC([As]1CC1)=C18225148.012C4H6AsF1-(1-fluorovinyl)arsiraneN126FC([As]1CC1)=CInChI=1S/C4H6AsF/c1-4(6)5-2-3-5/h1-3H2InChIKey=ZQGOCLMYDGCHAS-UHFFFAOYSA-N94.1Ex 94.13(BP est) -56.41(MP est) ----(BP exp) ----(MP exp) FC([As]1CC1)=C -56.4Pred
FC=C[As]1CC118226148.012C4H6AsF1-(2-fluorovinyl)arsiraneN126FC=C[As]1CC1InChI=1S/C4H6AsF/c6-4-3-5-1-2-5/h3-4H,1-2H2InChIKey=XVGSJWZCVIUCSM-UHFFFAOYSA-N109.8Ex 109.83(BP est) -46.51(MP est) ----(BP exp) ----(MP exp) FC=C[As]1CC1 -46.5Pred
FC[As]1CC=C118227148.012C4H6AsF1-(fluoromethyl)-1,2-dihydroarseteN126FC[As]1CC=C1InChI=1S/C4H6AsF/c6-4-5-2-1-3-5/h1-2H,3-4H2InChIKey=OAIVZQUMNYZMDA-UHFFFAOYSA-N107.8Ex 107.82(BP est) -45.93(MP est) ----(BP exp) ----(MP exp) FC[As]1CC=C1 -45.9Pred
C[As]1C(F)C=C118228148.012C4H6AsF2-fluoro-1-methyl-1,2-dihydroarseteN126C[As]1C(F)C=C1InChI=1S/C4H6AsF/c1-5-3-2-4(5)6/h2-4H,1H3InChIKey=QIQAVNOHNYDJIH-UHFFFAOYSA-N100.9Ex 100.90(BP est) -50.07(MP est) ----(BP exp) ----(MP exp) C[As]1C(F)C=C1 -50.1Pred
FC1[As](C=C)C118229148.012C4H6AsF2-fluoro-1-vinylarsiraneN126FC1[As](C=C)C1InChI=1S/C4H6AsF/c1-2-5-3-4(5)6/h2,4H,1,3H2InChIKey=BREAFFJTJMUGME-UHFFFAOYSA-N93.7Ex 93.72(BP est) -51.67(MP est) ----(BP exp) ----(MP exp) FC1[As](C=C)C1 -51.7Pred
FC1[AsH]C=CC118230148.012C4H6AsF2-fluoro-2,3-dihydro-1H-arsoleN126FC1[As]([H])C=CC1InChI=1S/C4H6AsF/c6-4-2-1-3-5-4/h1,3-5H,2H2InChIKey=ZHORWBUOBJYAPX-UHFFFAOYSA-N105.3Ex 105.30(BP est) -42.36(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C=CC1 -42.4Pred
C[As]1CC(F)=C118231148.012C4H6AsF3-fluoro-1-methyl-1,2-dihydroarseteN126C[As]1CC(F)=C1InChI=1S/C4H6AsF/c1-5-2-4(6)3-5/h2H,3H2,1H3InChIKey=OIFBNNIKWGRBHH-UHFFFAOYSA-N105.8Ex 105.77(BP est) -40.27(MP est) ----(BP exp) ----(MP exp) C[As]1CC(F)=C1 -40.3Pred
FC1C[AsH]C=C118232148.012C4H6AsF3-fluoro-2,3-dihydro-1H-arsoleN126FC1C[As]([H])C=C1InChI=1S/C4H6AsF/c6-4-1-2-5-3-4/h1-2,4-5H,3H2InChIKey=UTHMEIBNYQLJQZ-UHFFFAOYSA-N105.3Ex 105.30(BP est) -42.36(MP est) ----(BP exp) ----(MP exp) FC1C[As]([H])C=C1 -42.4Pred
C[As]1CC=C1F18233148.012C4H6AsF4-fluoro-1-methyl-1,2-dihydroarseteN126C[As]1CC=C1FInChI=1S/C4H6AsF/c1-5-3-2-4(5)6/h2H,3H2,1H3InChIKey=CEVMOVDOBSDLDW-UHFFFAOYSA-N105.8Ex 105.77(BP est) -40.27(MP est) ----(BP exp) ----(MP exp) C[As]1CC=C1F -40.3Pred
FC1=C[AsH]CC118234148.012C4H6AsF4-fluoro-2,3-dihydro-1H-arsoleN126FC1=C[As]([H])CC1InChI=1S/C4H6AsF/c6-4-1-2-5-3-4/h3,5H,1-2H2InChIKey=XRDSJZZSAORSOT-UHFFFAOYSA-N110.1Ex 110.14(BP est) -32.57(MP est) ----(BP exp) ----(MP exp) FC1=C[As]([H])CC1 -32.6Pred
FC1=CCC[AsH]118235148.012C4H6AsF5-fluoro-2,3-dihydro-1H-arsoleN126FC1=CCC[As]([H])1InChI=1S/C4H6AsF/c6-4-2-1-3-5-4/h2,5H,1,3H2InChIKey=DKZACEQRKDKCEN-UHFFFAOYSA-N110.1Ex 110.14(BP est) -32.57(MP est) ----(BP exp) ----(MP exp) FC1=CCC[As]([H])1 -32.6Pred
CC[AsH]C#CF18236148.012C4H6AsFethyl(fluoroethynyl)arsaneN126CC[As]([H])C#CFInChI=1S/C4H6AsF/c1-2-5-3-4-6/h5H,2H2,1H3InChIKey=NONAOONLUUFIGB-UHFFFAOYSA-N113.1Ex 113.14(BP est) 5.39(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C#CF 5.4Pred
FC(C)[AsH]C#C18237148.012C4H6AsFethynyl(1-fluoroethyl)arsaneN126FC(C)[As]([H])C#CInChI=1S/C4H6AsF/c1-3-5-4(2)6/h1,4-5H,2H3InChIKey=KKUOKSCPZASSPX-UHFFFAOYSA-N89.8Ex 89.75(BP est) -38.51(MP est) ----(BP exp) ----(MP exp) FC(C)[As]([H])C#C -38.5Pred
FCC[AsH]C#C18238148.012C4H6AsFethynyl(2-fluoroethyl)arsaneN126FCC[As]([H])C#CInChI=1S/C4H6AsF/c1-2-5-3-4-6/h1,5H,3-4H2InChIKey=OPTQNNDWBSFGAF-UHFFFAOYSA-N104.3Ex 104.30(BP est) -26.76(MP est) ----(BP exp) ----(MP exp) FCC[As]([H])C#C -26.8Pred
C[As](C#C)CF18239148.012C4H6AsFethynyl(fluoromethyl)(methyl)arsaneN126C[As](C#C)CFInChI=1S/C4H6AsF/c1-3-5(2)4-6/h1H,4H2,2H3InChIKey=SEXMHRHQGOJGBM-UHFFFAOYSA-N102.1Ex 102.09(BP est) -35.59(MP est) ----(BP exp) ----(MP exp) C[As](C#C)CF -35.6Pred
C1[AsH]CCOC118240148.037C4H9AsO1,4-oxarsinaneN156C1[As]([H])CCOC1InChI=1S/C4H9AsO/c1-3-6-4-2-5-1/h5H,1-4H2InChIKey=IYLMTGVYQAORPZ-UHFFFAOYSA-N138.3Ex 138.28(BP est) -19.77(MP est) ----(BP exp) ----(MP exp) C1[As]([H])CCOC1 -19.8Pred
O=[As]1(CC)CC118241148.037C4H9AsO1-ethylarsirane 1-oxideN156O=[As]1(CC)CC1InChI=1S/C4H9AsO/c1-2-5(6)3-4-5/h2-4H2,1H3InChIKey=CNAFOLYREWNQAZ-UHFFFAOYSA-N129.2Ex 129.22(BP est) 16.40(MP est) ----(BP exp) ----(MP exp) O=[As]1(CC)CC1 16.4Pred
O=[As]1(C)CCC118242148.037C4H9AsO1-methylarsetane 1-oxideN156O=[As]1(C)CCC1InChI=1S/C4H9AsO/c1-5(6)3-2-4-5/h2-4H2,1H3InChIKey=SDXFFRYWXLQWLT-UHFFFAOYSA-N131.3Ex 131.31(BP est) 15.25(MP est) ----(BP exp) ----(MP exp) O=[As]1(C)CCC1 15.3Pred
O=[As](C)(C)C=C18243148.037C4H9AsOdimethyl(vinyl)arsine oxideN156O=[As](C)(C)C=CInChI=1S/C4H9AsO/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=IYEAHKVAKVEUSL-UHFFFAOYSA-N119.0Ex 118.98(BP est) -0.32(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)C=C -0.3Pred
CC(C[As](O)O)C18244166.052C4H11AsO2isobutylarsonous acidN187CC(C[As](O)O)CInChI=1S/C4H11AsO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3InChIKey=CTMWAGLCANNIRX-UHFFFAOYSA-N263.2Ex 263.21(BP est) 40.99(MP est) ----(BP exp) ----(MP exp) CC(C[As](O)O)C 41Pred
CC(CC)C[AsH2]18245148.081C5H13As(2-methylbutyl)arsaneN196CC(CC)C[As]([H])([H])InChI=1S/C5H13As/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3InChIKey=LBFAWBAXAGGMHE-UHFFFAOYSA-N105.3Ex 105.27(BP est) -43.94(MP est) ----(BP exp) ----(MP exp) CC(CC)C[As]([H])([H]) -43.9Pred
CC(C)C(C)[AsH2]18246148.081C5H13As(3-methylbutan-2-yl)arsaneN196CC(C)C(C)[As]([H])([H])InChI=1S/C5H13As/c1-4(2)5(3)6/h4-5H,6H2,1-3H3InChIKey=JGSJGOUHHOWMEC-UHFFFAOYSA-N90.8Ex 90.75(BP est) -55.68(MP est) ----(BP exp) ----(MP exp) CC(C)C(C)[As]([H])([H]) -55.7Pred
C[AsH]CCCC18247148.081C5H13Asbutyl(methyl)arsaneN196C[As]([H])CCCCInChI=1S/C5H13As/c1-3-4-5-6-2/h6H,3-5H2,1-2H3InChIKey=IWMLAYJDPXLMQM-UHFFFAOYSA-N117.3Ex 117.31(BP est) -41.11(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCCC -41.1Pred
C[As](CC)CC18248148.081C5H13Asdiethyl(methyl)arsaneN196C[As](CC)CCInChI=1S/C5H13As/c1-4-6(3)5-2/h4-5H2,1-3H3InChIKey=SOFNXTVVVUDTGB-UHFFFAOYSA-N115.2Ex 115.15(BP est) -49.92(MP est) ----(BP exp) ----(MP exp) C[As](CC)CC -49.9Pred
C[As](C)CCC18249148.081C5H13Asdimethyl(propyl)arsaneN196C[As](C)CCCInChI=1S/C5H13As/c1-4-5-6(2)3/h4-5H2,1-3H3InChIKey=PEMFMIHOLKIULV-UHFFFAOYSA-N115.2Ex 115.15(BP est) -49.92(MP est) ----(BP exp) ----(MP exp) C[As](C)CCC -49.9Pred
CC[AsH]C(C)C18250148.081C5H13Asethyl(isopropyl)arsaneN196CC[As]([H])C(C)CInChI=1S/C5H13As/c1-4-6-5(2)3/h5-6H,4H2,1-3H3InChIKey=HXFFTRMLPXWEOR-UHFFFAOYSA-N103.1Ex 103.07(BP est) -52.77(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(C)C -52.8Pred
CC[AsH]CCC18251148.081C5H13Asethyl(propyl)arsaneN196CC[As]([H])CCCInChI=1S/C5H13As/c1-3-5-6-4-2/h6H,3-5H2,1-2H3InChIKey=PQDJINYTPMRKKZ-UHFFFAOYSA-N117.3Ex 117.31(BP est) -41.11(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CCC -41.1Pred
CC(C)C[AsH]C18252148.081C5H13Asisobutyl(methyl)arsaneN196CC(C)C[As]([H])CInChI=1S/C5H13As/c1-5(2)4-6-3/h5-6H,4H2,1-3H3InChIKey=FSZFHNXSGPNLEB-UHFFFAOYSA-N103.1Ex 103.07(BP est) -52.77(MP est) ----(BP exp) ----(MP exp) CC(C)C[As]([H])C -52.8Pred
CC(C)CC[AsH2]18253148.081C5H13AsisopentylarsaneN196CC(C)CC[As]([H])([H])InChI=1S/C5H13As/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3InChIKey=MVEVDRLKXUQARS-UHFFFAOYSA-N105.3Ex 105.27(BP est) -43.94(MP est) ----(BP exp) ----(MP exp) CC(C)CC[As]([H])([H]) -43.9Pred
C[As](C)C(C)C18254148.081C5H13AsisopropyldimethylarsaneN196C[As](C)C(C)CInChI=1S/C5H13As/c1-5(2)6(3)4/h5H,1-4H3InChIKey=MZQUVQZKGWXNOY-UHFFFAOYSA-N100.9Ex 100.85(BP est) -61.60(MP est) ----(BP exp) ----(MP exp) C[As](C)C(C)C -61.6Pred
CC(C[AsH2])(C)C18255148.081C5H13AsneopentylarsaneN196CC(C[As]([H])([H]))(C)CInChI=1S/C5H13As/c1-5(2,3)4-6/h4,6H2,1-3H3InChIKey=RKFCUBZIAZEQRG-UHFFFAOYSA-N95.8Ex 95.76(BP est) -38.00(MP est) ----(BP exp) ----(MP exp) CC(C[As]([H])([H]))(C)C -38Pred
CC(CCC)[AsH2]18256148.081C5H13Aspentan-2-ylarsaneN196CC(CCC)[As]([H])([H])InChI=1S/C5H13As/c1-3-4-5(2)6/h5H,3-4,6H2,1-2H3InChIKey=XWUULXUSQOBTND-UHFFFAOYSA-N105.3Ex 105.27(BP est) -43.94(MP est) ----(BP exp) ----(MP exp) CC(CCC)[As]([H])([H]) -43.9Pred
CCC(CC)[AsH2]18257148.081C5H13Aspentan-3-ylarsaneN196CCC(CC)[As]([H])([H])InChI=1S/C5H13As/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3InChIKey=XWUOUSZPYQLOJE-UHFFFAOYSA-N105.3Ex 105.27(BP est) -43.94(MP est) ----(BP exp) ----(MP exp) CCC(CC)[As]([H])([H]) -43.9Pred
CCCCC[AsH2]18258148.081C5H13AspentylarsaneN196CCCCC[As]([H])([H])InChI=1S/C5H13As/c1-2-3-4-5-6/h2-6H2,1H3InChIKey=BUGJXNMDPQFYDQ-UHFFFAOYSA-N119.5Ex 119.47(BP est) -32.29(MP est) ----(BP exp) ----(MP exp) CCCCC[As]([H])([H]) -32.3Pred
C[AsH]C(C)CC18259148.081C5H13Assec-butyl(methyl)arsaneN196C[As]([H])C(C)CCInChI=1S/C5H13As/c1-4-5(2)6-3/h5-6H,4H2,1-3H3InChIKey=NMGGBFDRXYPNOO-UHFFFAOYSA-N103.1Ex 103.07(BP est) -52.77(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)CC -52.8Pred
C[AsH]C(C)(C)C18260148.081C5H13Astert-butyl(methyl)arsaneN196C[As]([H])C(C)(C)CInChI=1S/C5H13As/c1-5(2,3)6-4/h6H,1-4H3InChIKey=QUIXDUVGKGNNQA-UHFFFAOYSA-N93.5Ex 93.52(BP est) -46.84(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)(C)C -46.8Pred
CC([AsH2])(C)CC18261148.081C5H13Astert-pentylarsaneN196CC([As]([H])([H]))(C)CCInChI=1S/C5H13As/c1-4-5(2,3)6/h4,6H2,1-3H3InChIKey=POGKFVXWWUJNFI-UHFFFAOYSA-N95.8Ex 95.76(BP est) -38.00(MP est) ----(BP exp) ----(MP exp) CC([As]([H])([H]))(C)CC -38Pred
N=C(O)C[As](O)O18262166.996C2H6AsNO32-(dihydroxyarsaneyl)acetimidic acidN137N=C(O)C[As](O)OInChI=1S/C2H6AsNO3/c4-2(5)1-3(6)7/h6-7H,1H2,(H2,4,5)InChIKey=RNUUUHPDBXROOL-UHFFFAOYSA-N348.8Ex 348.83(BP est) 114.68(MP est) ----(BP exp) ----(MP exp) N=C(O)C[As](O)O 114.7Pred
NCC[As](C)C18263149.069C4H12AsN2-(dimethylarsaneyl)ethan-1-amineN186NCC[As](C)CInChI=1S/C4H12AsN/c1-5(2)3-4-6/h3-4,6H2,1-2H3InChIKey=NPFKFOVWPGUVNL-UHFFFAOYSA-N152.6Ex 152.64(BP est) -2.98(MP est) ----(BP exp) ----(MP exp) NCC[As](C)C -3Pred
CN(CC[AsH2])C18264149.069C4H12AsN2-arsaneyl-N,N-dimethylethan-1-amineN186CN(CC[As]([H])([H]))CInChI=1S/C4H12AsN/c1-6(2)4-3-5/h3-5H2,1-2H3InChIKey=ZQHIWZNBVHBFDK-UHFFFAOYSA-N118.8Ex 118.82(BP est) -21.88(MP est) ----(BP exp) ----(MP exp) CN(CC[As]([H])([H]))C -21.9Pred
O[As](O)C(C=C)F18265167.999C3H6AsFO2(1-fluoroallyl)arsonous acidN137O[As](O)C(C=C)FInChI=1S/C3H6AsFO2/c1-2-3(5)4(6)7/h2-3,6-7H,1H2InChIKey=OXFQLLBYTGOIKX-UHFFFAOYSA-N246.4Ex 246.37(BP est) 29.85(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C=C)F 29.9Pred
O[As](O)CC(F)=C18266167.999C3H6AsFO2(2-fluoroallyl)arsonous acidN137O[As](O)CC(F)=CInChI=1S/C3H6AsFO2/c1-3(5)2-4(6)7/h6-7H,1-2H2InChIKey=AGYKKRWUXPILDM-UHFFFAOYSA-N252.2Ex 252.15(BP est) 32.06(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(F)=C 32.1Pred
O[As](O)CC=CF18267167.999C3H6AsFO2(3-fluoroallyl)arsonous acidN137O[As](O)CC=CFInChI=1S/C3H6AsFO2/c5-3-1-2-4(6)7/h1,3,6-7H,2H2InChIKey=NBTWGUNOZQNYFA-UHFFFAOYSA-N263.4Ex 263.36(BP est) 40.65(MP est) ----(BP exp) ----(MP exp) O[As](O)CC=CF 40.7Pred
O=[As]1(O)CCC118268150.009C3H7AsO21-hydroxyarsetane 1-oxideN136O=[As]1(O)CCC1InChI=1S/C3H7AsO2/c5-4(6)2-1-3-4/h1-3H2,(H,5,6)InChIKey=AWHOYVAQMJVXRT-UHFFFAOYSA-N205.3Ex 205.25(BP est) 33.90(MP est) ----(BP exp) ----(MP exp) O=[As]1(O)CCC1 33.9Pred
C[AsH]C(C=C)F18269150.028C4H8AsF(1-fluoroallyl)(methyl)arsaneN146C[As]([H])C(C=C)FInChI=1S/C4H8AsF/c1-3-4(6)5-2/h3-5H,1H2,2H3InChIKey=INGMKJRYQFLMIN-UHFFFAOYSA-N79.3Ex 79.28(BP est) -65.93(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C=C)F -65.9Pred
FC(C)[AsH]C=C18270150.028C4H8AsF(1-fluoroethyl)(vinyl)arsaneN146FC(C)[As]([H])C=CInChI=1S/C4H8AsF/c1-3-5-4(2)6/h3-5H,1H2,2H3InChIKey=WSEQGJABHWMBBI-UHFFFAOYSA-N79.3Ex 79.28(BP est) -65.93(MP est) ----(BP exp) ----(MP exp) FC(C)[As]([H])C=C -65.9Pred
C[As](C(F)=C)C18271150.028C4H8AsF(1-fluorovinyl)dimethylarsaneN146C[As](C(F)=C)CInChI=1S/C4H8AsF/c1-4(6)5(2)3/h1H2,2-3H3InChIKey=BWSLJBCIXCBQCC-UHFFFAOYSA-N85.1Ex 85.14(BP est) -71.89(MP est) ----(BP exp) ----(MP exp) C[As](C(F)=C)C -71.9Pred
C[AsH]CC(F)=C18272150.028C4H8AsF(2-fluoroallyl)(methyl)arsaneN146C[As]([H])CC(F)=CInChI=1S/C4H8AsF/c1-4(6)3-5-2/h5H,1,3H2,2H3InChIKey=HHUUZNMZHBCWPL-UHFFFAOYSA-N87.4Ex 87.41(BP est) -63.04(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(F)=C -63Pred
FCC[AsH]C=C18273150.028C4H8AsF(2-fluoroethyl)(vinyl)arsaneN146FCC[As]([H])C=CInChI=1S/C4H8AsF/c1-2-5-3-4-6/h2,5H,1,3-4H2InChIKey=QDSYLQPHGWBEEL-UHFFFAOYSA-N94.1Ex 94.06(BP est) -54.12(MP est) ----(BP exp) ----(MP exp) FCC[As]([H])C=C -54.1Pred
C[As](C=CF)C18274150.028C4H8AsF(2-fluorovinyl)dimethylarsaneN146C[As](C=CF)CInChI=1S/C4H8AsF/c1-5(2)3-4-6/h3-4H,1-2H3InChIKey=KUCLMNUXYTUBKK-UHFFFAOYSA-N101.1Ex 101.06(BP est) -61.92(MP est) ----(BP exp) ----(MP exp) C[As](C=CF)C -61.9Pred
C[AsH]CC=CF18275150.028C4H8AsF(3-fluoroallyl)(methyl)arsaneN146C[As]([H])CC=CFInChI=1S/C4H8AsF/c1-5-3-2-4-6/h2,4-5H,3H2,1H3InChIKey=NLOUIISMWMTAOT-UHFFFAOYSA-N103.3Ex 103.27(BP est) -53.09(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC=CF -53.1Pred
C[As](C=C)CF18276150.028C4H8AsF(fluoromethyl)(methyl)(vinyl)arsaneN146C[As](C=C)CFInChI=1S/C4H8AsF/c1-3-5(2)4-6/h3H,1,4H2,2H3InChIKey=BPPDORNAPQGXGE-UHFFFAOYSA-N91.8Ex 91.81(BP est) -62.96(MP est) ----(BP exp) ----(MP exp) C[As](C=C)CF -63Pred
FC(C)[As]1CC118277150.028C4H8AsF1-(1-fluoroethyl)arsiraneN146FC(C)[As]1CC1InChI=1S/C4H8AsF/c1-4(6)5-2-3-5/h4H,2-3H2,1H3InChIKey=MTNRNRXJOTXARK-UHFFFAOYSA-N87.9Ex 87.91(BP est) -57.87(MP est) ----(BP exp) ----(MP exp) FC(C)[As]1CC1 -57.9Pred
FCC[As]1CC118278150.028C4H8AsF1-(2-fluoroethyl)arsiraneN146FCC[As]1CC1InChI=1S/C4H8AsF/c6-4-3-5-1-2-5/h1-4H2InChIKey=SBGHWOPNCDHXMN-UHFFFAOYSA-N102.5Ex 102.50(BP est) -46.11(MP est) ----(BP exp) ----(MP exp) FCC[As]1CC1 -46.1Pred
FC[As]1CCC118279150.028C4H8AsF1-(fluoromethyl)arsetaneN146FC[As]1CCC1InChI=1S/C4H8AsF/c6-4-5-2-1-3-5/h1-4H2InChIKey=JYJRMIPSBVYUFW-UHFFFAOYSA-N104.7Ex 104.69(BP est) -47.23(MP est) ----(BP exp) ----(MP exp) FC[As]1CCC1 -47.2Pred
FC1[As](CC)C118280150.028C4H8AsF1-ethyl-2-fluoroarsiraneN146FC1[As](CC)C1InChI=1S/C4H8AsF/c1-2-5-3-4(5)6/h4H,2-3H2,1H3InChIKey=YBFZPCOATNAXGW-UHFFFAOYSA-N95.5Ex 95.53(BP est) -50.26(MP est) ----(BP exp) ----(MP exp) FC1[As](CC)C1 -50.3Pred
C[As]1CCC1F18281150.028C4H8AsF2-fluoro-1-methylarsetaneN146C[As]1CCC1FInChI=1S/C4H8AsF/c1-5-3-2-4(5)6/h4H,2-3H2,1H3InChIKey=KOVUGUCEJFJRRZ-UHFFFAOYSA-N97.7Ex 97.74(BP est) -51.38(MP est) ----(BP exp) ----(MP exp) C[As]1CCC1F -51.4Pred
FC1[AsH]CCC118282150.028C4H8AsF2-fluoroarsolaneN146FC1[As]([H])CCC1InChI=1S/C4H8AsF/c6-4-2-1-3-5-4/h4-5H,1-3H2InChIKey=VVLYZCVAFJRVCY-UHFFFAOYSA-N102.2Ex 102.17(BP est) -43.66(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])CCC1 -43.7Pred
C[As]1CC(F)C118283150.028C4H8AsF3-fluoro-1-methylarsetaneN146C[As]1CC(F)C1InChI=1S/C4H8AsF/c1-5-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=VVQUKYLDQGDNMQ-UHFFFAOYSA-N97.7Ex 97.74(BP est) -51.38(MP est) ----(BP exp) ----(MP exp) C[As]1CC(F)C1 -51.4Pred
FC1CC[AsH]C118284150.028C4H8AsF3-fluoroarsolaneN146FC1CC[As]([H])C1InChI=1S/C4H8AsF/c6-4-1-2-5-3-4/h4-5H,1-3H2InChIKey=LLELTSLMUTTXER-UHFFFAOYSA-N102.2Ex 102.17(BP est) -43.66(MP est) ----(BP exp) ----(MP exp) FC1CC[As]([H])C1 -43.7Pred
FC[AsH]CC=C18285150.028C4H8AsFallyl(fluoromethyl)arsaneN146FC[As]([H])CC=CInChI=1S/C4H8AsF/c1-2-3-5-4-6/h2,5H,1,3-4H2InChIKey=NKYNSWNHLGXBET-UHFFFAOYSA-N94.1Ex 94.06(BP est) -54.12(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CC=C -54.1Pred
CC[AsH]C(F)=C18286150.028C4H8AsFethyl(1-fluorovinyl)arsaneN146CC[As]([H])C(F)=CInChI=1S/C4H8AsF/c1-3-5-4(2)6/h5H,2-3H2,1H3InChIKey=UDYXFVRPMSTVPS-UHFFFAOYSA-N87.4Ex 87.41(BP est) -63.04(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(F)=C -63Pred
CC[AsH]C=CF18287150.028C4H8AsFethyl(2-fluorovinyl)arsaneN146CC[As]([H])C=CFInChI=1S/C4H8AsF/c1-2-5-3-4-6/h3-5H,2H2,1H3InChIKey=WJTMSLXNYICMES-UHFFFAOYSA-N103.3Ex 103.27(BP est) -53.09(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C=CF -53.1Pred
O=[As](C)(C)CC18288150.053C4H11AsOethyldimethylarsine oxideN176O=[As](C)(C)CCInChI=1S/C4H11AsO/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=UMJDDMSUTKEIPS-UHFFFAOYSA-N120.7Ex 120.72(BP est) 1.07(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)CC 1.1Pred
ClC(C#C)[AsH2]18289150.437C3H4AsCl(1-chloroprop-2-yn-1-yl)arsaneN95ClC(C#C)[As]([H])([H])InChI=1S/C3H4AsCl/c1-2-3(4)5/h1,3H,4H2InChIKey=YNRSPPXPJLWKGK-UHFFFAOYSA-N116.7Ex 116.69(BP est) -13.43(MP est) ----(BP exp) ----(MP exp) ClC(C#C)[As]([H])([H]) -13.4Pred
[AsH2]CC#CCl18290150.437C3H4AsCl(3-chloroprop-2-yn-1-yl)arsaneN95[As]([H])([H])CC#CClInChI=1S/C3H4AsCl/c4-2-1-3-5/h2,4H2InChIKey=ZOMFTUXWAACXMX-UHFFFAOYSA-N124.7Ex 124.66(BP est) 25.96(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC#CCl 26Pred
C[AsH]C#CCl18291150.437C3H4AsCl(chloroethynyl)(methyl)arsaneN95C[As]([H])C#CClInChI=1S/C3H4AsCl/c1-4-2-3-5/h4H,1H3InChIKey=XRHRQOISBNSYNR-UHFFFAOYSA-N122.5Ex 122.52(BP est) 17.15(MP est) ----(BP exp) ----(MP exp) C[As]([H])C#CCl 17.2Pred
ClC[AsH]C#C18292150.437C3H4AsCl(chloromethyl)(ethynyl)arsaneN95ClC[As]([H])C#CInChI=1S/C3H4AsCl/c1-2-4-3-5/h1,4H,3H2InChIKey=NVZBOVOMXDEWQD-UHFFFAOYSA-N140.9Ex 140.89(BP est) -7.05(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C#C -7.1Pred
ClC1[AsH]C=C118293150.437C3H4AsCl2-chloro-1,2-dihydroarseteN95ClC1[As]([H])C=C1InChI=1S/C3H4AsCl/c5-3-1-2-4-3/h1-4HInChIKey=CNFJUPLYLDJNJX-UHFFFAOYSA-N127.4Ex 127.37(BP est) -25.13(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C=C1 -25.1Pred
ClC1=C[AsH]C118294150.437C3H4AsCl3-chloro-1,2-dihydroarseteN95ClC1=C[As]([H])C1InChI=1S/C3H4AsCl/c5-3-1-4-2-3/h1,4H,2H2InChIKey=APIDOEKDPLWNOB-UHFFFAOYSA-N117.4Ex 117.43(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) ClC1=C[As]([H])C1 -19.7Pred
ClC1=CC[AsH]118295150.437C3H4AsCl4-chloro-1,2-dihydroarseteN95ClC1=CC[As]([H])1InChI=1S/C3H4AsCl/c5-3-1-2-4-3/h1,4H,2H2InChIKey=LELSXZBORQCDRI-UHFFFAOYSA-N117.4Ex 117.43(BP est) -19.65(MP est) ----(BP exp) ----(MP exp) ClC1=CC[As]([H])1 -19.7Pred
O=[As](C)(CN)C18296151.041C3H10AsNO(aminomethyl)dimethylarsine oxideN166O=[As](C)(CN)CInChI=1S/C3H10AsNO/c1-4(2,6)3-5/h3,5H2,1-2H3InChIKey=GNRXKBMKJGDFDM-UHFFFAOYSA-N157.9Ex 157.86(BP est) 13.21(MP est) ----(BP exp) ----(MP exp) O=[As](C)(CN)C 13.2Pred
[AsH2]C(F)(F)C#C18297151.975C3H3AsF2(1,1-difluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(F)(F)C#CInChI=1S/C3H3AsF2/c1-2-3(4,5)6/h1H,4H2InChIKey=YKDIAMRWMPZPRB-UHFFFAOYSA-N59.7Ex 59.65(BP est) -35.74(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)C#C -35.7Pred
[AsH2]C(C#CF)F18298151.975C3H3AsF2(1,3-difluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CF)FInChI=1S/C3H3AsF2/c4-3(6)1-2-5/h3H,4H2InChIKey=HYUPIVWGSQLNFF-UHFFFAOYSA-N79.0Ex 79.01(BP est) -9.23(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CF)F -9.2Pred
FC(F)[AsH]C#C18299151.975C3H3AsF2(difluoromethyl)(ethynyl)arsaneN96FC(F)[As]([H])C#CInChI=1S/C3H3AsF2/c1-2-4-3(5)6/h1,3-4HInChIKey=SKXSCCAYRBSZAJ-UHFFFAOYSA-N67.4Ex 67.36(BP est) -50.39(MP est) ----(BP exp) ----(MP exp) FC(F)[As]([H])C#C -50.4Pred
FC[AsH]C#CF18300151.975C3H3AsF2(fluoroethynyl)(fluoromethyl)arsaneN96FC[As]([H])C#CFInChI=1S/C3H3AsF2/c5-2-1-4-3-6/h4H,3H2InChIKey=XUCCOCDCRVGRHX-UHFFFAOYSA-N91.6Ex 91.55(BP est) -6.26(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C#CF -6.3Pred
FC1(F)[AsH]C=C118301151.975C3H3AsF22,2-difluoro-1,2-dihydroarseteN96FC1(F)[As]([H])C=C1InChI=1S/C3H3AsF2/c5-3(6)1-2-4-3/h1-2,4HInChIKey=KRHFMRKUNSJABW-UHFFFAOYSA-N68.0Ex 68.01(BP est) -44.88(MP est) ----(BP exp) ----(MP exp) FC1(F)[As]([H])C=C1 -44.9Pred
FC1[AsH]C=C1F18302151.975C3H3AsF22,3-difluoro-1,2-dihydroarseteN96FC1[As]([H])C=C1FInChI=1S/C3H3AsF2/c5-2-1-4-3(2)6/h1,3-4HInChIKey=VAUPFUDUYXDSGY-UHFFFAOYSA-N79.1Ex 79.05(BP est) -47.35(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C=C1F -47.4Pred
FC1[AsH]C(F)=C118303151.975C3H3AsF22,4-difluoro-1,2-dihydroarseteN96FC1[As]([H])C(F)=C1InChI=1S/C3H3AsF2/c5-2-1-3(6)4-2/h1-2,4HInChIKey=KHUTUHGFZOLKNI-UHFFFAOYSA-N79.1Ex 79.05(BP est) -47.35(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C(F)=C1 -47.4Pred
FC1=C(F)C[AsH]118304151.975C3H3AsF23,4-difluoro-1,2-dihydroarseteN96FC1=C(F)C[As]([H])1InChI=1S/C3H3AsF2/c5-2-1-4-3(2)6/h4H,1H2InChIKey=CCUMTAHRKGMHIV-UHFFFAOYSA-N84.1Ex 84.09(BP est) -37.50(MP est) ----(BP exp) ----(MP exp) FC1=C(F)C[As]([H])1 -37.5Pred
O=[As](C=C)(O)O18305151.981C2H5AsO3vinylarsonic acidN116O=[As](C=C)(O)OInChI=1S/C2H5AsO3/c1-2-3(4,5)6/h2H,1H2,(H2,4,5,6)InChIKey=JRYUSJCJMLSMBI-UHFFFAOYSA-N259.3Ex 259.27(BP est) 63.96(MP est) ----(BP exp) ----(MP exp) O=[As](C=C)(O)O 64Pred
O[As](O)C(CC)F18306170.015C3H8AsFO2(1-fluoropropyl)arsonous acidN157O[As](O)C(CC)FInChI=1S/C3H8AsFO2/c1-2-3(5)4(6)7/h3,6-7H,2H2,1H3InChIKey=YOAFOGVLDUXMQW-UHFFFAOYSA-N247.7Ex 247.69(BP est) 31.12(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CC)F 31.1Pred
O[As](O)CC(C)F18307170.015C3H8AsFO2(2-fluoropropyl)arsonous acidN157O[As](O)CC(C)FInChI=1S/C3H8AsFO2/c1-3(5)2-4(6)7/h3,6-7H,2H2,1H3InChIKey=UDKYKXYBOAZZOR-UHFFFAOYSA-N247.7Ex 247.69(BP est) 31.12(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(C)F 31.1Pred
O[As](O)CCCF18308170.015C3H8AsFO2(3-fluoropropyl)arsonous acidN157O[As](O)CCCFInChI=1S/C3H8AsFO2/c5-3-1-2-4(6)7/h6-7H,1-3H2InChIKey=DXXIUHJHNBLDQV-UHFFFAOYSA-N258.1Ex 258.14(BP est) 41.67(MP est) ----(BP exp) ----(MP exp) O[As](O)CCCF 41.7Pred
O=[As]1(CF)CC118309152C3H6AsFO1-(fluoromethyl)arsirane 1-oxideN126O=[As]1(CF)CC1InChI=1S/C3H6AsFO/c5-3-4(6)1-2-4/h1-3H2InChIKey=ISEZSFZIVYFPOF-UHFFFAOYSA-N108.2Ex 108.19(BP est) 4.92(MP est) ----(BP exp) ----(MP exp) O=[As]1(CF)CC1 4.9Pred
O=[As]1(C)CC1F18310152C3H6AsFO2-fluoro-1-methylarsirane 1-oxideN126O=[As]1(C)CC1FInChI=1S/C3H6AsFO/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=HETHSPWMIBUXKD-UHFFFAOYSA-N101.3Ex 101.28(BP est) 0.78(MP est) ----(BP exp) ----(MP exp) O=[As]1(C)CC1F 0.8Pred
O=[As](C)(CO)C18311152.025C3H9AsO2(hydroxymethyl)dimethylarsine oxideN156O=[As](C)(CO)CInChI=1S/C3H9AsO2/c1-4(2,6)3-5/h5H,3H2,1-2H3InChIKey=LRZHUEKHBLYXKF-UHFFFAOYSA-N181.1Ex 181.09(BP est) 17.77(MP est) ----(BP exp) ----(MP exp) O=[As](C)(CO)C 17.8Pred
O=[As](C)(CC)O18312152.025C3H9AsO2ethyl(methyl)arsinic acidN156O=[As](C)(CC)OInChI=1S/C3H9AsO2/c1-3-4(2,5)6/h3H2,1-2H3,(H,5,6)InChIKey=DZYQGWISKJIEQL-UHFFFAOYSA-N196.1Ex 196.10(BP est) 24.35(MP est) ----(BP exp) ----(MP exp) O=[As](C)(CC)O 24.4Pred
C[As](C(C)F)C18314152.044C4H10AsF(1-fluoroethyl)dimethylarsaneN166C[As](C(C)F)CInChI=1S/C4H10AsF/c1-4(6)5(2)3/h4H,1-3H3InChIKey=FBYWRMVFCDIRKW-UHFFFAOYSA-N78.8Ex 78.84(BP est) -73.36(MP est) ----(BP exp) ----(MP exp) C[As](C(C)F)C -73.4Pred
C[AsH]C(CC)F18315152.044C4H10AsF(1-fluoropropyl)(methyl)arsaneN166C[As]([H])C(CC)FInChI=1S/C4H10AsF/c1-3-4(6)5-2/h4-5H,3H2,1-2H3InChIKey=AIIVLWQFOCFSJN-UHFFFAOYSA-N81.1Ex 81.13(BP est) -64.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CC)F -64.5Pred
C[As](CCF)C18316152.044C4H10AsF(2-fluoroethyl)dimethylarsaneN166C[As](CCF)CInChI=1S/C4H10AsF/c1-5(2)3-4-6/h3-4H2,1-2H3InChIKey=KLCSBKCUQXEMKJ-UHFFFAOYSA-N93.6Ex 93.63(BP est) -61.55(MP est) ----(BP exp) ----(MP exp) C[As](CCF)C -61.6Pred
C[AsH]CC(C)F18317152.044C4H10AsF(2-fluoropropyl)(methyl)arsaneN166C[As]([H])CC(C)FInChI=1S/C4H10AsF/c1-4(6)3-5-2/h4-5H,3H2,1-2H3InChIKey=CQIHPYQLNFJTRW-UHFFFAOYSA-N81.1Ex 81.13(BP est) -64.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(C)F -64.5Pred
C[AsH]CCCF18318152.044C4H10AsF(3-fluoropropyl)(methyl)arsaneN166C[As]([H])CCCFInChI=1S/C4H10AsF/c1-5-3-2-4-6/h5H,2-4H2,1H3InChIKey=ZFXPKLDILXNGCO-UHFFFAOYSA-N95.9Ex 95.87(BP est) -52.71(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCCF -52.7Pred
FC[AsH]CCC18319152.044C4H10AsF(fluoromethyl)(propyl)arsaneN166FC[As]([H])CCCInChI=1S/C4H10AsF/c1-2-3-5-4-6/h5H,2-4H2,1H3InChIKey=BRJWRYMOTVPZIT-UHFFFAOYSA-N95.9Ex 95.87(BP est) -52.71(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CCC -52.7Pred
CC[AsH]C(C)F18320152.044C4H10AsFethyl(1-fluoroethyl)arsaneN166CC[As]([H])C(C)FInChI=1S/C4H10AsF/c1-3-5-4(2)6/h4-5H,3H2,1-2H3InChIKey=RGHACLMMLANYIK-UHFFFAOYSA-N81.1Ex 81.13(BP est) -64.51(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(C)F -64.5Pred
CC[AsH]CCF18321152.044C4H10AsFethyl(2-fluoroethyl)arsaneN166CC[As]([H])CCFInChI=1S/C4H10AsF/c1-2-5-3-4-6/h5H,2-4H2,1H3InChIKey=VKSGEXYYZSQYHQ-UHFFFAOYSA-N95.9Ex 95.87(BP est) -52.71(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CCF -52.7Pred
C[As](CC)CF18322152.044C4H10AsFethyl(fluoromethyl)(methyl)arsaneN166C[As](CC)CFInChI=1S/C4H10AsF/c1-3-5(2)4-6/h3-4H2,1-2H3InChIKey=TVIDALYBUZBNDI-UHFFFAOYSA-N93.6Ex 93.63(BP est) -61.55(MP est) ----(BP exp) ----(MP exp) C[As](CC)CF -61.6Pred
CCS[AsH]C18323152.087C3H9AsS(ethylthio)(methyl)arsaneN145CCS[As]([H])CInChI=1S/C3H9AsS/c1-3-5-4-2/h4H,3H2,1-2H3InChIKey=DGIFEKANMBXXBM-UHFFFAOYSA-N137.2Ex 137.21(BP est) -29.37(MP est) ----(BP exp) ----(MP exp) CCS[As]([H])C -29.4Pred
S=[As](C)(C)C18324152.087C3H9AsStrimethylarsine sulfideN145S=[As](C)(C)CInChI=1S/C3H9AsS/c1-4(2,3)5/h1-3H3InChIKey=POPXJRHXSZWPAQ-UHFFFAOYSA-N66.4Ex 66.44(BP est) -75.41(MP est) ----(BP exp) ----(MP exp) S=[As](C)(C)C -75.4Pred
O[As](O)C(Cl)=C18325170.424C2H4AsClO2(1-chlorovinyl)arsonous acidN106O[As](O)C(Cl)=CInChI=1S/C2H4AsClO2/c1-2(4)3(5)6/h5-6H,1H2InChIKey=RDRMBTITOWCPJV-UHFFFAOYSA-N259.1Ex 259.06(BP est) 43.11(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)=C 43.1Pred
O[As](O)C=CCl18326170.424C2H4AsClO2(2-chlorovinyl)arsonous acidN106O[As](O)C=CClInChI=1S/C2H4AsClO2/c4-2-1-3(5)6/h1-2,5-6HInChIKey=HOVKNGHQENGTOX-UHFFFAOYSA-N270.0Ex 270.03(BP est) 51.63(MP est) ----(BP exp) ----(MP exp) O[As](O)C=CCl 51.6Pred
ClC(C=C)[AsH2]18327152.453C3H6AsCl(1-chloroallyl)arsaneN115ClC(C=C)[As]([H])([H])InChI=1S/C3H6AsCl/c1-2-3(4)5/h2-3H,1,4H2InChIKey=RAVPCCCXLXOKIM-UHFFFAOYSA-N106.7Ex 106.65(BP est) -40.72(MP est) ----(BP exp) ----(MP exp) ClC(C=C)[As]([H])([H]) -40.7Pred
ClC1([AsH2])CC118328152.453C3H6AsCl(1-chlorocyclopropyl)arsaneN115ClC1([As]([H])([H]))CC1InChI=1S/C3H6AsCl/c4-3(5)1-2-3/h1-2,4H2InChIKey=BIDRFEORLHNGJD-UHFFFAOYSA-N101.3Ex 101.30(BP est) -12.99(MP est) ----(BP exp) ----(MP exp) ClC1([As]([H])([H]))CC1 -13Pred
C[AsH]C(Cl)=C18329152.453C3H6AsCl(1-chlorovinyl)(methyl)arsaneN115C[As]([H])C(Cl)=CInChI=1S/C3H6AsCl/c1-3(5)4-2/h4H,1H2,2H3InChIKey=VICKKGZUBZOKOR-UHFFFAOYSA-N97.2Ex 97.17(BP est) -51.16(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)=C -51.2Pred
ClC(C[AsH2])=C18330152.453C3H6AsCl(2-chloroallyl)arsaneN115ClC(C[As]([H])([H]))=CInChI=1S/C3H6AsCl/c1-3(5)2-4/h1-2,4H2InChIKey=OVWKXZKPRABSPF-UHFFFAOYSA-N99.4Ex 99.40(BP est) -42.32(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))=C -42.3Pred
ClC1CC1[AsH2]18331152.453C3H6AsCl(2-chlorocyclopropyl)arsaneN115ClC1CC1[As]([H])([H])InChI=1S/C3H6AsCl/c4-2-1-3(2)5/h2-3H,1,4H2InChIKey=PQUCKXFEIKXUDH-UHFFFAOYSA-N119.8Ex 119.77(BP est) -21.66(MP est) ----(BP exp) ----(MP exp) ClC1CC1[As]([H])([H]) -21.7Pred
C[AsH]C=CCl18332152.453C3H6AsCl(2-chlorovinyl)(methyl)arsaneN115C[As]([H])C=CClInChI=1S/C3H6AsCl/c1-4-2-3-5/h2-4H,1H3InChIKey=DYECPNVDWCPFBR-UHFFFAOYSA-N112.8Ex 112.80(BP est) -41.27(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=CCl -41.3Pred
ClC=CC[AsH2]18333152.453C3H6AsCl(3-chloroallyl)arsaneN115ClC=CC[As]([H])([H])InChI=1S/C3H6AsCl/c4-2-1-3-5/h1,3H,2,4H2InChIKey=QXVTWSHGBYZYEF-UHFFFAOYSA-N115.0Ex 114.98(BP est) -32.45(MP est) ----(BP exp) ----(MP exp) ClC=CC[As]([H])([H]) -32.5Pred
ClC[AsH]C=C18334152.453C3H6AsCl(chloromethyl)(vinyl)arsaneN115ClC[As]([H])C=CInChI=1S/C3H6AsCl/c1-2-4-3-5/h2,4H,1,3H2InChIKey=VVNLFPFXKZXDTI-UHFFFAOYSA-N131.3Ex 131.25(BP est) -34.23(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C=C -34.2Pred
ClC[As]1CC118335152.453C3H6AsCl1-(chloromethyl)arsiraneN115ClC[As]1CC1InChI=1S/C3H6AsCl/c5-3-4-1-2-4/h1-3H2InChIKey=SAUANSVCLSNHBK-UHFFFAOYSA-N139.2Ex 139.20(BP est) -26.36(MP est) ----(BP exp) ----(MP exp) ClC[As]1CC1 -26.4Pred
C[As]1CC1Cl18336152.453C3H6AsCl2-chloro-1-methylarsiraneN115C[As]1CC1ClInChI=1S/C3H6AsCl/c1-4-2-3(4)5/h3H,2H2,1H3InChIKey=ZYZNMWWNUGMMSB-UHFFFAOYSA-N120.1Ex 120.08(BP est) -34.06(MP est) ----(BP exp) ----(MP exp) C[As]1CC1Cl -34.1Pred
ClC1[AsH]CC118337152.453C3H6AsCl2-chloroarsetaneN115ClC1[As]([H])CC1InChI=1S/C3H6AsCl/c5-3-1-2-4-3/h3-4H,1-2H2InChIKey=MKJYSKBNUGPWSV-UHFFFAOYSA-N124.3Ex 124.34(BP est) -26.39(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])CC1 -26.4Pred
ClC1C[AsH]C118338152.453C3H6AsCl3-chloroarsetaneN115ClC1C[As]([H])C1InChI=1S/C3H6AsCl/c5-3-1-4-2-3/h3-4H,1-2H2InChIKey=VUYSGIUZCSHBHL-UHFFFAOYSA-N124.3Ex 124.34(BP est) -26.39(MP est) ----(BP exp) ----(MP exp) ClC1C[As]([H])C1 -26.4Pred
C[As](CN)(O)=O18339153.013C2H8AsNO2(aminomethyl)(methyl)arsinic acidN146C[As](CN)(O)=OInChI=1S/C2H8AsNO2/c1-3(5,6)2-4/h2,4H2,1H3,(H,5,6)InChIKey=HSCLPULGTKKSTN-UHFFFAOYSA-N228.0Ex 228.04(BP est) 56.33(MP est) ----(BP exp) ----(MP exp) C[As](CN)(O)=O 56.3Pred
O[As](O)C(F)=CF18340171.962C2H3AsF2O2(1,2-difluorovinyl)arsonous acidN107O[As](O)C(F)=CFInChI=1S/C2H3AsF2O2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=MWEDCIIILOQFMN-UHFFFAOYSA-N243.0Ex 243.00(BP est) 22.39(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)=CF 22.4Pred
O[As](O)C=C(F)F18341171.962C2H3AsF2O2(2,2-difluorovinyl)arsonous acidN107O[As](O)C=C(F)FInChI=1S/C2H3AsF2O2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=YCYGLFGOLFWIBG-UHFFFAOYSA-N243.0Ex 243.00(BP est) 22.39(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(F)F 22.4Pred
O=C[As](O)(O)=O18342153.953CH3AsO4formylarsonic acidN96O=C[As](O)(O)=OInChI=1S/CH3AsO4/c3-1-2(4,5)6/h1H,(H2,4,5,6)InChIKey=VSGZTCHMGOJVSF-UHFFFAOYSA-N285.5Ex 285.48(BP est) 83.56(MP est) ----(BP exp) ----(MP exp) O=C[As](O)(O)=O 83.6Pred
O=[As]1(O)CC1F18343153.972C2H4AsFO22-fluoro-1-hydroxyarsirane 1-oxideN106O=[As]1(O)CC1FInChI=1S/C2H4AsFO2/c4-2-1-3(2,5)6/h2H,1H2,(H,5,6)InChIKey=FGQQMCXZFIDUID-UHFFFAOYSA-N179.3Ex 179.25(BP est) 19.66(MP est) ----(BP exp) ----(MP exp) O=[As]1(O)CC1F 19.7Pred
[AsH2]C(F)(F)C=C18344153.991C3H5AsF2(1,1-difluoroallyl)arsaneN116[As]([H])([H])C(F)(F)C=CInChI=1S/C3H5AsF2/c1-2-3(4,5)6/h2H,1,4H2InChIKey=DXNQLCGBNBCVDT-UHFFFAOYSA-N48.7Ex 48.72(BP est) -63.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)C=C -63.3Pred
[AsH2]C(C(F)=C)F18345153.991C3H5AsF2(1,2-difluoroallyl)arsaneN116[As]([H])([H])C(C(F)=C)FInChI=1S/C3H5AsF2/c1-2(5)3(4)6/h3H,1,4H2InChIKey=KDCPETYDRWIFSB-UHFFFAOYSA-N51.9Ex 51.91(BP est) -78.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)=C)F -78.1Pred
C[AsH]C(F)=CF18346153.991C3H5AsF2(1,2-difluorovinyl)(methyl)arsaneN116C[As]([H])C(F)=CFInChI=1S/C3H5AsF2/c1-4-3(6)2-5/h2,4H,1H3InChIKey=PWIQEYOVCRKKOO-UHFFFAOYSA-N74.6Ex 74.56(BP est) -73.79(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)=CF -73.8Pred
[AsH2]C(C=CF)F18347153.991C3H5AsF2(1,3-difluoroallyl)arsaneN116[As]([H])([H])C(C=CF)FInChI=1S/C3H5AsF2/c4-3(6)1-2-5/h1-3H,4H2InChIKey=UESAOSSYMWHNNO-UHFFFAOYSA-N68.6Ex 68.61(BP est) -67.86(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CF)F -67.9Pred
C[AsH]C=C(F)F18348153.991C3H5AsF2(2,2-difluorovinyl)(methyl)arsaneN116C[As]([H])C=C(F)FInChI=1S/C3H5AsF2/c1-4-2-3(5)6/h2,4H,1H3InChIKey=GONGVAOFEKKMNK-UHFFFAOYSA-N74.6Ex 74.56(BP est) -73.79(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(F)F -73.8Pred
[AsH2]CC(F)=CF18349153.991C3H5AsF2(2,3-difluoroallyl)arsaneN116[As]([H])([H])CC(F)=CFInChI=1S/C3H5AsF2/c4-1-3(6)2-5/h2H,1,4H2InChIKey=QVDDVJLCLCBICL-UHFFFAOYSA-N76.9Ex 76.87(BP est) -64.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)=CF -64.9Pred
[AsH2]CC=C(F)F18350153.991C3H5AsF2(3,3-difluoroallyl)arsaneN116[As]([H])([H])CC=C(F)FInChI=1S/C3H5AsF2/c4-2-1-3(5)6/h1H,2,4H2InChIKey=NKZCDMORVDSART-UHFFFAOYSA-N76.9Ex 76.87(BP est) -64.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(F)F -64.9Pred
FC(F)[AsH]C=C18351153.991C3H5AsF2(difluoromethyl)(vinyl)arsaneN116FC(F)[As]([H])C=CInChI=1S/C3H5AsF2/c1-2-4-3(5)6/h2-4H,1H2InChIKey=HZENXXPPHYKHNL-UHFFFAOYSA-N56.5Ex 56.54(BP est) -77.91(MP est) ----(BP exp) ----(MP exp) FC(F)[As]([H])C=C -77.9Pred
FC[AsH]C(F)=C18352153.991C3H5AsF2(fluoromethyl)(1-fluorovinyl)arsaneN116FC[As]([H])C(F)=CInChI=1S/C3H5AsF2/c1-3(6)4-2-5/h4H,1-2H2InChIKey=NFVWCRCEIXLMCZ-UHFFFAOYSA-N64.9Ex 64.94(BP est) -74.94(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(F)=C -74.9Pred
FC[AsH]C=CF18353153.991C3H5AsF2(fluoromethyl)(2-fluorovinyl)arsaneN116FC[As]([H])C=CFInChI=1S/C3H5AsF2/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=FWLXOGCTZPCSQX-UHFFFAOYSA-N81.3Ex 81.34(BP est) -64.83(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C=CF -64.8Pred
FC(F)[As]1CC118354153.991C3H5AsF21-(difluoromethyl)arsiraneN116FC(F)[As]1CC1InChI=1S/C3H5AsF2/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=YTAYHNCGGLBVIH-UHFFFAOYSA-N65.5Ex 65.46(BP est) -69.76(MP est) ----(BP exp) ----(MP exp) FC(F)[As]1CC1 -69.8Pred
C[As]1CC1(F)F18355153.991C3H5AsF22,2-difluoro-1-methylarsiraneN116C[As]1CC1(F)FInChI=1S/C3H5AsF2/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=MENOQFMKPDHRDZ-UHFFFAOYSA-N60.0Ex 60.01(BP est) -54.02(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(F)F -54Pred
FC1(F)[AsH]CC118356153.991C3H5AsF22,2-difluoroarsetaneN116FC1(F)[As]([H])CC1InChI=1S/C3H5AsF2/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=GLVBWPBFCSBQGS-UHFFFAOYSA-N64.7Ex 64.69(BP est) -46.23(MP est) ----(BP exp) ----(MP exp) FC1(F)[As]([H])CC1 -46.2Pred
C[As]1C(F)C1F18357153.991C3H5AsF22,3-difluoro-1-methylarsiraneN116C[As]1C(F)C1FInChI=1S/C3H5AsF2/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=MLMWADNVLIEFMY-UHFFFAOYSA-N66.1Ex 66.05(BP est) -66.33(MP est) ----(BP exp) ----(MP exp) C[As]1C(F)C1F -66.3Pred
FC1[AsH]CC1F18358153.991C3H5AsF22,3-difluoroarsetaneN116FC1[As]([H])CC1FInChI=1S/C3H5AsF2/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=YDRLQYXEQRJRAI-UHFFFAOYSA-N70.7Ex 70.68(BP est) -58.55(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])CC1F -58.6Pred
FC1[AsH]C(F)C118359153.991C3H5AsF22,4-difluoroarsetaneN116FC1[As]([H])C(F)C1InChI=1S/C3H5AsF2/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=NKPVXZCFRFGNCB-UHFFFAOYSA-N70.7Ex 70.68(BP est) -58.55(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C(F)C1 -58.6Pred
FC[As]1CC1F18360153.991C3H5AsF22-fluoro-1-(fluoromethyl)arsiraneN116FC[As]1CC1FInChI=1S/C3H5AsF2/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=IVBMCXJJDLTEAG-UHFFFAOYSA-N73.3Ex 73.33(BP est) -62.08(MP est) ----(BP exp) ----(MP exp) FC[As]1CC1F -62.1Pred
FC1(F)C[AsH]C118361153.991C3H5AsF23,3-difluoroarsetaneN116FC1(F)C[As]([H])C1InChI=1S/C3H5AsF2/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=WDCRGGBEEJKUQJ-UHFFFAOYSA-N64.7Ex 64.69(BP est) -46.23(MP est) ----(BP exp) ----(MP exp) FC1(F)C[As]([H])C1 -46.2Pred
O=[As](CO)(C)O18362153.997C2H7AsO3(hydroxymethyl)(methyl)arsinic acidN136O=[As](CO)(C)OInChI=1S/C2H7AsO3/c1-3(5,6)2-4/h4H,2H2,1H3,(H,5,6)InChIKey=IGKFHWCIVPFAOX-UHFFFAOYSA-N247.8Ex 247.83(BP est) 59.39(MP est) ----(BP exp) ----(MP exp) O=[As](CO)(C)O 59.4Pred
O=[As](CC)(O)O18363153.997C2H7AsO3ethylarsonic acidN136O=[As](CC)(O)OInChI=1S/C2H7AsO3/c1-2-3(4,5)6/h2H2,1H3,(H2,4,5,6)InChIKey=YHAUELCERLPWSP-UHFFFAOYSA-N260.5Ex 260.54(BP est) 64.95(MP est) ----(BP exp) 99.50(MP exp) O=[As](CC)(O)O 99.5Expt
O=[As](C)(C)CF18364154.016C3H8AsFO(fluoromethyl)dimethylarsine oxideN146O=[As](C)(C)CFInChI=1S/C3H8AsFO/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=LRGUXBFMJSVSLG-UHFFFAOYSA-N99.4Ex 99.39(BP est) -10.50(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)CF -10.5Pred
C[As](C)(O)=S18365154.059C2H7AsOSdimethylarsinothioic O-acidN125C[As](C)(O)=SInChI=1S/C2H7AsOS/c1-3(2,4)5/h1-2H3,(H,4,5)InChIKey=YBGVNEGTAKTTKS-UHFFFAOYSA-N148.9Ex 148.87(BP est) -26.57(MP est) ----(BP exp) ----(MP exp) C[As](C)(O)=S -26.6Pred
O[As](O)C(C)Cl18366172.44C2H6AsClO2(1-chloroethyl)arsonous acidN126O[As](O)C(C)ClInChI=1S/C2H6AsClO2/c1-2(4)3(5)6/h2,5-6H,1H3InChIKey=YIEHJDCRISUKFD-UHFFFAOYSA-N265.4Ex 265.43(BP est) 45.33(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C)Cl 45.3Pred
O[As](O)CCCl18367172.44C2H6AsClO2(2-chloroethyl)arsonous acidN126O[As](O)CCClInChI=1S/C2H6AsClO2/c4-2-1-3(5)6/h5-6H,1-2H2InChIKey=RBCIBBCUKVCYTH-UHFFFAOYSA-N284.0Ex 283.99(BP est) 58.25(MP est) ----(BP exp) ----(MP exp) O[As](O)CCCl 58.3Pred
C[AsH]C(Cl)C18368154.469C3H8AsCl(1-chloroethyl)(methyl)arsaneN135C[As]([H])C(Cl)CInChI=1S/C3H8AsCl/c1-3(5)4-2/h3-4H,1-2H3InChIKey=HQTJZVZXZVAKBB-UHFFFAOYSA-N106.2Ex 106.23(BP est) -48.15(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)C -48.2Pred
CC(CCl)[AsH2]18369154.469C3H8AsCl(1-chloropropan-2-yl)arsaneN135CC(CCl)[As]([H])([H])InChI=1S/C3H8AsCl/c1-3(4)2-5/h3H,2,4H2,1H3InChIKey=FEUXAIAHDUPRTQ-UHFFFAOYSA-N121.2Ex 121.23(BP est) -35.59(MP est) ----(BP exp) ----(MP exp) CC(CCl)[As]([H])([H]) -35.6Pred
ClC(CC)[AsH2]18370154.469C3H8AsCl(1-chloropropyl)arsaneN135ClC(CC)[As]([H])([H])InChI=1S/C3H8AsCl/c1-2-3(4)5/h3H,2,4H2,1H3InChIKey=CLOKOTOLBXRGBR-UHFFFAOYSA-N108.4Ex 108.42(BP est) -39.33(MP est) ----(BP exp) ----(MP exp) ClC(CC)[As]([H])([H]) -39.3Pred
C[AsH]CCCl18371154.469C3H8AsCl(2-chloroethyl)(methyl)arsaneN135C[As]([H])CCClInChI=1S/C3H8AsCl/c1-4-2-3-5/h4H,2-3H2,1H3InChIKey=SLERTBZJCVQAIW-UHFFFAOYSA-N133.0Ex 132.96(BP est) -32.85(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCCl -32.9Pred
ClC([AsH2])(C)C18372154.469C3H8AsCl(2-chloropropan-2-yl)arsaneN135ClC([As]([H])([H]))(C)CInChI=1S/C3H8AsCl/c1-3(2,4)5/h4H2,1-2H3InChIKey=PYIFHOCZMDJVAA-UHFFFAOYSA-N85.7Ex 85.73(BP est) -37.24(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(C)C -37.2Pred
ClC(C[AsH2])C18373154.469C3H8AsCl(2-chloropropyl)arsaneN135ClC(C[As]([H])([H]))CInChI=1S/C3H8AsCl/c1-3(5)2-4/h3H,2,4H2,1H3InChIKey=JAAQZTRZSRISSA-UHFFFAOYSA-N108.4Ex 108.42(BP est) -39.33(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))C -39.3Pred
ClCCC[AsH2]18374154.469C3H8AsCl(3-chloropropyl)arsaneN135ClCCC[As]([H])([H])InChI=1S/C3H8AsCl/c4-2-1-3-5/h1-4H2InChIKey=WAELQZZODYNGSH-UHFFFAOYSA-N135.1Ex 135.06(BP est) -24.05(MP est) ----(BP exp) ----(MP exp) ClCCC[As]([H])([H]) -24.1Pred
ClC[AsH]CC18375154.469C3H8AsCl(chloromethyl)(ethyl)arsaneN135ClC[As]([H])CCInChI=1S/C3H8AsCl/c1-2-4-3-5/h4H,2-3H2,1H3InChIKey=UPIYDFAUNKSVFF-UHFFFAOYSA-N133.0Ex 132.96(BP est) -32.85(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CC -32.9Pred
C[As](C)CCl18376154.469C3H8AsCl(chloromethyl)dimethylarsaneN135C[As](C)CClInChI=1S/C3H8AsCl/c1-4(2)3-5/h3H2,1-2H3InChIKey=VIJWQVXBEQDZBY-UHFFFAOYSA-N130.9Ex 130.85(BP est) -41.65(MP est) ----(BP exp) ----(MP exp) C[As](C)CCl -41.7Pred
O=[As](CN)(O)O18377154.985CH6AsNO3(aminomethyl)arsonic acidN126O=[As](CN)(O)OInChI=1S/CH6AsNO3/c3-1-2(4,5)6/h1,3H2,(H2,4,5,6)InChIKey=LPQICJWBEHXFEJ-UHFFFAOYSA-N287.3Ex 287.28(BP est) 94.66(MP est) ----(BP exp) ----(MP exp) O=[As](CN)(O)O 94.7Pred
N[As](N)(N)=S18378155.051AsH6N3Sarsorothioic triamideN115N[As](N)(N)=SInChI=1S/AsH6N3S/c2-1(3,4)5/h(H6,2,3,4,5)InChIKey=ZRGWCJSQXPXVSP-UHFFFAOYSA-N234.3Ex 562.48(BP est) 241.78(MP est) ----(BP exp) ----(MP exp) N[As](N)(N)=S 241.8Pred
O[As](O)C(F)(F)C18379173.978C2H5AsF2O2(1,1-difluoroethyl)arsonous acidN127O[As](O)C(F)(F)CInChI=1S/C2H5AsF2O2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=XUGKLBOTCSALCL-UHFFFAOYSA-N224.1Ex 224.05(BP est) 27.59(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)(F)C 27.6Pred
O[As](O)C(CF)F18380173.978C2H5AsF2O2(1,2-difluoroethyl)arsonous acidN127O[As](O)C(CF)FInChI=1S/C2H5AsF2O2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=FEVKTXXQDTZWSI-UHFFFAOYSA-N231.4Ex 231.43(BP est) 21.03(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CF)F 21Pred
O[As](O)CC(F)F18381173.978C2H5AsF2O2(2,2-difluoroethyl)arsonous acidN127O[As](O)CC(F)FInChI=1S/C2H5AsF2O2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=FCGZODIYJIKGBN-UHFFFAOYSA-N231.4Ex 231.43(BP est) 21.03(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(F)F 21Pred
O=[As](CO)(O)O18382155.969CH5AsO4(hydroxymethyl)arsonic acidN116O=[As](CO)(O)OInChI=1S/CH5AsO4/c3-1-2(4,5)6/h3H,1H2,(H2,4,5,6)InChIKey=OQWBJSGEYOEXBP-UHFFFAOYSA-N303.6Ex 303.63(BP est) 96.21(MP est) ----(BP exp) ----(MP exp) O=[As](CO)(O)O 96.2Pred
O=[As](C)(CF)O18383155.988C2H6AsFO2(fluoromethyl)(methyl)arsinic acidN126O=[As](C)(CF)OInChI=1S/C2H6AsFO2/c1-3(5,6)2-4/h2H2,1H3,(H,5,6)InChIKey=BBNFAHWBNOASHP-UHFFFAOYSA-N177.6Ex 177.61(BP est) 13.58(MP est) ----(BP exp) ----(MP exp) O=[As](C)(CF)O 13.6Pred
C[AsH]C(F)(F)C18384156.007C3H7AsF2(1,1-difluoroethyl)(methyl)arsaneN136C[As]([H])C(F)(F)CInChI=1S/C3H7AsF2/c1-3(5,6)4-2/h4H,1-2H3InChIKey=RNBUEDISAQWCKA-UHFFFAOYSA-N48.3Ex 48.26(BP est) -70.74(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)(F)C -70.7Pred
[AsH2]C(F)(F)CC18385156.007C3H7AsF2(1,1-difluoropropyl)arsaneN136[As]([H])([H])C(F)(F)CCInChI=1S/C3H7AsF2/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=WSCIGNHXQRDVET-UHFFFAOYSA-N50.7Ex 50.65(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)CC -61.9Pred
C[AsH]C(CF)F18386156.007C3H7AsF2(1,2-difluoroethyl)(methyl)arsaneN136C[As]([H])C(CF)FInChI=1S/C3H7AsF2/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=JEUQKBZJSVRPCL-UHFFFAOYSA-N58.5Ex 58.45(BP est) -76.47(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CF)F -76.5Pred
[AsH2]C(C(C)F)F18387156.007C3H7AsF2(1,2-difluoropropyl)arsaneN136[As]([H])([H])C(C(C)F)FInChI=1S/C3H7AsF2/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=RBKSDQNTQPVZOT-UHFFFAOYSA-N45.3Ex 45.30(BP est) -79.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)F)F -79.6Pred
[AsH2]C(CCF)F18388156.007C3H7AsF2(1,3-difluoropropyl)arsaneN136[As]([H])([H])C(CCF)FInChI=1S/C3H7AsF2/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=HKWFOLJIDBOTAE-UHFFFAOYSA-N60.8Ex 60.81(BP est) -67.60(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCF)F -67.6Pred
FC[AsH]C(C)F18389156.007C3H7AsF2(1-fluoroethyl)(fluoromethyl)arsaneN136FC[As]([H])C(C)FInChI=1S/C3H7AsF2/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=UBGSPHOMMCEZLS-UHFFFAOYSA-N58.5Ex 58.45(BP est) -76.47(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(C)F -76.5Pred
C[AsH]CC(F)F18390156.007C3H7AsF2(2,2-difluoroethyl)(methyl)arsaneN136C[As]([H])CC(F)FInChI=1S/C3H7AsF2/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=XSQAXWGIOMJZCL-UHFFFAOYSA-N58.5Ex 58.45(BP est) -76.47(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(F)F -76.5Pred
[AsH2]CC(F)(F)C18391156.007C3H7AsF2(2,2-difluoropropyl)arsaneN136[As]([H])([H])CC(F)(F)CInChI=1S/C3H7AsF2/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=RXFUJRRTSAXZCW-UHFFFAOYSA-N50.7Ex 50.65(BP est) -61.85(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)(F)C -61.9Pred
[AsH2]CC(CF)F18392156.007C3H7AsF2(2,3-difluoropropyl)arsaneN136[As]([H])([H])CC(CF)FInChI=1S/C3H7AsF2/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=IGMLIIQFADURGD-UHFFFAOYSA-N60.8Ex 60.81(BP est) -67.60(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CF)F -67.6Pred
FC[AsH]CCF18393156.007C3H7AsF2(2-fluoroethyl)(fluoromethyl)arsaneN136FC[As]([H])CCFInChI=1S/C3H7AsF2/c5-2-1-4-3-6/h4H,1-3H2InChIKey=BMLRJRYMSHUGDW-UHFFFAOYSA-N73.7Ex 73.68(BP est) -64.52(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CCF -64.5Pred
[AsH2]CCC(F)F18394156.007C3H7AsF2(3,3-difluoropropyl)arsaneN136[As]([H])([H])CCC(F)FInChI=1S/C3H7AsF2/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=OWPFSAMHUPFEFL-UHFFFAOYSA-N60.8Ex 60.81(BP est) -67.60(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(F)F -67.6Pred
FC(F)[AsH]CC18395156.007C3H7AsF2(difluoromethyl)(ethyl)arsaneN136FC(F)[As]([H])CCInChI=1S/C3H7AsF2/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=PFRGDMISUJKNSF-UHFFFAOYSA-N58.5Ex 58.45(BP est) -76.47(MP est) ----(BP exp) ----(MP exp) FC(F)[As]([H])CC -76.5Pred
C[As](C(F)F)C18396156.007C3H7AsF2(difluoromethyl)dimethylarsaneN136C[As](C(F)F)CInChI=1S/C3H7AsF2/c1-4(2)3(5)6/h3H,1-2H3InChIKey=MECRBYGHJXEHSK-UHFFFAOYSA-N56.1Ex 56.09(BP est) -85.35(MP est) ----(BP exp) ----(MP exp) C[As](C(F)F)C -85.4Pred
C[As](CF)CF18397156.007C3H7AsF2bis(fluoromethyl)(methyl)arsaneN136C[As](CF)CFInChI=1S/C3H7AsF2/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=APCHZKHZZRITCZ-UHFFFAOYSA-N71.4Ex 71.37(BP est) -73.38(MP est) ----(BP exp) ----(MP exp) C[As](CF)CF -73.4Pred
C[As](O)(O)=S18398156.031CH5AsO2Smethylarsonothioic O,O-acidN105C[As](O)(O)=SInChI=1S/CH5AsO2S/c1-2(3,4)5/h1H3,(H2,3,4,5)InChIKey=KNBCPBZYVCUDOM-UHFFFAOYSA-N220.3Ex 220.34(BP est) 19.07(MP est) ----(BP exp) ----(MP exp) C[As](O)(O)=S 19.1Pred
N[As](N)(O)=S18399156.035AsH5N2OSarsorodiamidothioic O-acidN105N[As](N)(O)=SInChI=1S/AsH5N2OS/c2-1(3,4)5/h(H5,2,3,4,5)InChIKey=HJKANRIYZODXGQ-UHFFFAOYSA-N237.4Ex 583.70(BP est) 251.70(MP est) ----(BP exp) ----(MP exp) N[As](N)(O)=S 251.7Pred
[AsH2]C(Cl)=CF18400156.416C2H3AsClF(1-chloro-2-fluorovinyl)arsaneN85[As]([H])([H])C(Cl)=CFInChI=1S/C2H3AsClF/c3-2(4)1-5/h1H,3H2InChIKey=DZQJDXFCIPYSEK-UHFFFAOYSA-N86.8Ex 86.79(BP est) -53.00(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=CF -53Pred
[AsH2]C(F)=CCl18401156.416C2H3AsClF(2-chloro-1-fluorovinyl)arsaneN85[As]([H])([H])C(F)=CClInChI=1S/C2H3AsClF/c3-2(5)1-4/h1H,3H2InChIKey=VIISOSSKPIFKBE-UHFFFAOYSA-N86.8Ex 86.79(BP est) -53.00(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=CCl -53Pred
[AsH2]C=C(F)Cl18402156.416C2H3AsClF(2-chloro-2-fluorovinyl)arsaneN85[As]([H])([H])C=C(F)ClInChI=1S/C2H3AsClF/c3-1-2(4)5/h1H,3H2InChIKey=FVCKLEOBIJWFCF-UHFFFAOYSA-N86.8Ex 86.79(BP est) -53.00(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(F)Cl -53Pred
ClC1(F)[AsH]C118403156.416C2H3AsClF2-chloro-2-fluoroarsiraneN85ClC1(F)[As]([H])C1InChI=1S/C2H3AsClF/c4-2(5)1-3-2/h3H,1H2InChIKey=RXSHHRDGDYWFTD-UHFFFAOYSA-N74.7Ex 74.72(BP est) -32.51(MP est) ----(BP exp) ----(MP exp) ClC1(F)[As]([H])C1 -32.5Pred
ClC1[AsH]C1F18404156.416C2H3AsClF2-chloro-3-fluoroarsiraneN85ClC1[As]([H])C1FInChI=1S/C2H3AsClF/c4-1-2(5)3-1/h1-3HInChIKey=LHCVGZJTLDFQNN-UHFFFAOYSA-N94.0Ex 93.96(BP est) -40.97(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1F -41Pred
S=[As](O)(N)O18405157.019AsH4NO2Sarsoramidothioic O,O-acidN95S=[As](O)(N)OInChI=1S/AsH4NO2S/c2-1(3,4)5/h(H4,2,3,4,5)InChIKey=HOQUDSGFVPHWQT-UHFFFAOYSA-N240.1Ex 604.92(BP est) 261.61(MP est) ----(BP exp) ----(MP exp) S=[As](O)(N)O 261.6Pred
[AsH2]C(F)=C(F)F18406157.955C2H2AsF3(1,2,2-trifluorovinyl)arsaneN86[As]([H])([H])C(F)=C(F)FInChI=1S/C2H2AsF3/c3-1(4)2(5)6/h3H2InChIKey=CSHJADWXAGEORO-UHFFFAOYSA-N47.0Ex 47.00(BP est) -85.97(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(F)F -86Pred
FC1[AsH]C1(F)F18407157.955C2H2AsF32,2,3-trifluoroarsiraneN86FC1[As]([H])C1(F)FInChI=1S/C2H2AsF3/c4-1-2(5,6)3-1/h1,3HInChIKey=JEZBIILWGGRMJN-UHFFFAOYSA-N31.4Ex 31.44(BP est) -61.64(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(F)F -61.6Pred
O=[As](CF)(O)O18408157.96CH4AsFO3(fluoromethyl)arsonic acidN106O=[As](CF)(O)OInChI=1S/CH4AsFO3/c3-1-2(4,5)6/h1H2,(H2,4,5,6)InChIKey=CAEFJIZDYHYOBK-UHFFFAOYSA-N244.9Ex 244.88(BP est) 55.43(MP est) ----(BP exp) ----(MP exp) O=[As](CF)(O)O 55.4Pred
S=[As](O)(O)O18409158.003AsH3O3Sarsorothioic O,O,O-acidN85S=[As](O)(O)OInChI=1S/AsH3O3S/c2-1(3,4)5/h(H3,2,3,4,5)InChIKey=WBIUNSQUXDDCMH-UHFFFAOYSA-N242.4Ex 626.14(BP est) 271.52(MP est) ----(BP exp) ----(MP exp) S=[As](O)(O)O 271.5Pred
O[As](O)C(F)Cl18410176.403CH3AsClFO2(chlorofluoromethyl)arsonous acidN96O[As](O)C(F)ClInChI=1S/CH3AsClFO2/c3-1(4)2(5)6/h1,5-6HInChIKey=NZFAZMRFAHYRCA-UHFFFAOYSA-N250.0Ex 250.01(BP est) 35.49(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)Cl 35.5Pred
[AsH2]C(Cl)(F)C18411158.432C2H5AsClF(1-chloro-1-fluoroethyl)arsaneN105[As]([H])([H])C(Cl)(F)CInChI=1S/C2H5AsClF/c1-2(3,4)5/h3H2,1H3InChIKey=BBRCTERUPQQDMF-UHFFFAOYSA-N63.2Ex 63.20(BP est) -49.16(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)C -49.2Pred
[AsH2]C(CF)Cl18412158.432C2H5AsClF(1-chloro-2-fluoroethyl)arsaneN105[As]([H])([H])C(CF)ClInChI=1S/C2H5AsClF/c3-2(4)1-5/h2H,1,3H2InChIKey=IBGTWINAJICNOS-UHFFFAOYSA-N86.7Ex 86.67(BP est) -51.02(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CF)Cl -51Pred
[AsH2]C(CCl)F18413158.432C2H5AsClF(2-chloro-1-fluoroethyl)arsaneN105[As]([H])([H])C(CCl)FInChI=1S/C2H5AsClF/c3-2(5)1-4/h2H,1,3H2InChIKey=JUUPBCRXSPEUIR-UHFFFAOYSA-N99.9Ex 99.92(BP est) -47.15(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCl)F -47.2Pred
[AsH2]CC(F)Cl18414158.432C2H5AsClF(2-chloro-2-fluoroethyl)arsaneN105[As]([H])([H])CC(F)ClInChI=1S/C2H5AsClF/c3-1-2(4)5/h2H,1,3H2InChIKey=SZRVWXDLLFHEBH-UHFFFAOYSA-N86.7Ex 86.67(BP est) -51.02(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)Cl -51Pred
C[AsH]C(F)Cl18415158.432C2H5AsClF(chlorofluoromethyl)(methyl)arsaneN105C[As]([H])C(F)ClInChI=1S/C2H5AsClF/c1-3-2(4)5/h2-3H,1H3InChIKey=SKLQYYXAKIDLTK-UHFFFAOYSA-N84.4Ex 84.40(BP est) -59.87(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)Cl -59.9Pred
ClC[AsH]CF18416158.432C2H5AsClF(chloromethyl)(fluoromethyl)arsaneN105ClC[As]([H])CFInChI=1S/C2H5AsClF/c4-1-3-2-5/h3H,1-2H2InChIKey=QWDXCKROPOWHSY-UHFFFAOYSA-N112.1Ex 112.06(BP est) -44.29(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CF -44.3Pred
O[As](O)C(F)(F)F18417177.942CH2AsF3O2(trifluoromethyl)arsonous acidN97O[As](O)C(F)(F)FInChI=1S/CH2AsF3O2/c3-1(4,5)2(6)7/h6-7HInChIKey=VOTOQLWRSNNOEZ-UHFFFAOYSA-N206.7Ex 206.74(BP est) 17.19(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)(F)F 17.2Pred
[AsH2]C(F)(F)CF18418159.971C2H4AsF3(1,1,2-trifluoroethyl)arsaneN106[As]([H])([H])C(F)(F)CFInChI=1S/C2H4AsF3/c3-2(5,6)1-4/h1,3H2InChIKey=SELFTDCDXNCFLF-UHFFFAOYSA-N27.0Ex 26.99(BP est) -74.10(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)CF -74.1Pred
[AsH2]C(C(F)F)F18419159.971C2H4AsF3(1,2,2-trifluoroethyl)arsaneN106[As]([H])([H])C(C(F)F)FInChI=1S/C2H4AsF3/c3-1(4)2(5)6/h1-2H,3H2InChIKey=IOBBXNDEQATGQH-UHFFFAOYSA-N21.5Ex 21.47(BP est) -91.92(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)F)F -91.9Pred
[AsH2]CC(F)(F)F18420159.971C2H4AsF3(2,2,2-trifluoroethyl)arsaneN106[As]([H])([H])CC(F)(F)FInChI=1S/C2H4AsF3/c3-1-2(4,5)6/h1,3H2InChIKey=KXHAKRYQYPOUOP-UHFFFAOYSA-N27.0Ex 26.99(BP est) -74.10(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)(F)F -74.1Pred
FC[AsH]C(F)F18421159.971C2H4AsF3(difluoromethyl)(fluoromethyl)arsaneN106FC[As]([H])C(F)FInChI=1S/C2H4AsF3/c4-1-3-2(5)6/h2-3H,1H2InChIKey=GTWWBJCSRMJIHQ-UHFFFAOYSA-N35.0Ex 35.04(BP est) -88.65(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(F)F -88.7Pred
C[AsH]C(F)(F)F18422159.971C2H4AsF3methyl(trifluoromethyl)arsaneN106C[As]([H])C(F)(F)FInChI=1S/C2H4AsF3/c1-3-2(4,5)6/h3H,1H3InChIKey=XNYYKOGPNRUBCE-UHFFFAOYSA-N24.5Ex 24.52(BP est) -83.01(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)(F)F -83Pred
ClC(Cl)[AsH2]18423160.857CH3AsCl2(dichloromethyl)arsaneN74ClC(Cl)[As]([H])([H])InChI=1S/CH3AsCl2/c2-1(3)4/h1H,2H2InChIKey=MYICKRXVEKXHOX-UHFFFAOYSA-N111.6Ex 111.56(BP est) -34.72(MP est) ----(BP exp) ----(MP exp) ClC(Cl)[As]([H])([H]) -34.7Pred
[AsH2]C(Cl)(F)F18424162.395CH2AsClF2(chlorodifluoromethyl)arsaneN75[As]([H])([H])C(Cl)(F)FInChI=1S/CH2AsClF2/c2-1(3,4)5/h2H2InChIKey=OZSGOGFZZOTTFY-UHFFFAOYSA-N40.0Ex 39.95(BP est) -61.29(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)F -61.3Pred
ClC([AsH]C#C)=C18425162.448C4H4AsCl(1-chlorovinyl)(ethynyl)arsaneN106ClC([As]([H])C#C)=CInChI=1S/C4H4AsCl/c1-3-5-4(2)6/h1,5H,2H2InChIKey=UQUJSNOKGOETSL-UHFFFAOYSA-N129.0Ex 128.95(BP est) -12.76(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])C#C)=C -12.8Pred
ClC=C[AsH]C#C18426162.448C4H4AsCl(2-chlorovinyl)(ethynyl)arsaneN106ClC=C[As]([H])C#CInChI=1S/C4H4AsCl/c1-2-5-3-4-6/h1,3-5HInChIKey=ODLDAFGVXNAACZ-UHFFFAOYSA-N143.8Ex 143.78(BP est) -3.11(MP est) ----(BP exp) ----(MP exp) ClC=C[As]([H])C#C -3.1Pred
C=C[AsH]C#CCl18427162.448C4H4AsCl(chloroethynyl)(vinyl)arsaneN106C=C[As]([H])C#CClInChI=1S/C4H4AsCl/c1-2-5-3-4-6/h2,5H,1H2InChIKey=SARLWCOKXPNGPV-UHFFFAOYSA-N143.6Ex 143.57(BP est) 28.05(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C#CCl 28.1Pred
ClC#C[As]1CC118428162.448C4H4AsCl1-(chloroethynyl)arsiraneN106ClC#C[As]1CC1InChI=1S/C4H4AsCl/c6-4-3-5-1-2-5/h1-2H2InChIKey=XOQTZIMGHMRTLQ-UHFFFAOYSA-N151.3Ex 151.34(BP est) 5.29(MP est) ----(BP exp) ----(MP exp) ClC#C[As]1CC1 5.3Pred
C#C[As]1CC1Cl18429162.448C4H4AsCl2-chloro-1-ethynylarsiraneN106C#C[As]1CC1ClInChI=1S/C4H4AsCl/c1-2-5-3-4(5)6/h1,4H,3H2InChIKey=ICNZRNSKSXEPEW-UHFFFAOYSA-N150.7Ex 150.67(BP est) 3.99(MP est) ----(BP exp) ----(MP exp) C#C[As]1CC1Cl 4Pred
ClC1=CC=C[AsH]118430162.448C4H4AsCl2-chloro-1H-arsoleN106ClC1=CC=C[As]([H])1InChI=1S/C4H4AsCl/c6-4-2-1-3-5-4/h1-3,5HInChIKey=JPQAPXCDGKYART-UHFFFAOYSA-N145.3Ex 145.32(BP est) -7.25(MP est) ----(BP exp) ----(MP exp) ClC1=CC=C[As]([H])1 -7.3Pred
ClC1=C[AsH]C=C118431162.448C4H4AsCl3-chloro-1H-arsoleN106ClC1=C[As]([H])C=C1InChI=1S/C4H4AsCl/c6-4-1-2-5-3-4/h1-3,5HInChIKey=AXLKHGZLVIAPFB-UHFFFAOYSA-N145.3Ex 145.32(BP est) -7.25(MP est) ----(BP exp) ----(MP exp) ClC1=C[As]([H])C=C1 -7.3Pred
C[As](C)(C=C)=S18432164.098C4H9AsSdimethyl(vinyl)arsine sulfideN156C[As](C)(C=C)=SInChI=1S/C4H9AsS/c1-4-5(2,3)6/h4H,1H2,2-3H3InChIKey=SVROBHORNHEGRN-UHFFFAOYSA-N89.4Ex 89.43(BP est) -63.95(MP est) ----(BP exp) ----(MP exp) C[As](C)(C=C)=S -64Pred
O[As](O)C(C#C)Cl18433182.435C3H4AsClO2(1-chloroprop-2-yn-1-yl)arsonous acidN117O[As](O)C(C#C)ClInChI=1S/C3H4AsClO2/c1-2-3(5)4(6)7/h1,3,6-7HInChIKey=CZDNVOHOWGDJJA-UHFFFAOYSA-N287.1Ex 287.14(BP est) 71.85(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C#C)Cl 71.9Pred
O[As](O)CC#CCl18434182.435C3H4AsClO2(3-chloroprop-2-yn-1-yl)arsonous acidN117O[As](O)CC#CClInChI=1S/C3H4AsClO2/c5-3-1-2-4(6)7/h6-7H,2H2InChIKey=LVULZPQDUUESBN-UHFFFAOYSA-N292.4Ex 292.39(BP est) 88.22(MP est) ----(BP exp) ----(MP exp) O[As](O)CC#CCl 88.2Pred
ClC(CC#C)[AsH2]18435164.464C4H6AsCl(1-chlorobut-3-yn-1-yl)arsaneN126ClC(CC#C)[As]([H])([H])InChI=1S/C4H6AsCl/c1-2-3-4(5)6/h1,4H,3,5H2InChIKey=YNQNCVJTYZLDRN-UHFFFAOYSA-N139.6Ex 139.62(BP est) -1.10(MP est) ----(BP exp) ----(MP exp) ClC(CC#C)[As]([H])([H]) -1.1Pred
ClCC(C#C)[AsH2]18436164.464C4H6AsCl(1-chlorobut-3-yn-2-yl)arsaneN126ClCC(C#C)[As]([H])([H])InChI=1S/C4H6AsCl/c1-2-4(5)3-6/h1,4H,3,5H2InChIKey=ZERNPVYNKXDUDG-UHFFFAOYSA-N151.8Ex 151.76(BP est) 2.45(MP est) ----(BP exp) ----(MP exp) ClCC(C#C)[As]([H])([H]) 2.5Pred
ClC1([AsH2])C=CC118437164.464C4H6AsCl(1-chlorocyclobut-2-en-1-yl)arsaneN126ClC1([As]([H])([H]))C=CC1InChI=1S/C4H6AsCl/c5-4(6)2-1-3-4/h1-2H,3,5H2InChIKey=JTBNJMKZKJZTLF-UHFFFAOYSA-N129.9Ex 129.94(BP est) -0.37(MP est) ----(BP exp) ----(MP exp) ClC1([As]([H])([H]))C=CC1 -0.4Pred
ClC(C)[AsH]C#C18438164.464C4H6AsCl(1-chloroethyl)(ethynyl)arsaneN126ClC(C)[As]([H])C#CInChI=1S/C4H6AsCl/c1-3-5-4(2)6/h1,4-5H,2H3InChIKey=SIKPANAXGKIRMT-UHFFFAOYSA-N137.5Ex 137.54(BP est) -9.89(MP est) ----(BP exp) ----(MP exp) ClC(C)[As]([H])C#C -9.9Pred
C[AsH]C(Cl)C#C18439164.464C4H6AsCl(1-chloroprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])C(Cl)C#CInChI=1S/C4H6AsCl/c1-3-4(6)5-2/h1,4-5H,2H3InChIKey=QYMSBHJUHYQTOH-UHFFFAOYSA-N137.5Ex 137.54(BP est) -9.89(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)C#C -9.9Pred
C=C[AsH]C(Cl)=C18440164.464C4H6AsCl(1-chlorovinyl)(vinyl)arsaneN126C=C[As]([H])C(Cl)=CInChI=1S/C4H6AsCl/c1-3-5-4(2)6/h3,5H,1-2H2InChIKey=GBUBDRMYLWJLHY-UHFFFAOYSA-N119.1Ex 119.12(BP est) -40.00(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C(Cl)=C -40Pred
ClC(C[AsH2])C#C18441164.464C4H6AsCl(2-chlorobut-3-yn-1-yl)arsaneN126ClC(C[As]([H])([H]))C#CInChI=1S/C4H6AsCl/c1-2-4(6)3-5/h1,4H,3,5H2InChIKey=LZUMXQYBFAAXNS-UHFFFAOYSA-N139.6Ex 139.62(BP est) -1.10(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))C#C -1.1Pred
ClC([AsH2])(C)C#C18442164.464C4H6AsCl(2-chlorobut-3-yn-2-yl)arsaneN126ClC([As]([H])([H]))(C)C#CInChI=1S/C4H6AsCl/c1-3-4(2,5)6/h1H,5H2,2H3InChIKey=GLFJOCVDHZMLMZ-UHFFFAOYSA-N118.1Ex 118.08(BP est) 1.32(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(C)C#C 1.3Pred
ClC1=CCC1[AsH2]18443164.464C4H6AsCl(2-chlorocyclobut-2-en-1-yl)arsaneN126ClC1=CCC1[As]([H])([H])InChI=1S/C4H6AsCl/c5-3-1-2-4(3)6/h2-3H,1,5H2InChIKey=PQFIYVNHQVXSEE-UHFFFAOYSA-N138.0Ex 137.96(BP est) -3.72(MP est) ----(BP exp) ----(MP exp) ClC1=CCC1[As]([H])([H]) -3.7Pred
ClCC[AsH]C#C18444164.464C4H6AsCl(2-chloroethyl)(ethynyl)arsaneN126ClCC[As]([H])C#CInChI=1S/C4H6AsCl/c1-2-5-3-4-6/h1,5H,3-4H2InChIKey=UQLKNPWQAXZUQX-UHFFFAOYSA-N162.9Ex 162.87(BP est) 5.00(MP est) ----(BP exp) ----(MP exp) ClCC[As]([H])C#C 5Pred
C=C[AsH]C=CCl18445164.464C4H6AsCl(2-chlorovinyl)(vinyl)arsaneN126C=C[As]([H])C=CClInChI=1S/C4H6AsCl/c1-2-5-3-4-6/h2-5H,1H2InChIKey=ADXYASMUHLWXLJ-UHFFFAOYSA-N134.2Ex 134.20(BP est) -30.27(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C=CCl -30.3Pred
ClC(C1)=CC1[AsH2]18446164.464C4H6AsCl(3-chlorocyclobut-2-en-1-yl)arsaneN126ClC(C1)=CC1[As]([H])([H])InChI=1S/C4H6AsCl/c5-3-1-4(6)2-3/h1,3H,2,5H2InChIKey=XMHZPUBYWCBUAG-UHFFFAOYSA-N138.0Ex 137.96(BP est) -3.72(MP est) ----(BP exp) ----(MP exp) ClC(C1)=CC1[As]([H])([H]) -3.7Pred
C[AsH]CC#CCl18447164.464C4H6AsCl(3-chloroprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])CC#CClInChI=1S/C4H6AsCl/c1-5-3-2-4-6/h5H,3H2,1H3InChIKey=USTSLNAXAHKZBG-UHFFFAOYSA-N145.2Ex 145.23(BP est) 29.42(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC#CCl 29.4Pred
ClC#CCC[AsH2]18448164.464C4H6AsCl(4-chlorobut-3-yn-1-yl)arsaneN126ClC#CCC[As]([H])([H])InChI=1S/C4H6AsCl/c5-3-1-2-4-6/h1,3,5H2InChIKey=YLDZOTLMHQAUDR-UHFFFAOYSA-N147.3Ex 147.29(BP est) 5.27(MP est) ----(BP exp) ----(MP exp) ClC#CCC[As]([H])([H]) 5.3Pred
CC(C#CCl)[AsH2]18449164.464C4H6AsCl(4-chlorobut-3-yn-2-yl)arsaneN126CC(C#CCl)[As]([H])([H])InChI=1S/C4H6AsCl/c1-4(5)2-3-6/h4H,5H2,1H3InChIKey=QAGURNUVKHZIFN-UHFFFAOYSA-N133.8Ex 133.75(BP est) 26.75(MP est) ----(BP exp) ----(MP exp) CC(C#CCl)[As]([H])([H]) 26.8Pred
ClC1C=CC1[AsH2]18450164.464C4H6AsCl(4-chlorocyclobut-2-en-1-yl)arsaneN126ClC1C=CC1[As]([H])([H])InChI=1S/C4H6AsCl/c5-3-1-2-4(3)6/h1-4H,5H2InChIKey=FUGMNPCOMHYHKY-UHFFFAOYSA-N147.6Ex 147.55(BP est) -9.30(MP est) ----(BP exp) ----(MP exp) ClC1C=CC1[As]([H])([H]) -9.3Pred
CC[AsH]C#CCl18451164.464C4H6AsCl(chloroethynyl)(ethyl)arsaneN126CC[As]([H])C#CClInChI=1S/C4H6AsCl/c1-2-5-3-4-6/h5H,2H2,1H3InChIKey=AGUUZCDMBTXXFR-UHFFFAOYSA-N145.2Ex 145.23(BP est) 29.42(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C#CCl 29.4Pred
C[As](C#CCl)C18452164.464C4H6AsCl(chloroethynyl)dimethylarsaneN126C[As](C#CCl)CInChI=1S/C4H6AsCl/c1-5(2)3-4-6/h1-2H3InChIKey=XSCXBQXCEXFSFX-UHFFFAOYSA-N143.2Ex 143.17(BP est) 20.63(MP est) ----(BP exp) ----(MP exp) C[As](C#CCl)C 20.6Pred
C[As](C#C)CCl18453164.464C4H6AsCl(chloromethyl)(ethynyl)(methyl)arsaneN126C[As](C#C)CClInChI=1S/C4H6AsCl/c1-3-5(2)4-6/h1H,4H2,2H3InChIKey=VDHDEKLQEJZLEG-UHFFFAOYSA-N160.9Ex 160.87(BP est) -3.76(MP est) ----(BP exp) ----(MP exp) C[As](C#C)CCl -3.8Pred
ClC[AsH]CC#C18454164.464C4H6AsCl(chloromethyl)(prop-2-yn-1-yl)arsaneN126ClC[As]([H])CC#CInChI=1S/C4H6AsCl/c1-2-3-5-4-6/h1,5H,3-4H2InChIKey=APGOLFIMNGJLLO-UHFFFAOYSA-N162.9Ex 162.87(BP est) 5.00(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CC#C 5Pred
ClC([As]1CC1)=C18455164.464C4H6AsCl1-(1-chlorovinyl)arsiraneN126ClC([As]1CC1)=CInChI=1S/C4H6AsCl/c1-4(6)5-2-3-5/h1-3H2InChIKey=ISFZFXYQYGRXRE-UHFFFAOYSA-N127.2Ex 127.23(BP est) -32.08(MP est) ----(BP exp) ----(MP exp) ClC([As]1CC1)=C -32.1Pred
ClC=C[As]1CC118456164.464C4H6AsCl1-(2-chlorovinyl)arsiraneN126ClC=C[As]1CC1InChI=1S/C4H6AsCl/c6-4-3-5-1-2-5/h3-4H,1-2H2InChIKey=LIEMUDUYKWXCTQ-UHFFFAOYSA-N142.1Ex 142.10(BP est) -22.42(MP est) ----(BP exp) ----(MP exp) ClC=C[As]1CC1 -22.4Pred
ClC[As]1CC=C118457164.464C4H6AsCl1-(chloromethyl)-1,2-dihydroarseteN126ClC[As]1CC=C1InChI=1S/C4H6AsCl/c6-4-5-2-1-3-5/h1-2H,3-4H2InChIKey=OSMCKGUARHYZTO-UHFFFAOYSA-N166.0Ex 166.04(BP est) -14.27(MP est) ----(BP exp) ----(MP exp) ClC[As]1CC=C1 -14.3Pred
C[As]1C(Cl)C=C118458164.464C4H6AsCl2-chloro-1-methyl-1,2-dihydroarseteN126C[As]1C(Cl)C=C1InChI=1S/C4H6AsCl/c1-5-3-2-4(5)6/h2-4H,1H3InChIKey=UHAAFFVHGCTOCJ-UHFFFAOYSA-N147.8Ex 147.84(BP est) -21.70(MP est) ----(BP exp) ----(MP exp) C[As]1C(Cl)C=C1 -21.7Pred
ClC1[As](C=C)C118459164.464C4H6AsCl2-chloro-1-vinylarsiraneN126ClC1[As](C=C)C1InChI=1S/C4H6AsCl/c1-2-5-3-4(5)6/h2,4H,1,3H2InChIKey=LDMKPYIDAJHWKD-UHFFFAOYSA-N141.2Ex 141.21(BP est) -23.14(MP est) ----(BP exp) ----(MP exp) ClC1[As](C=C)C1 -23.1Pred
ClC1[AsH]C=CC118460164.464C4H6AsCl2-chloro-2,3-dihydro-1H-arsoleN126ClC1[As]([H])C=CC1InChI=1S/C4H6AsCl/c6-4-2-1-3-5-4/h1,3-5H,2H2InChIKey=NJSQCOFHTHGFBL-UHFFFAOYSA-N151.9Ex 151.91(BP est) -14.09(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C=CC1 -14.1Pred
C[As]1CC(Cl)=C118461164.464C4H6AsCl3-chloro-1-methyl-1,2-dihydroarseteN126C[As]1CC(Cl)=C1InChI=1S/C4H6AsCl/c1-5-2-4(6)3-5/h2H,3H2,1H3InChIKey=BMPQRWVAKLGQIM-UHFFFAOYSA-N138.3Ex 138.26(BP est) -16.12(MP est) ----(BP exp) ----(MP exp) C[As]1CC(Cl)=C1 -16.1Pred
ClC1C[AsH]C=C118462164.464C4H6AsCl3-chloro-2,3-dihydro-1H-arsoleN126ClC1C[As]([H])C=C1InChI=1S/C4H6AsCl/c6-4-1-2-5-3-4/h1-2,4-5H,3H2InChIKey=QPCXNAWKJONNKV-UHFFFAOYSA-N151.9Ex 151.91(BP est) -14.09(MP est) ----(BP exp) ----(MP exp) ClC1C[As]([H])C=C1 -14.1Pred
C[As]1CC=C1Cl18463164.464C4H6AsCl4-chloro-1-methyl-1,2-dihydroarseteN126C[As]1CC=C1ClInChI=1S/C4H6AsCl/c1-5-3-2-4(5)6/h2H,3H2,1H3InChIKey=ZHMVZCLTWRBZAC-UHFFFAOYSA-N138.3Ex 138.26(BP est) -16.12(MP est) ----(BP exp) ----(MP exp) C[As]1CC=C1Cl -16.1Pred
ClC1=C[AsH]CC118464164.464C4H6AsCl4-chloro-2,3-dihydro-1H-arsoleN126ClC1=C[As]([H])CC1InChI=1S/C4H6AsCl/c6-4-1-2-5-3-4/h3,5H,1-2H2InChIKey=OQHBHNOYLWYGQJ-UHFFFAOYSA-N142.4Ex 142.39(BP est) -8.49(MP est) ----(BP exp) ----(MP exp) ClC1=C[As]([H])CC1 -8.5Pred
ClC1=CCC[AsH]118465164.464C4H6AsCl5-chloro-2,3-dihydro-1H-arsoleN126ClC1=CCC[As]([H])1InChI=1S/C4H6AsCl/c6-4-2-1-3-5-4/h2,5H,1,3H2InChIKey=ZSUMLMUWABNBLM-UHFFFAOYSA-N142.4Ex 142.39(BP est) -8.49(MP est) ----(BP exp) ----(MP exp) ClC1=CCC[As]([H])1 -8.5Pred
CCNC([AsH2])=S18466165.086C3H8AsNSN-ethylarsanecarbothioamideN146CCNC([As]([H])([H]))=SInChI=1S/C3H8AsNS/c1-2-5-3(4)6/h2,4H2,1H3,(H,5,6)InChIKey=CUOIXMNFBIOTHB-UHFFFAOYSA-N190.5Ex 190.45(BP est) 20.20(MP est) ----(BP exp) ----(MP exp) CCNC([As]([H])([H]))=S 20.2Pred
SCC[As](C)C18467166.114C4H11AsS2-(dimethylarsaneyl)ethane-1-thiolN176SCC[As](C)CInChI=1S/C4H11AsS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3InChIKey=OAXPHCSXJJZYPC-UHFFFAOYSA-N170.2Ex 170.23(BP est) -21.25(MP est) ----(BP exp) ----(MP exp) SCC[As](C)C -21.3Pred
S=[As](C)(CC)C18468166.114C4H11AsSethyldimethylarsine sulfideN176S=[As](C)(CC)CInChI=1S/C4H11AsS/c1-4-5(2,3)6/h4H2,1-3H3InChIKey=BTAZNGZIMJANFX-UHFFFAOYSA-N91.3Ex 91.25(BP est) -62.54(MP est) ----(BP exp) ----(MP exp) S=[As](C)(CC)C -62.5Pred
O[As](O)C(C=C)Cl18469184.451C3H6AsClO2(1-chloroallyl)arsonous acidN137O[As](O)C(C=C)ClInChI=1S/C3H6AsClO2/c1-2-3(5)4(6)7/h2-3,6-7H,1H2InChIKey=MZXSHCIOSGDBMP-UHFFFAOYSA-N280.5Ex 280.47(BP est) 54.47(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C=C)Cl 54.5Pred
ClC(C#C)[AsH]O18470166.436C3H4AsClO(1-chloroprop-2-yn-1-yl)(hydroxy)arsaneN106ClC(C#C)[As]([H])OInChI=1S/C3H4AsClO/c1-2-3(5)4-6/h1,3-4,6HInChIKey=VPJVVNMAVYIFRD-UHFFFAOYSA-N210.6Ex 210.61(BP est) 27.25(MP est) ----(BP exp) ----(MP exp) ClC(C#C)[As]([H])O 27.3Pred
O[As](O)CC(Cl)=C18471184.451C3H6AsClO2(2-chloroallyl)arsonous acidN137O[As](O)CC(Cl)=CInChI=1S/C3H6AsClO2/c1-3(5)2-4(6)7/h6-7H,1-2H2InChIKey=DCWCMTBUNFGQHH-UHFFFAOYSA-N275.6Ex 275.63(BP est) 53.58(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(Cl)=C 53.6Pred
O[As](O)CC=CCl18472184.451C3H6AsClO2(3-chloroallyl)arsonous acidN137O[As](O)CC=CClInChI=1S/C3H6AsClO2/c5-3-1-2-4(6)7/h1,3,6-7H,2H2InChIKey=VZLKYZZBSWBMLP-UHFFFAOYSA-N286.0Ex 286.00(BP est) 61.93(MP est) ----(BP exp) ----(MP exp) O[As](O)CC=CCl 61.9Pred
ClC1(C[AsH2])CC118473166.48C4H8AsCl((1-chlorocyclopropyl)methyl)arsaneN146ClC1(C[As]([H])([H]))CC1InChI=1S/C4H8AsCl/c5-3-4(6)1-2-4/h1-3,5H2InChIKey=XAAPUCFLBPULPC-UHFFFAOYSA-N124.8Ex 124.82(BP est) -0.48(MP est) ----(BP exp) ----(MP exp) ClC1(C[As]([H])([H]))CC1 -0.5Pred
ClC1CC1C[AsH2]18474166.48C4H8AsCl((2-chlorocyclopropyl)methyl)arsaneN146ClC1CC1C[As]([H])([H])InChI=1S/C4H8AsCl/c5-2-3-1-4(3)6/h3-4H,1-2,5H2InChIKey=LSIKGVDGMQKCEU-UHFFFAOYSA-N142.6Ex 142.59(BP est) -9.37(MP est) ----(BP exp) ----(MP exp) ClC1CC1C[As]([H])([H]) -9.4Pred
ClCC1([AsH2])CC118475166.48C4H8AsCl(1-(chloromethyl)cyclopropyl)arsaneN146ClCC1([As]([H])([H]))CC1InChI=1S/C4H8AsCl/c5-4(3-6)1-2-4/h1-3,5H2InChIKey=PMHSSDBRKHJACK-UHFFFAOYSA-N149.4Ex 149.43(BP est) 6.70(MP est) ----(BP exp) ----(MP exp) ClCC1([As]([H])([H]))CC1 6.7Pred
C[AsH]C(Cl)C=C18476166.48C4H8AsCl(1-chloroallyl)(methyl)arsaneN146C[As]([H])C(Cl)C=CInChI=1S/C4H8AsCl/c1-3-4(6)5-2/h3-5H,1H2,2H3InChIKey=VQZJRZGGEDUETA-UHFFFAOYSA-N127.9Ex 127.85(BP est) -37.08(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)C=C -37.1Pred
ClC(CC=C)[AsH2]18477166.48C4H8AsCl(1-chlorobut-3-en-1-yl)arsaneN146ClC(CC=C)[As]([H])([H])InChI=1S/C4H8AsCl/c1-2-3-4(5)6/h2,4H,1,3,5H2InChIKey=PPUZVENPJYCGHE-UHFFFAOYSA-N130.0Ex 129.97(BP est) -28.28(MP est) ----(BP exp) ----(MP exp) ClC(CC=C)[As]([H])([H]) -28.3Pred
ClCC(C=C)[AsH2]18478166.48C4H8AsCl(1-chlorobut-3-en-2-yl)arsaneN146ClCC(C=C)[As]([H])([H])InChI=1S/C4H8AsCl/c1-2-4(5)3-6/h2,4H,1,3,5H2InChIKey=YPNCPFGWHIJAGD-UHFFFAOYSA-N142.3Ex 142.32(BP est) -24.68(MP est) ----(BP exp) ----(MP exp) ClCC(C=C)[As]([H])([H]) -24.7Pred
ClC1([AsH2])CCC118479166.48C4H8AsCl(1-chlorocyclobutyl)arsaneN146ClC1([As]([H])([H]))CCC1InChI=1S/C4H8AsCl/c5-4(6)2-1-3-4/h1-3,5H2InChIKey=LNGSEARBFOJSQG-UHFFFAOYSA-N126.9Ex 126.93(BP est) -1.63(MP est) ----(BP exp) ----(MP exp) ClC1([As]([H])([H]))CCC1 -1.6Pred
C[AsH]C1(Cl)CC118480166.48C4H8AsCl(1-chlorocyclopropyl)(methyl)arsaneN146C[As]([H])C1(Cl)CC1InChI=1S/C4H8AsCl/c1-5-4(6)2-3-4/h5H,2-3H2,1H3InChIKey=MSJAWWUVBZQDOR-UHFFFAOYSA-N122.7Ex 122.68(BP est) -9.29(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1(Cl)CC1 -9.3Pred
ClC(C)[AsH]C=C18481166.48C4H8AsCl(1-chloroethyl)(vinyl)arsaneN146ClC(C)[As]([H])C=CInChI=1S/C4H8AsCl/c1-3-5-4(2)6/h3-5H,1H2,2H3InChIKey=QMDYMCHDEDSGMW-UHFFFAOYSA-N127.9Ex 127.85(BP est) -37.08(MP est) ----(BP exp) ----(MP exp) ClC(C)[As]([H])C=C -37.1Pred
CC[AsH]C(Cl)=C18482166.48C4H8AsCl(1-chlorovinyl)(ethyl)arsaneN146CC[As]([H])C(Cl)=CInChI=1S/C4H8AsCl/c1-3-5-4(2)6/h5H,2-3H2,1H3InChIKey=SUUMOQJCNVBFQF-UHFFFAOYSA-N120.9Ex 120.85(BP est) -38.61(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(Cl)=C -38.6Pred
C[As](C(Cl)=C)C18483166.48C4H8AsCl(1-chlorovinyl)dimethylarsaneN146C[As](C(Cl)=C)CInChI=1S/C4H8AsCl/c1-4(6)5(2)3/h1H2,2-3H3InChIKey=XKINDIJPGXYKBG-UHFFFAOYSA-N118.7Ex 118.70(BP est) -47.42(MP est) ----(BP exp) ----(MP exp) C[As](C(Cl)=C)C -47.4Pred
CC1([AsH2])C(Cl)C118484166.48C4H8AsCl(2-chloro-1-methylcyclopropyl)arsaneN146CC1([As]([H])([H]))C(Cl)C1InChI=1S/C4H8AsCl/c1-4(5)2-3(4)6/h3H,2,5H2,1H3InChIKey=ZLPQZAMBBLAOCI-UHFFFAOYSA-N130.7Ex 130.66(BP est) -0.90(MP est) ----(BP exp) ----(MP exp) CC1([As]([H])([H]))C(Cl)C1 -0.9Pred
C[AsH]CC(Cl)=C18485166.48C4H8AsCl(2-chloroallyl)(methyl)arsaneN146C[As]([H])CC(Cl)=CInChI=1S/C4H8AsCl/c1-4(6)3-5-2/h5H,1,3H2,2H3InChIKey=HZRVLAUMEUIDJN-UHFFFAOYSA-N120.9Ex 120.85(BP est) -38.61(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(Cl)=C -38.6Pred
ClC(C[AsH2])C=C18486166.48C4H8AsCl(2-chlorobut-3-en-1-yl)arsaneN146ClC(C[As]([H])([H]))C=CInChI=1S/C4H8AsCl/c1-2-4(6)3-5/h2,4H,1,3,5H2InChIKey=LJKNMCGSWBUNJP-UHFFFAOYSA-N130.0Ex 129.97(BP est) -28.28(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))C=C -28.3Pred
ClC([AsH2])(C)C=C18487166.48C4H8AsCl(2-chlorobut-3-en-2-yl)arsaneN146ClC([As]([H])([H]))(C)C=CInChI=1S/C4H8AsCl/c1-3-4(2,5)6/h3H,1,5H2,2H3InChIKey=QWRWRBSCQWWWBO-UHFFFAOYSA-N108.1Ex 108.06(BP est) -25.97(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(C)C=C -26Pred
ClC1CCC1[AsH2]18488166.48C4H8AsCl(2-chlorocyclobutyl)arsaneN146ClC1CCC1[As]([H])([H])InChI=1S/C4H8AsCl/c5-3-1-2-4(3)6/h3-4H,1-2,5H2InChIKey=AMPFRZHTOQEIIY-UHFFFAOYSA-N144.6Ex 144.63(BP est) -10.53(MP est) ----(BP exp) ----(MP exp) ClC1CCC1[As]([H])([H]) -10.5Pred
C[AsH]C1C(Cl)C118489166.48C4H8AsCl(2-chlorocyclopropyl)(methyl)arsaneN146C[As]([H])C1C(Cl)C1InChI=1S/C4H8AsCl/c1-5-3-2-4(3)6/h3-5H,2H2,1H3InChIKey=WUXWDKMWYBKLSA-UHFFFAOYSA-N140.5Ex 140.52(BP est) -18.16(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1C(Cl)C1 -18.2Pred
ClCC[AsH]C=C18490166.48C4H8AsCl(2-chloroethyl)(vinyl)arsaneN146ClCC[As]([H])C=CInChI=1S/C4H8AsCl/c1-2-5-3-4-6/h2,5H,1,3-4H2InChIKey=CNWCGAGOHHNUOT-UHFFFAOYSA-N153.6Ex 153.62(BP est) -22.06(MP est) ----(BP exp) ----(MP exp) ClCC[As]([H])C=C -22.1Pred
CC[AsH]C=CCl18491166.48C4H8AsCl(2-chlorovinyl)(ethyl)arsaneN146CC[As]([H])C=CClInChI=1S/C4H8AsCl/c1-2-5-3-4-6/h3-5H,2H2,1H3InChIKey=HJYJQHQGRZVIMP-UHFFFAOYSA-N135.9Ex 135.89(BP est) -28.90(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C=CCl -28.9Pred
C[As](C=CCl)C18492166.48C4H8AsCl(2-chlorovinyl)dimethylarsaneN146C[As](C=CCl)CInChI=1S/C4H8AsCl/c1-5(2)3-4-6/h3-4H,1-2H3InChIKey=VWHXNCGFAJAKOX-UHFFFAOYSA-N133.8Ex 133.79(BP est) -37.70(MP est) ----(BP exp) ----(MP exp) C[As](C=CCl)C -37.7Pred
C[AsH]CC=CCl18493166.48C4H8AsCl(3-chloroallyl)(methyl)arsaneN146C[As]([H])CC=CClInChI=1S/C4H8AsCl/c1-5-3-2-4-6/h2,4-5H,3H2,1H3InChIKey=IELDIZFDILTPDT-UHFFFAOYSA-N135.9Ex 135.89(BP est) -28.90(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC=CCl -28.9Pred
ClC(CC[AsH2])=C18494166.48C4H8AsCl(3-chlorobut-3-en-1-yl)arsaneN146ClC(CC[As]([H])([H]))=CInChI=1S/C4H8AsCl/c1-4(6)2-3-5/h1-3,5H2InChIKey=SDOLPGTXWXHAEY-UHFFFAOYSA-N123.0Ex 123.00(BP est) -29.80(MP est) ----(BP exp) ----(MP exp) ClC(CC[As]([H])([H]))=C -29.8Pred
CC(C(Cl)=C)[AsH2]18495166.48C4H8AsCl(3-chlorobut-3-en-2-yl)arsaneN146CC(C(Cl)=C)[As]([H])([H])InChI=1S/C4H8AsCl/c1-3(5)4(2)6/h3H,2,5H2,1H3InChIKey=SYZFJCZYTQHHKU-UHFFFAOYSA-N108.9Ex 108.88(BP est) -41.42(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)=C)[As]([H])([H]) -41.4Pred
ClC1CC([AsH2])C118496166.48C4H8AsCl(3-chlorocyclobutyl)arsaneN146ClC1CC([As]([H])([H]))C1InChI=1S/C4H8AsCl/c5-3-1-4(6)2-3/h3-4H,1-2,5H2InChIKey=LVLNIXAEVOWXPZ-UHFFFAOYSA-N144.6Ex 144.63(BP est) -10.53(MP est) ----(BP exp) ----(MP exp) ClC1CC([As]([H])([H]))C1 -10.5Pred
ClC=CCC[AsH2]18497166.48C4H8AsCl(4-chlorobut-3-en-1-yl)arsaneN146ClC=CCC[As]([H])([H])InChI=1S/C4H8AsCl/c5-3-1-2-4-6/h2,4H,1,3,5H2InChIKey=HSVGHSJDUXCSIU-UHFFFAOYSA-N138.0Ex 137.98(BP est) -20.10(MP est) ----(BP exp) ----(MP exp) ClC=CCC[As]([H])([H]) -20.1Pred
CC(C=CCl)[AsH2]18498166.48C4H8AsCl(4-chlorobut-3-en-2-yl)arsaneN146CC(C=CCl)[As]([H])([H])InChI=1S/C4H8AsCl/c1-4(5)2-3-6/h2-4H,5H2,1H3InChIKey=CLSGXKZFCOKWOY-UHFFFAOYSA-N124.2Ex 124.22(BP est) -31.62(MP est) ----(BP exp) ----(MP exp) CC(C=CCl)[As]([H])([H]) -31.6Pred
ClC(C1CC1)[AsH2]18499166.48C4H8AsCl(chloro(cyclopropyl)methyl)arsaneN146ClC(C1CC1)[As]([H])([H])InChI=1S/C4H8AsCl/c5-4(6)3-1-2-3/h3-4H,1-2,5H2InChIKey=MOWHSOHACDGWIL-UHFFFAOYSA-N135.5Ex 135.54(BP est) -16.80(MP est) ----(BP exp) ----(MP exp) ClC(C1CC1)[As]([H])([H]) -16.8Pred
ClC[AsH]C1CC118500166.48C4H8AsCl(chloromethyl)(cyclopropyl)arsaneN146ClC[As]([H])C1CC1InChI=1S/C4H8AsCl/c6-3-5-4-1-2-4/h4-5H,1-3H2InChIKey=WFENSKNQCHXCOU-UHFFFAOYSA-N159.0Ex 158.96(BP est) -10.65(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C1CC1 -10.7Pred
C[As](C=C)CCl18501166.48C4H8AsCl(chloromethyl)(methyl)(vinyl)arsaneN146C[As](C=C)CClInChI=1S/C4H8AsCl/c1-3-5(2)4-6/h3H,1,4H2,2H3InChIKey=XVUDHTYVNLKHFG-UHFFFAOYSA-N151.6Ex 151.59(BP est) -30.84(MP est) ----(BP exp) ----(MP exp) C[As](C=C)CCl -30.8Pred
ClC(C)[As]1CC118502166.48C4H8AsCl1-(1-chloroethyl)arsiraneN146ClC(C)[As]1CC1InChI=1S/C4H8AsCl/c1-4(6)5-2-3-5/h4H,2-3H2,1H3InChIKey=QDOLKORIINGYAF-UHFFFAOYSA-N135.8Ex 135.84(BP est) -29.21(MP est) ----(BP exp) ----(MP exp) ClC(C)[As]1CC1 -29.2Pred
ClCC[As]1CC118503166.48C4H8AsCl1-(2-chloroethyl)arsiraneN146ClCC[As]1CC1InChI=1S/C4H8AsCl/c6-4-3-5-1-2-5/h1-4H2InChIKey=SOVKCZPFDBJIBE-UHFFFAOYSA-N161.3Ex 161.25(BP est) -14.29(MP est) ----(BP exp) ----(MP exp) ClCC[As]1CC1 -14.3Pred
ClC[As]1CCC118504166.48C4H8AsCl1-(chloromethyl)arsetaneN146ClC[As]1CCC1InChI=1S/C4H8AsCl/c6-4-5-2-1-3-5/h1-4H2InChIKey=KLGSXHGOAFDRMS-UHFFFAOYSA-N163.2Ex 163.22(BP est) -15.47(MP est) ----(BP exp) ----(MP exp) ClC[As]1CCC1 -15.5Pred
ClC1[As](CC)C118505166.48C4H8AsCl2-chloro-1-ethylarsiraneN146ClC1[As](CC)C1InChI=1S/C4H8AsCl/c1-2-5-3-4(5)6/h4H,2-3H2,1H3InChIKey=PISIESOOIGXMIL-UHFFFAOYSA-N142.9Ex 142.88(BP est) -21.77(MP est) ----(BP exp) ----(MP exp) ClC1[As](CC)C1 -21.8Pred
C[As]1CCC1Cl18506166.48C4H8AsCl2-chloro-1-methylarsetaneN146C[As]1CCC1ClInChI=1S/C4H8AsCl/c1-5-3-2-4(5)6/h4H,2-3H2,1H3InChIKey=PBMXRCWIOOFSGH-UHFFFAOYSA-N144.9Ex 144.93(BP est) -22.93(MP est) ----(BP exp) ----(MP exp) C[As]1CCC1Cl -22.9Pred
ClC1CCC[AsH]118507166.48C4H8AsCl2-chloroarsolaneN146ClC1CCC[As]([H])1InChI=1S/C4H8AsCl/c6-4-2-1-3-5-4/h4-5H,1-3H2InChIKey=HPDLMGWUYNJDMI-UHFFFAOYSA-N149.0Ex 149.01(BP est) -15.32(MP est) ----(BP exp) ----(MP exp) ClC1CCC[As]([H])1 -15.3Pred
C[As]1CC(Cl)C118508166.48C4H8AsCl3-chloro-1-methylarsetaneN146C[As]1CC(Cl)C1InChI=1S/C4H8AsCl/c1-5-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=XIJMLGOSJJBXJC-UHFFFAOYSA-N144.9Ex 144.93(BP est) -22.93(MP est) ----(BP exp) ----(MP exp) C[As]1CC(Cl)C1 -22.9Pred
ClC1C[AsH]CC118509166.48C4H8AsCl3-chloroarsolaneN146ClC1C[As]([H])CC1InChI=1S/C4H8AsCl/c6-4-1-2-5-3-4/h4-5H,1-3H2InChIKey=YTOWXIDAWKXAPA-UHFFFAOYSA-N149.0Ex 149.01(BP est) -15.32(MP est) ----(BP exp) ----(MP exp) ClC1C[As]([H])CC1 -15.3Pred
ClC[AsH]CC=C18510166.48C4H8AsClallyl(chloromethyl)arsaneN146ClC[As]([H])CC=CInChI=1S/C4H8AsCl/c1-2-3-5-4-6/h2,5H,1,3-4H2InChIKey=IBKMTGKOOADPOY-UHFFFAOYSA-N153.6Ex 153.62(BP est) -22.06(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CC=C -22.1Pred
S=[As](C)(C)NC18511167.102C3H10AsNSAs,As,N-trimethylarsinothioic amideN166S=[As](C)(C)NCInChI=1S/C3H10AsNS/c1-4(2,6)5-3/h1-3H3,(H,5,6)InChIKey=IJJQYZRZARHGIN-UHFFFAOYSA-N112.1Ex 112.08(BP est) -35.76(MP est) ----(BP exp) ----(MP exp) S=[As](C)(C)NC -35.8Pred
C[As](C)(SC)=O18512168.086C3H9AsOSS-methyl dimethylarsinothioateN156C[As](C)(SC)=OInChI=1S/C3H9AsOS/c1-4(2,5)6-3/h1-3H3InChIKey=INPKOLAKIOVTSP-UHFFFAOYSA-N162.5Ex 162.50(BP est) 24.83(MP est) ----(BP exp) ----(MP exp) C[As](C)(SC)=O 24.8Pred
[AsH2]C(Cl)(F)C#C18513168.427C3H3AsClF(1-chloro-1-fluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(Cl)(F)C#CInChI=1S/C3H3AsClF/c1-2-3(4,5)6/h1H,4H2InChIKey=SFSYIQSXLKUCFF-UHFFFAOYSA-N96.7Ex 96.66(BP est) -10.27(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)C#C -10.3Pred
[AsH2]C(C#CF)Cl18514168.427C3H3AsClF(1-chloro-3-fluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CF)ClInChI=1S/C3H3AsClF/c4-3(5)1-2-6/h3H,4H2InChIKey=FWYNFWKDVTWXPH-UHFFFAOYSA-N127.6Ex 127.61(BP est) 19.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CF)Cl 19.6Pred
[AsH2]C(C#CCl)F18515168.427C3H3AsClF(3-chloro-1-fluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CCl)FInChI=1S/C3H3AsClF/c4-3(6)1-2-5/h3H,4H2InChIKey=XRPOCHQEYUJCNG-UHFFFAOYSA-N112.9Ex 112.89(BP est) 15.32(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CCl)F 15.3Pred
FC[AsH]C#CCl18516168.427C3H3AsClF(chloroethynyl)(fluoromethyl)arsaneN96FC[As]([H])C#CClInChI=1S/C3H3AsClF/c5-2-1-4-3-6/h4H,3H2InChIKey=HPSFQFYROKYAAU-UHFFFAOYSA-N124.8Ex 124.78(BP est) 18.11(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C#CCl 18.1Pred
ClC(F)[AsH]C#C18517168.427C3H3AsClF(chlorofluoromethyl)(ethynyl)arsaneN96ClC(F)[As]([H])C#CInChI=1S/C3H3AsClF/c1-2-4-3(5)6/h1,3-4HInChIKey=AQLGIJCZRRQOHU-UHFFFAOYSA-N116.8Ex 116.81(BP est) -21.28(MP est) ----(BP exp) ----(MP exp) ClC(F)[As]([H])C#C -21.3Pred
ClC[AsH]C#CF18518168.427C3H3AsClF(chloromethyl)(fluoroethynyl)arsaneN96ClC[As]([H])C#CFInChI=1S/C3H3AsClF/c5-3-4-1-2-6/h4H,3H2InChIKey=RBCNAZXCVXTAAR-UHFFFAOYSA-N151.4Ex 151.35(BP est) 25.87(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C#CF 25.9Pred
ClC1(F)[AsH]C=C118519168.427C3H3AsClF2-chloro-2-fluoro-1,2-dihydroarseteN96ClC1(F)[As]([H])C=C1InChI=1S/C3H3AsClF/c5-3(6)1-2-4-3/h1-2,4HInChIKey=ROQBSXJMZMWSMG-UHFFFAOYSA-N104.6Ex 104.56(BP est) -19.54(MP est) ----(BP exp) ----(MP exp) ClC1(F)[As]([H])C=C1 -19.5Pred
ClC1[AsH]C=C1F18520168.427C3H3AsClF2-chloro-3-fluoro-1,2-dihydroarseteN96ClC1[As]([H])C=C1FInChI=1S/C3H3AsClF/c5-3-2(6)1-4-3/h1,3-4HInChIKey=QFYOZBXGLVSMCY-UHFFFAOYSA-N127.6Ex 127.64(BP est) -18.50(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C=C1F -18.5Pred
ClC1[AsH]C(F)=C118521168.427C3H3AsClF2-chloro-4-fluoro-1,2-dihydroarseteN96ClC1[As]([H])C(F)=C1InChI=1S/C3H3AsClF/c5-2-1-3(6)4-2/h1-2,4HInChIKey=KXDXBBYOVDODDH-UHFFFAOYSA-N127.6Ex 127.64(BP est) -18.50(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(F)=C1 -18.5Pred
FC1[AsH]C=C1Cl18522168.427C3H3AsClF3-chloro-2-fluoro-1,2-dihydroarseteN96FC1[As]([H])C=C1ClInChI=1S/C3H3AsClF/c5-2-1-4-3(2)6/h1,3-4HInChIKey=UKLZXIJQDPQVBP-UHFFFAOYSA-N112.9Ex 112.93(BP est) -22.79(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C=C1Cl -22.8Pred
FC1=C(Cl)C[AsH]118523168.427C3H3AsClF3-chloro-4-fluoro-1,2-dihydroarseteN96FC1=C(Cl)C[As]([H])1InChI=1S/C3H3AsClF/c5-2-1-4-3(2)6/h4H,1H2InChIKey=HROROVSFBHNKNH-UHFFFAOYSA-N117.7Ex 117.71(BP est) -13.02(MP est) ----(BP exp) ----(MP exp) FC1=C(Cl)C[As]([H])1 -13Pred
FC1[AsH]C(Cl)=C118524168.427C3H3AsClF4-chloro-2-fluoro-1,2-dihydroarseteN96FC1[As]([H])C(Cl)=C1InChI=1S/C3H3AsClF/c5-2-1-3(6)4-2/h1,3-4HInChIKey=XQLHXAKINOGQQG-UHFFFAOYSA-N112.9Ex 112.93(BP est) -22.79(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C(Cl)=C1 -22.8Pred
ClC1=C(F)C[AsH]118525168.427C3H3AsClF4-chloro-3-fluoro-1,2-dihydroarseteN96ClC1=C(F)C[As]([H])1InChI=1S/C3H3AsClF/c5-3-2(6)1-4-3/h4H,1H2InChIKey=AKUHDHSTQOUXJO-UHFFFAOYSA-N117.7Ex 117.71(BP est) -13.02(MP est) ----(BP exp) ----(MP exp) ClC1=C(F)C[As]([H])1 -13Pred
O[As](O)C(CC)Cl18526186.467C3H8AsClO2(1-chloropropyl)arsonous acidN157O[As](O)C(CC)ClInChI=1S/C3H8AsClO2/c1-2-3(5)4(6)7/h3,6-7H,2H2,1H3InChIKey=QNDKSBQQNNAKKC-UHFFFAOYSA-N281.7Ex 281.66(BP est) 55.70(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CC)Cl 55.7Pred
O[As](O)CC(C)Cl18527186.467C3H8AsClO2(2-chloropropyl)arsonous acidN157O[As](O)CC(C)ClInChI=1S/C3H8AsClO2/c1-3(5)2-4(6)7/h3,6-7H,2H2,1H3InChIKey=OUFWKXDHWSEYHI-UHFFFAOYSA-N281.7Ex 281.66(BP est) 55.70(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(C)Cl 55.7Pred
O[As](O)CCCCl18528186.467C3H8AsClO2(3-chloropropyl)arsonous acidN157O[As](O)CCCClInChI=1S/C3H8AsClO2/c5-3-1-2-4(6)7/h6-7H,1-3H2InChIKey=OUFXROFHENFHJD-UHFFFAOYSA-N299.2Ex 299.18(BP est) 68.31(MP est) ----(BP exp) ----(MP exp) O[As](O)CCCCl 68.3Pred
O=[As]1(CCl)CC118529168.452C3H6AsClO1-(chloromethyl)arsirane 1-oxideN126O=[As]1(CCl)CC1InChI=1S/C3H6AsClO/c5-3-4(6)1-2-4/h1-3H2InChIKey=QREYPRLKHHKIDH-UHFFFAOYSA-N166.4Ex 166.38(BP est) 10.03(MP est) ----(BP exp) ----(MP exp) O=[As]1(CCl)CC1 10Pred
O=[As]1(C)CC1Cl18530168.452C3H6AsClO2-chloro-1-methylarsirane 1-oxideN126O=[As]1(C)CC1ClInChI=1S/C3H6AsClO/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=RFOPZWAWJQYORG-UHFFFAOYSA-N148.2Ex 148.19(BP est) 29.14(MP est) ----(BP exp) ----(MP exp) O=[As]1(C)CC1Cl 29.1Pred
CC([AsH2])(C)CCl18531168.496C4H10AsCl(1-chloro-2-methylpropan-2-yl)arsaneN166CC([As]([H])([H]))(C)CClInChI=1S/C4H10AsCl/c1-4(2,5)3-6/h3,5H2,1-2H3InChIKey=KBZREKCZFHSSSA-UHFFFAOYSA-N135.1Ex 135.08(BP est) -17.20(MP est) ----(BP exp) ----(MP exp) CC([As]([H])([H]))(C)CCl -17.2Pred
CC(C)C(Cl)[AsH2]18532168.496C4H10AsCl(1-chloro-2-methylpropyl)arsaneN166CC(C)C(Cl)[As]([H])([H])InChI=1S/C4H10AsCl/c1-3(2)4(5)6/h3-4H,5H2,1-2H3InChIKey=LPJPCYXKJIVIRS-UHFFFAOYSA-N117.8Ex 117.77(BP est) -38.46(MP est) ----(BP exp) ----(MP exp) CC(C)C(Cl)[As]([H])([H]) -38.5Pred
ClCC(CC)[AsH2]18533168.496C4H10AsCl(1-chlorobutan-2-yl)arsaneN166ClCC(CC)[As]([H])([H])InChI=1S/C4H10AsCl/c1-2-4(5)3-6/h4H,2-3,5H2,1H3InChIKey=BBNDNDIPYQPDRJ-UHFFFAOYSA-N144.0Ex 143.99(BP est) -23.31(MP est) ----(BP exp) ----(MP exp) ClCC(CC)[As]([H])([H]) -23.3Pred
ClC(CCC)[AsH2]18534168.496C4H10AsCl(1-chlorobutyl)arsaneN166ClC(CCC)[As]([H])([H])InChI=1S/C4H10AsCl/c1-2-3-4(5)6/h4H,2-3,5H2,1H3InChIKey=WTPICRYLWLDYGF-UHFFFAOYSA-N131.7Ex 131.68(BP est) -26.90(MP est) ----(BP exp) ----(MP exp) ClC(CCC)[As]([H])([H]) -26.9Pred
CC[AsH]C(Cl)C18535168.496C4H10AsCl(1-chloroethyl)(ethyl)arsaneN166CC[As]([H])C(Cl)CInChI=1S/C4H10AsCl/c1-3-5-4(2)6/h4-5H,3H2,1-2H3InChIKey=KSSCPKDQHDOPQO-UHFFFAOYSA-N129.6Ex 129.56(BP est) -35.70(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(Cl)C -35.7Pred
C[As](C)C(Cl)C18536168.496C4H10AsCl(1-chloroethyl)dimethylarsaneN166C[As](C)C(Cl)CInChI=1S/C4H10AsCl/c1-4(6)5(2)3/h4H,1-3H3InChIKey=XJOCIJLQZIEUIZ-UHFFFAOYSA-N127.4Ex 127.44(BP est) -44.51(MP est) ----(BP exp) ----(MP exp) C[As](C)C(Cl)C -44.5Pred
C[AsH]C(C)CCl18537168.496C4H10AsCl(1-chloropropan-2-yl)(methyl)arsaneN166C[As]([H])C(C)CClInChI=1S/C4H10AsCl/c1-4(3-6)5-2/h4-5H,3H2,1-2H3InChIKey=FHBGJALCQVQPCG-UHFFFAOYSA-N141.9Ex 141.92(BP est) -32.10(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)CCl -32.1Pred
C[AsH]C(Cl)CC18538168.496C4H10AsCl(1-chloropropyl)(methyl)arsaneN166C[As]([H])C(Cl)CCInChI=1S/C4H10AsCl/c1-3-4(6)5-2/h4-5H,3H2,1-2H3InChIKey=FSZDKQGJGVVQFU-UHFFFAOYSA-N129.6Ex 129.56(BP est) -35.70(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)CC -35.7Pred
ClC(C[AsH2])(C)C18539168.496C4H10AsCl(2-chloro-2-methylpropyl)arsaneN166ClC(C[As]([H])([H]))(C)CInChI=1S/C4H10AsCl/c1-4(2,6)3-5/h3,5H2,1-2H3InChIKey=ANQPOHWGRJNAMU-UHFFFAOYSA-N109.8Ex 109.83(BP est) -24.57(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))(C)C -24.6Pred
ClC([AsH2])(C)CC18540168.496C4H10AsCl(2-chlorobutan-2-yl)arsaneN166ClC([As]([H])([H]))(C)CCInChI=1S/C4H10AsCl/c1-3-4(2,5)6/h3,5H2,1-2H3InChIKey=WZCUCIUNLNEZDM-UHFFFAOYSA-N109.8Ex 109.83(BP est) -24.57(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(C)CC -24.6Pred
ClC(C[AsH2])CC18541168.496C4H10AsCl(2-chlorobutyl)arsaneN166ClC(C[As]([H])([H]))CCInChI=1S/C4H10AsCl/c1-2-4(6)3-5/h4H,2-3,5H2,1H3InChIKey=JQSKECICLTVSNL-UHFFFAOYSA-N131.7Ex 131.68(BP est) -26.90(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))CC -26.9Pred
CC[AsH]CCCl18542168.496C4H10AsCl(2-chloroethyl)(ethyl)arsaneN166CC[As]([H])CCClInChI=1S/C4H10AsCl/c1-2-5-3-4-6/h5H,2-4H2,1H3InChIKey=ROWWNDKLSUQMEX-UHFFFAOYSA-N155.3Ex 155.26(BP est) -20.70(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CCCl -20.7Pred
C[As](C)CCCl18543168.496C4H10AsCl(2-chloroethyl)dimethylarsaneN166C[As](C)CCClInChI=1S/C4H10AsCl/c1-5(2)3-4-6/h3-4H2,1-2H3InChIKey=PDDFAPIBPFBHHJ-UHFFFAOYSA-N153.2Ex 153.23(BP est) -29.48(MP est) ----(BP exp) ----(MP exp) C[As](C)CCCl -29.5Pred
C[AsH]C(C)(Cl)C18544168.496C4H10AsCl(2-chloropropan-2-yl)(methyl)arsaneN166C[As]([H])C(C)(Cl)CInChI=1S/C4H10AsCl/c1-4(2,6)5-3/h5H,1-3H3InChIKey=JRVWRAIHFQFVEJ-UHFFFAOYSA-N107.6Ex 107.64(BP est) -33.40(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)(Cl)C -33.4Pred
C[AsH]CC(Cl)C18545168.496C4H10AsCl(2-chloropropyl)(methyl)arsaneN166C[As]([H])CC(Cl)CInChI=1S/C4H10AsCl/c1-4(6)3-5-2/h4-5H,3H2,1-2H3InChIKey=MTAFCPLSAYBXDO-UHFFFAOYSA-N129.6Ex 129.56(BP est) -35.70(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(Cl)C -35.7Pred
CC(CCl)C[AsH2]18546168.496C4H10AsCl(3-chloro-2-methylpropyl)arsaneN166CC(CCl)C[As]([H])([H])InChI=1S/C4H10AsCl/c1-4(2-5)3-6/h4H,2-3,5H2,1H3InChIKey=HDJLYWVCDIUAKZ-UHFFFAOYSA-N144.0Ex 143.99(BP est) -23.31(MP est) ----(BP exp) ----(MP exp) CC(CCl)C[As]([H])([H]) -23.3Pred
CC(C(Cl)C)[AsH2]18547168.496C4H10AsCl(3-chlorobutan-2-yl)arsaneN166CC(C(Cl)C)[As]([H])([H])InChI=1S/C4H10AsCl/c1-3(5)4(2)6/h3-4H,5H2,1-2H3InChIKey=DLKHRLNAKDFIRF-UHFFFAOYSA-N117.8Ex 117.77(BP est) -38.46(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)C)[As]([H])([H]) -38.5Pred
ClC(CC[AsH2])C18548168.496C4H10AsCl(3-chlorobutyl)arsaneN166ClC(CC[As]([H])([H]))CInChI=1S/C4H10AsCl/c1-4(6)2-3-5/h4H,2-3,5H2,1H3InChIKey=RZBQFICBZFFLSC-UHFFFAOYSA-N131.7Ex 131.68(BP est) -26.90(MP est) ----(BP exp) ----(MP exp) ClC(CC[As]([H])([H]))C -26.9Pred
C[AsH]CCCCl18549168.496C4H10AsCl(3-chloropropyl)(methyl)arsaneN166C[As]([H])CCCClInChI=1S/C4H10AsCl/c1-5-3-2-4-6/h5H,2-4H2,1H3InChIKey=HWPBLJIYBYEABR-UHFFFAOYSA-N155.3Ex 155.26(BP est) -20.70(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCCCl -20.7Pred
CC(CCCl)[AsH2]18550168.496C4H10AsCl(4-chlorobutan-2-yl)arsaneN166CC(CCCl)[As]([H])([H])InChI=1S/C4H10AsCl/c1-4(5)2-3-6/h4H,2-3,5H2,1H3InChIKey=CBRHGYXLHMGPMM-UHFFFAOYSA-N144.0Ex 143.99(BP est) -23.31(MP est) ----(BP exp) ----(MP exp) CC(CCCl)[As]([H])([H]) -23.3Pred
ClCCCC[AsH2]18551168.496C4H10AsCl(4-chlorobutyl)arsaneN166ClCCCC[As]([H])([H])InChI=1S/C4H10AsCl/c5-3-1-2-4-6/h1-5H2InChIKey=KGTKXHUFOIKSER-UHFFFAOYSA-N157.3Ex 157.27(BP est) -11.93(MP est) ----(BP exp) ----(MP exp) ClCCCC[As]([H])([H]) -11.9Pred
C[As](CCl)CC18552168.496C4H10AsCl(chloromethyl)(ethyl)(methyl)arsaneN166C[As](CCl)CCInChI=1S/C4H10AsCl/c1-3-5(2)4-6/h3-4H2,1-2H3InChIKey=JJKOSQUOVQPQRK-UHFFFAOYSA-N153.2Ex 153.23(BP est) -29.48(MP est) ----(BP exp) ----(MP exp) C[As](CCl)CC -29.5Pred
ClC[AsH]C(C)C18553168.496C4H10AsCl(chloromethyl)(isopropyl)arsaneN166ClC[As]([H])C(C)CInChI=1S/C4H10AsCl/c1-4(2)5-3-6/h4-5H,3H2,1-2H3InChIKey=SHIWHBAHZATVRS-UHFFFAOYSA-N141.9Ex 141.92(BP est) -32.10(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(C)C -32.1Pred
ClC[AsH]CCC18554168.496C4H10AsCl(chloromethyl)(propyl)arsaneN166ClC[As]([H])CCCInChI=1S/C4H10AsCl/c1-2-3-5-4-6/h5H,2-4H2,1H3InChIKey=BDCHALQDUVRPAZ-UHFFFAOYSA-N155.3Ex 155.26(BP est) -20.70(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CCC -20.7Pred
O=[As](N)(C)SC18555169.074C2H8AsNOSS-methyl As-methylarsonamidothioateN146O=[As](N)(C)SCInChI=1S/C2H8AsNOS/c1-3(4,5)6-2/h1-2H3,(H2,4,5)InChIKey=BRZTWQZWBLVKTM-UHFFFAOYSA-N196.9Ex 196.86(BP est) 36.07(MP est) ----(BP exp) ----(MP exp) O=[As](N)(C)SC 36.1Pred
S=[As](O)(CC)O18556170.058C2H7AsO2Sethylarsonothioic O,O-acidN136S=[As](O)(CC)OInChI=1S/C2H7AsO2S/c1-2-3(4,5)6/h2H2,1H3,(H2,4,5,6)InChIKey=NPQKNIWVKOLKRU-UHFFFAOYSA-N238.9Ex 238.86(BP est) 30.11(MP est) ----(BP exp) ----(MP exp) S=[As](O)(CC)O 30.1Pred
O[As](O)C(Cl)=CF18557188.414C2H3AsClFO2(1-chloro-2-fluorovinyl)arsonous acidN107O[As](O)C(Cl)=CFInChI=1S/C2H3AsClFO2/c4-2(1-5)3(6)7/h1,6-7HInChIKey=TYTZJUSRUIVADU-UHFFFAOYSA-N267.1Ex 267.14(BP est) 44.10(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)=CF 44.1Pred
O[As](O)C(F)=CCl18558188.414C2H3AsClFO2(2-chloro-1-fluorovinyl)arsonous acidN107O[As](O)C(F)=CClInChI=1S/C2H3AsClFO2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=ZQXKCAANJQEPIU-UHFFFAOYSA-N267.1Ex 267.14(BP est) 44.10(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)=CCl 44.1Pred
O[As](O)C=C(F)Cl18559188.414C2H3AsClFO2(2-chloro-2-fluorovinyl)arsonous acidN107O[As](O)C=C(F)ClInChI=1S/C2H3AsClFO2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=SQSSMPNCQSIWJF-UHFFFAOYSA-N267.1Ex 267.14(BP est) 44.10(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(F)Cl 44.1Pred
O=[As]1(O)CC1Cl18560170.424C2H4AsClO22-chloro-1-hydroxyarsirane 1-oxideN106O=[As]1(O)CC1ClInChI=1S/C2H4AsClO2/c4-2-1-3(2,5)6/h2H,1H2,(H,5,6)InChIKey=OYJDSAFAWRWMGM-UHFFFAOYSA-N219.8Ex 219.76(BP est) 44.74(MP est) ----(BP exp) ----(MP exp) O=[As]1(O)CC1Cl 44.7Pred
[AsH2]C(Cl)(F)C=C18561170.443C3H5AsClF(1-chloro-1-fluoroallyl)arsaneN116[As]([H])([H])C(Cl)(F)C=CInChI=1S/C3H5AsClF/c1-2-3(4,5)6/h2H,1,4H2InChIKey=PCMQVCHGSNGCRR-UHFFFAOYSA-N86.3Ex 86.29(BP est) -37.66(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)C=C -37.7Pred
[AsH2]C(C(F)=C)Cl18562170.443C3H5AsClF(1-chloro-2-fluoroallyl)arsaneN116[As]([H])([H])C(C(F)=C)ClInChI=1S/C3H5AsClF/c1-2(6)3(4)5/h3H,1,4H2InChIKey=CYLUVSPXNACSAX-UHFFFAOYSA-N102.5Ex 102.47(BP est) -48.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)=C)Cl -48.6Pred
C[AsH]C(Cl)=CF18563170.443C3H5AsClF(1-chloro-2-fluorovinyl)(methyl)arsaneN116C[As]([H])C(Cl)=CFInChI=1S/C3H5AsClF/c1-4-3(5)2-6/h2,4H,1H3InChIKey=FFBYNBFCLNVJPL-UHFFFAOYSA-N108.7Ex 108.67(BP est) -49.17(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)=CF -49.2Pred
[AsH2]C(C=CF)Cl18564170.443C3H5AsClF(1-chloro-3-fluoroallyl)arsaneN116[As]([H])([H])C(C=CF)ClInChI=1S/C3H5AsClF/c4-3(5)1-2-6/h1-3H,4H2InChIKey=WQVFULFGPBRCHQ-UHFFFAOYSA-N118.0Ex 117.97(BP est) -38.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CF)Cl -38.8Pred
FC[AsH]C(Cl)=C18565170.443C3H5AsClF(1-chlorovinyl)(fluoromethyl)arsaneN116FC[As]([H])C(Cl)=CInChI=1S/C3H5AsClF/c1-3(5)4-2-6/h4H,1-2H2InChIKey=OSAPBTARURVMIY-UHFFFAOYSA-N99.5Ex 99.53(BP est) -50.17(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(Cl)=C -50.2Pred
[AsH2]C(C(Cl)=C)F18566170.443C3H5AsClF(2-chloro-1-fluoroallyl)arsaneN116[As]([H])([H])C(C(Cl)=C)FInChI=1S/C3H5AsClF/c1-2(5)3(4)6/h3H,1,4H2InChIKey=QQNSMHIXXZPXDX-UHFFFAOYSA-N87.1Ex 87.14(BP est) -53.10(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)=C)F -53.1Pred
C[AsH]C(F)=CCl18567170.443C3H5AsClF(2-chloro-1-fluorovinyl)(methyl)arsaneN116C[As]([H])C(F)=CClInChI=1S/C3H5AsClF/c1-4-3(6)2-5/h2,4H,1H3InChIKey=IZFRJUCZOLJXTI-UHFFFAOYSA-N108.7Ex 108.67(BP est) -49.17(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)=CCl -49.2Pred
C[AsH]C=C(F)Cl18568170.443C3H5AsClF(2-chloro-2-fluorovinyl)(methyl)arsaneN116C[As]([H])C=C(F)ClInChI=1S/C3H5AsClF/c1-4-2-3(5)6/h2,4H,1H3InChIKey=UWTZJWLWGJIWIJ-UHFFFAOYSA-N108.7Ex 108.67(BP est) -49.17(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(F)Cl -49.2Pred
[AsH2]CC(Cl)=CF18569170.443C3H5AsClF(2-chloro-3-fluoroallyl)arsaneN116[As]([H])([H])CC(Cl)=CFInChI=1S/C3H5AsClF/c4-1-3(5)2-6/h2H,1,4H2InChIKey=DWZKZKQIOHRJEN-UHFFFAOYSA-N110.9Ex 110.85(BP est) -40.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)=CF -40.3Pred
FC[AsH]C=CCl18570170.443C3H5AsClF(2-chlorovinyl)(fluoromethyl)arsaneN116FC[As]([H])C=CClInChI=1S/C3H5AsClF/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=UGMKDQGISHEBEY-UHFFFAOYSA-N115.1Ex 115.10(BP est) -40.31(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C=CCl -40.3Pred
[AsH2]C(C=CCl)F18571170.443C3H5AsClF(3-chloro-1-fluoroallyl)arsaneN116[As]([H])([H])C(C=CCl)FInChI=1S/C3H5AsClF/c4-3(6)1-2-5/h1-3H,4H2InChIKey=SIOOCTYATRZQJO-UHFFFAOYSA-N103.0Ex 103.02(BP est) -43.15(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CCl)F -43.2Pred
[AsH2]CC(F)=CCl18572170.443C3H5AsClF(3-chloro-2-fluoroallyl)arsaneN116[As]([H])([H])CC(F)=CClInChI=1S/C3H5AsClF/c4-1-3(6)2-5/h2H,1,4H2InChIKey=OJWNTEDDFRUFMD-UHFFFAOYSA-N110.9Ex 110.85(BP est) -40.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)=CCl -40.3Pred
[AsH2]CC=C(F)Cl18573170.443C3H5AsClF(3-chloro-3-fluoroallyl)arsaneN116[As]([H])([H])CC=C(F)ClInChI=1S/C3H5AsClF/c4-2-1-3(5)6/h1H,2,4H2InChIKey=QOTWAEDVHQKCDV-UHFFFAOYSA-N110.9Ex 110.85(BP est) -40.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(F)Cl -40.3Pred
ClC(F)[AsH]C=C18574170.443C3H5AsClF(chlorofluoromethyl)(vinyl)arsaneN116ClC(F)[As]([H])C=CInChI=1S/C3H5AsClF/c1-2-4-3(5)6/h2-4H,1H2InChIKey=WUUYMEARTBWBKQ-UHFFFAOYSA-N106.8Ex 106.78(BP est) -48.58(MP est) ----(BP exp) ----(MP exp) ClC(F)[As]([H])C=C -48.6Pred
ClC[AsH]C(F)=C18575170.443C3H5AsClF(chloromethyl)(1-fluorovinyl)arsaneN116ClC[As]([H])C(F)=CInChI=1S/C3H5AsClF/c1-3(6)4-2-5/h4H,1-2H2InChIKey=XTEAFEOBYAFSFP-UHFFFAOYSA-N127.3Ex 127.25(BP est) -42.08(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(F)=C -42.1Pred
ClC[AsH]C=CF18576170.443C3H5AsClF(chloromethyl)(2-fluorovinyl)arsaneN116ClC[As]([H])C=CFInChI=1S/C3H5AsClF/c5-3-4-1-2-6/h1-2,4H,3H2InChIKey=PLSFZHGJFFCJJR-UHFFFAOYSA-N142.1Ex 142.12(BP est) -32.42(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C=CF -32.4Pred
ClC(F)[As]1CC118577170.443C3H5AsClF1-(chlorofluoromethyl)arsiraneN116ClC(F)[As]1CC1InChI=1S/C3H5AsClF/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=LIRBYABXCNZMNF-UHFFFAOYSA-N115.1Ex 115.05(BP est) -40.62(MP est) ----(BP exp) ----(MP exp) ClC(F)[As]1CC1 -40.6Pred
ClC[As]1CC1F18578170.443C3H5AsClF1-(chloromethyl)-2-fluoroarsiraneN116ClC[As]1CC1FInChI=1S/C3H5AsClF/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=VCEDXHIFLKOIAU-UHFFFAOYSA-N134.9Ex 134.86(BP est) -29.45(MP est) ----(BP exp) ----(MP exp) ClC[As]1CC1F -29.5Pred
FC[As]1CC1Cl18579170.443C3H5AsClF2-chloro-1-(fluoromethyl)arsiraneN116FC[As]1CC1ClInChI=1S/C3H5AsClF/c5-3-1-4(3)2-6/h3H,1-2H2InChIKey=VRTKJLMDRVHLPA-UHFFFAOYSA-N122.4Ex 122.35(BP est) -33.11(MP est) ----(BP exp) ----(MP exp) FC[As]1CC1Cl -33.1Pred
C[As]1CC1(Cl)F18580170.443C3H5AsClF2-chloro-2-fluoro-1-methylarsiraneN116C[As]1CC1(Cl)FInChI=1S/C3H5AsClF/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=GWWGQXCNUPNEDD-UHFFFAOYSA-N97.0Ex 96.99(BP est) -28.56(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(Cl)F -28.6Pred
ClC1(F)[AsH]CC118581170.443C3H5AsClF2-chloro-2-fluoroarsetaneN116ClC1(F)[As]([H])CC1InChI=1S/C3H5AsClF/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=OPYPPMHLBMWRMP-UHFFFAOYSA-N101.4Ex 101.42(BP est) -20.84(MP est) ----(BP exp) ----(MP exp) ClC1(F)[As]([H])CC1 -20.8Pred
C[As]1C(Cl)C1F18582170.443C3H5AsClF2-chloro-3-fluoro-1-methylarsiraneN116C[As]1C(Cl)C1FInChI=1S/C3H5AsClF/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=SNTSPOZLYGBYFH-UHFFFAOYSA-N115.6Ex 115.59(BP est) -37.20(MP est) ----(BP exp) ----(MP exp) C[As]1C(Cl)C1F -37.2Pred
ClC1[AsH]CC1F18583170.443C3H5AsClF2-chloro-3-fluoroarsetaneN116ClC1[As]([H])CC1FInChI=1S/C3H5AsClF/c5-3-2(6)1-4-3/h2-4H,1H2InChIKey=QSOYXXJOTAMLBG-UHFFFAOYSA-N119.9Ex 119.89(BP est) -29.52(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])CC1F -29.5Pred
ClC1[AsH]C(F)C118584170.443C3H5AsClF2-chloro-4-fluoroarsetaneN116ClC1[As]([H])C(F)C1InChI=1S/C3H5AsClF/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=WXXMWRUBACCJNJ-UHFFFAOYSA-N119.9Ex 119.89(BP est) -29.52(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(F)C1 -29.5Pred
FC1[AsH]CC1Cl18585170.443C3H5AsClF3-chloro-2-fluoroarsetaneN116FC1[As]([H])CC1ClInChI=1S/C3H5AsClF/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=YVRCAIMEEQAUCS-UHFFFAOYSA-N119.9Ex 119.89(BP est) -29.52(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])CC1Cl -29.5Pred
ClC1(F)C[AsH]C118586170.443C3H5AsClF3-chloro-3-fluoroarsetaneN116ClC1(F)C[As]([H])C1InChI=1S/C3H5AsClF/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=QSSTYALZOPXOCC-UHFFFAOYSA-N101.4Ex 101.42(BP est) -20.84(MP est) ----(BP exp) ----(MP exp) ClC1(F)C[As]([H])C1 -20.8Pred
O=[As](C)(C)CCl18587170.468C3H8AsClO(chloromethyl)dimethylarsine oxideN146O=[As](C)(C)CClInChI=1S/C3H8AsClO/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=RWKWQSFPYYMCNW-UHFFFAOYSA-N158.4Ex 158.44(BP est) 21.41(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)CCl 21.4Pred
BrC[AsH2]18588170.869CH4AsBr(bromomethyl)arsaneN73BrC[As]([H])([H])InChI=1S/CH4AsBr/c2-1-3/h1-2H2InChIKey=CQJVYQUKEPJCES-UHFFFAOYSA-N101.6Ex 101.56(BP est) -30.16(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])([H]) -30.2Pred
O=[As](O)(CS)O18589172.03CH5AsO3S(mercaptomethyl)arsonic acidN116O=[As](O)(CS)OInChI=1S/CH5AsO3S/c3-2(4,5)1-6/h6H,1H2,(H2,3,4,5)InChIKey=LXMGNCBXQGQPOA-UHFFFAOYSA-N299.6Ex 299.57(BP est) 88.34(MP est) ----(BP exp) ----(MP exp) O=[As](O)(CS)O 88.3Pred
O[As](O)C(Cl)(F)C18590190.43C2H5AsClFO2(1-chloro-1-fluoroethyl)arsonous acidN127O[As](O)C(Cl)(F)CInChI=1S/C2H5AsClFO2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=LRJBCPRXRSRKCS-UHFFFAOYSA-N251.1Ex 251.05(BP est) 50.13(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(F)C 50.1Pred
O[As](O)C(CF)Cl18591190.43C2H5AsClFO2(1-chloro-2-fluoroethyl)arsonous acidN127O[As](O)C(CF)ClInChI=1S/C2H5AsClFO2/c4-2(1-5)3(6)7/h2,6-7H,1H2InChIKey=HYIUDSSSZXRFMT-UHFFFAOYSA-N267.1Ex 267.06(BP est) 46.10(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CF)Cl 46.1Pred
O[As](O)C(CCl)F18592190.43C2H5AsClFO2(2-chloro-1-fluoroethyl)arsonous acidN127O[As](O)C(CCl)FInChI=1S/C2H5AsClFO2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=NZCOTYOVRSWTBS-UHFFFAOYSA-N276.0Ex 275.98(BP est) 48.70(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CCl)F 48.7Pred
O[As](O)CC(F)Cl18593190.43C2H5AsClFO2(2-chloro-2-fluoroethyl)arsonous acidN127O[As](O)CC(F)ClInChI=1S/C2H5AsClFO2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=HBWDUWXTMXVXJD-UHFFFAOYSA-N267.1Ex 267.06(BP est) 46.10(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(F)Cl 46.1Pred
O=[As](C)(CCl)O18594172.44C2H6AsClO2(chloromethyl)(methyl)arsinic acidN126O=[As](C)(CCl)OInChI=1S/C2H6AsClO2/c1-3(5,6)2-4/h2H2,1H3,(H,5,6)InChIKey=MPCJAXZTYAFVNR-UHFFFAOYSA-N228.5Ex 228.54(BP est) 43.22(MP est) ----(BP exp) ----(MP exp) O=[As](C)(CCl)O 43.2Pred
C[AsH]C(Cl)(F)C18595172.459C3H7AsClF(1-chloro-1-fluoroethyl)(methyl)arsaneN136C[As]([H])C(Cl)(F)CInChI=1S/C3H7AsClF/c1-3(5,6)4-2/h4H,1-2H3InChIKey=MDBHPYHBZNPKPY-UHFFFAOYSA-N85.9Ex 85.86(BP est) -45.10(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(F)C -45.1Pred
[AsH2]C(Cl)(F)CC18596172.459C3H7AsClF(1-chloro-1-fluoropropyl)arsaneN136[As]([H])([H])C(Cl)(F)CCInChI=1S/C3H7AsClF/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=GLUZHEVNXZSGJK-UHFFFAOYSA-N88.1Ex 88.12(BP est) -36.25(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)CC -36.3Pred
C[AsH]C(CF)Cl18597172.459C3H7AsClF(1-chloro-2-fluoroethyl)(methyl)arsaneN136C[As]([H])C(CF)ClInChI=1S/C3H7AsClF/c1-4-3(5)2-6/h3-4H,2H2,1H3InChIKey=JEDHICQZQFSCSA-UHFFFAOYSA-N108.6Ex 108.55(BP est) -47.18(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CF)Cl -47.2Pred
[AsH2]C(C(C)F)Cl18598172.459C3H7AsClF(1-chloro-2-fluoropropyl)arsaneN136[As]([H])([H])C(C(C)F)ClInChI=1S/C3H7AsClF/c1-2(6)3(4)5/h2-3H,4H2,1H3InChIKey=OPQWUCIQGQQVDR-UHFFFAOYSA-N96.3Ex 96.34(BP est) -50.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)F)Cl -50.1Pred
[AsH2]C(CCF)Cl18599172.459C3H7AsClF(1-chloro-3-fluoropropyl)arsaneN136[As]([H])([H])C(CCF)ClInChI=1S/C3H7AsClF/c4-3(5)1-2-6/h3H,1-2,4H2InChIKey=FDTBMDXBTUDHKI-UHFFFAOYSA-N110.7Ex 110.74(BP est) -38.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCF)Cl -38.4Pred
FC[AsH]C(C)Cl18600172.459C3H7AsClF(1-chloroethyl)(fluoromethyl)arsaneN136FC[As]([H])C(C)ClInChI=1S/C3H7AsClF/c1-3(5)4-2-6/h3-4H,2H2,1H3InChIKey=ZZENIGHUPUFWDG-UHFFFAOYSA-N108.6Ex 108.55(BP est) -47.18(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(C)Cl -47.2Pred
C[AsH]C(CCl)F18601172.459C3H7AsClF(2-chloro-1-fluoroethyl)(methyl)arsaneN136C[As]([H])C(CCl)FInChI=1S/C3H7AsClF/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=UTWALZVFFUFBBN-UHFFFAOYSA-N121.4Ex 121.35(BP est) -43.44(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CCl)F -43.4Pred
[AsH2]C(C(C)Cl)F18602172.459C3H7AsClF(2-chloro-1-fluoropropyl)arsaneN136[As]([H])([H])C(C(C)Cl)FInChI=1S/C3H7AsClF/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=STQARDUUJJSAJZ-UHFFFAOYSA-N96.3Ex 96.34(BP est) -50.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)Cl)F -50.1Pred
C[AsH]CC(F)Cl18603172.459C3H7AsClF(2-chloro-2-fluoroethyl)(methyl)arsaneN136C[As]([H])CC(F)ClInChI=1S/C3H7AsClF/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=WGPVCOSXMVDEGM-UHFFFAOYSA-N108.6Ex 108.55(BP est) -47.18(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(F)Cl -47.2Pred
[AsH2]CC(Cl)(F)C18604172.459C3H7AsClF(2-chloro-2-fluoropropyl)arsaneN136[As]([H])([H])CC(Cl)(F)CInChI=1S/C3H7AsClF/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=KTGAAPBQKOCQLZ-UHFFFAOYSA-N88.1Ex 88.12(BP est) -36.25(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)(F)C -36.3Pred
[AsH2]CC(CF)Cl18605172.459C3H7AsClF(2-chloro-3-fluoropropyl)arsaneN136[As]([H])([H])CC(CF)ClInChI=1S/C3H7AsClF/c4-1-3(5)2-6/h3H,1-2,4H2InChIKey=MPTIMZZTPWRZJM-UHFFFAOYSA-N110.7Ex 110.74(BP est) -38.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CF)Cl -38.4Pred
FC[AsH]CCCl18606172.459C3H7AsClF(2-chloroethyl)(fluoromethyl)arsaneN136FC[As]([H])CCClInChI=1S/C3H7AsClF/c5-2-1-4-3-6/h4H,1-3H2InChIKey=ZDNXYNLFRICBRC-UHFFFAOYSA-N135.2Ex 135.18(BP est) -31.91(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CCCl -31.9Pred
[AsH2]C(CCCl)F18607172.459C3H7AsClF(3-chloro-1-fluoropropyl)arsaneN136[As]([H])([H])C(CCCl)FInChI=1S/C3H7AsClF/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=DLUQESPTISPPFJ-UHFFFAOYSA-N123.5Ex 123.50(BP est) -34.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCCl)F -34.6Pred
[AsH2]CC(CCl)F18608172.459C3H7AsClF(3-chloro-2-fluoropropyl)arsaneN136[As]([H])([H])CC(CCl)FInChI=1S/C3H7AsClF/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=KZKGXWDKAZSZOG-UHFFFAOYSA-N123.5Ex 123.50(BP est) -34.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CCl)F -34.6Pred
[AsH2]CCC(F)Cl18609172.459C3H7AsClF(3-chloro-3-fluoropropyl)arsaneN136[As]([H])([H])CCC(F)ClInChI=1S/C3H7AsClF/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=ZBIJQCMLDVVDNC-UHFFFAOYSA-N110.7Ex 110.74(BP est) -38.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(F)Cl -38.4Pred
ClC(F)[AsH]CC18610172.459C3H7AsClF(chlorofluoromethyl)(ethyl)arsaneN136ClC(F)[As]([H])CCInChI=1S/C3H7AsClF/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=WKFUDUKAVXXONO-UHFFFAOYSA-N108.6Ex 108.55(BP est) -47.18(MP est) ----(BP exp) ----(MP exp) ClC(F)[As]([H])CC -47.2Pred
C[As](C(F)Cl)C18611172.459C3H7AsClF(chlorofluoromethyl)dimethylarsaneN136C[As](C(F)Cl)CInChI=1S/C3H7AsClF/c1-4(2)3(5)6/h3H,1-2H3InChIKey=WNEADLMXKDNYLN-UHFFFAOYSA-N106.4Ex 106.35(BP est) -56.01(MP est) ----(BP exp) ----(MP exp) C[As](C(F)Cl)C -56Pred
ClC[AsH]C(C)F18612172.459C3H7AsClF(chloromethyl)(1-fluoroethyl)arsaneN136ClC[As]([H])C(C)FInChI=1S/C3H7AsClF/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=HJSAOGUMWGQNIQ-UHFFFAOYSA-N121.4Ex 121.35(BP est) -43.44(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(C)F -43.4Pred
ClC[AsH]CCF18613172.459C3H7AsClF(chloromethyl)(2-fluoroethyl)arsaneN136ClC[As]([H])CCFInChI=1S/C3H7AsClF/c5-3-4-1-2-6/h4H,1-3H2InChIKey=RJZXRCXQRDGEAR-UHFFFAOYSA-N135.2Ex 135.18(BP est) -31.91(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CCF -31.9Pred
C[As](CF)CCl18614172.459C3H7AsClF(chloromethyl)(fluoromethyl)(methyl)arsaneN136C[As](CF)CClInChI=1S/C3H7AsClF/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=FECIFGMCVBHKIX-UHFFFAOYSA-N133.1Ex 133.08(BP est) -40.70(MP est) ----(BP exp) ----(MP exp) C[As](CF)CCl -40.7Pred
[AsH2]C(Cl)=CCl18615172.868C2H3AsCl2(1,2-dichlorovinyl)arsaneN85[As]([H])([H])C(Cl)=CClInChI=1S/C2H3AsCl2/c3-2(5)1-4/h1H,3H2InChIKey=VOEANMKTWMFNLI-UHFFFAOYSA-N120.3Ex 120.27(BP est) -28.56(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=CCl -28.6Pred
[AsH2]C=C(Cl)Cl18616172.868C2H3AsCl2(2,2-dichlorovinyl)arsaneN85[As]([H])([H])C=C(Cl)ClInChI=1S/C2H3AsCl2/c3-1-2(4)5/h1H,3H2InChIKey=VQCRAICFMJLVLF-UHFFFAOYSA-N120.3Ex 120.27(BP est) -28.56(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(Cl)Cl -28.6Pred
ClC1(Cl)[AsH]C118617172.868C2H3AsCl22,2-dichloroarsiraneN85ClC1(Cl)[As]([H])C1InChI=1S/C2H3AsCl2/c4-2(5)1-3-2/h3H,1H2InChIKey=HMIITZJIRGGXML-UHFFFAOYSA-N110.9Ex 110.91(BP est) -7.28(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)[As]([H])C1 -7.3Pred
ClC1[AsH]C1Cl18618172.868C2H3AsCl22,3-dichloroarsiraneN85ClC1[As]([H])C1ClInChI=1S/C2H3AsCl2/c4-1-2(5)3-1/h1-3HInChIKey=YJGGGHMMANZQGT-UHFFFAOYSA-N141.4Ex 141.43(BP est) -12.44(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1Cl -12.4Pred
[AsH2]C(Cl)=C(F)F18619174.406C2H2AsClF2(1-chloro-2,2-difluorovinyl)arsaneN86[As]([H])([H])C(Cl)=C(F)FInChI=1S/C2H2AsClF2/c3-1(4)2(5)6/h3H2InChIKey=SMJLNNSXGAXNLU-UHFFFAOYSA-N82.5Ex 82.48(BP est) -60.95(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(F)F -61Pred
[AsH2]C(F)=C(F)Cl18620174.406C2H2AsClF2(2-chloro-1,2-difluorovinyl)arsaneN86[As]([H])([H])C(F)=C(F)ClInChI=1S/C2H2AsClF2/c3-1(5)2(4)6/h3H2InChIKey=SIBUOEKMQHRCIR-UHFFFAOYSA-N82.5Ex 82.48(BP est) -60.95(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(F)Cl -61Pred
FC1[AsH]C1(Cl)F18621174.406C2H2AsClF22-chloro-2,3-difluoroarsiraneN86FC1[As]([H])C1(Cl)FInChI=1S/C2H2AsClF2/c4-2(6)1(5)3-2/h1,3HInChIKey=XSQCTXVTQHOADO-UHFFFAOYSA-N69.9Ex 69.91(BP est) -35.74(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(Cl)F -35.7Pred
ClC1[AsH]C1(F)F18622174.406C2H2AsClF23-chloro-2,2-difluoroarsiraneN86ClC1[As]([H])C1(F)FInChI=1S/C2H2AsClF2/c4-1-2(5,6)3-1/h1,3HInChIKey=POYBIGSJLQYULB-UHFFFAOYSA-N83.5Ex 83.45(BP est) -31.79(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(F)F -31.8Pred
O=[As](CCl)(O)O18623174.412CH4AsClO3(chloromethyl)arsonic acidN106O=[As](CCl)(O)OInChI=1S/CH4AsClO3/c3-1-2(4,5)6/h1H2,(H2,4,5,6)InChIKey=JCLNLBWNYSVJAP-UHFFFAOYSA-N287.7Ex 287.70(BP est) 81.51(MP est) ----(BP exp) ----(MP exp) O=[As](CCl)(O)O 81.5Pred
O[As](O)C(Cl)Cl18624192.855CH3AsCl2O2(dichloromethyl)arsonous acidN96O[As](O)C(Cl)ClInChI=1S/CH3AsCl2O2/c3-1(4)2(5)6/h1,5-6HInChIKey=JMAPSDASTFMOJT-UHFFFAOYSA-N283.7Ex 283.74(BP est) 60.00(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)Cl 60Pred
ClC([AsH2])(Cl)C18625174.884C2H5AsCl2(1,1-dichloroethyl)arsaneN105ClC([As]([H])([H]))(Cl)CInChI=1S/C2H5AsCl2/c1-2(3,4)5/h3H2,1H3InChIKey=KHJODFZJHDSDSZ-UHFFFAOYSA-N100.0Ex 100.02(BP est) -23.75(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(Cl)C -23.8Pred
ClC(CCl)[AsH2]18626174.884C2H5AsCl2(1,2-dichloroethyl)arsaneN105ClC(CCl)[As]([H])([H])InChI=1S/C2H5AsCl2/c3-2(5)1-4/h2H,1,3H2InChIKey=LFZVYNCJQGQFBM-UHFFFAOYSA-N146.9Ex 146.94(BP est) -18.76(MP est) ----(BP exp) ----(MP exp) ClC(CCl)[As]([H])([H]) -18.8Pred
ClC(C[AsH2])Cl18627174.884C2H5AsCl2(2,2-dichloroethyl)arsaneN105ClC(C[As]([H])([H]))ClInChI=1S/C2H5AsCl2/c3-1-2(4)5/h2H,1,3H2InChIKey=SOQKITGYUDUSNO-UHFFFAOYSA-N134.7Ex 134.69(BP est) -22.33(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))Cl -22.3Pred
C[AsH]C(Cl)Cl18628174.884C2H5AsCl2(dichloromethyl)(methyl)arsaneN105C[As]([H])C(Cl)ClInChI=1S/C2H5AsCl2/c1-3-2(4)5/h2-3H,1H3InChIKey=JWSOGETYDDJXKV-UHFFFAOYSA-N132.6Ex 132.59(BP est) -31.13(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)Cl -31.1Pred
ClC[AsH]CCl18629174.884C2H5AsCl2bis(chloromethyl)arsaneN105ClC[As]([H])CClInChI=1S/C2H5AsCl2/c4-1-3-2-5/h3H,1-2H2InChIKey=SHCWFXWZYFIJBW-UHFFFAOYSA-N169.9Ex 169.87(BP est) -12.75(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CCl -12.8Pred
O[As](O)C(Cl)(F)F18630194.393CH2AsClF2O2(chlorodifluoromethyl)arsonous acidN97O[As](O)C(Cl)(F)FInChI=1S/CH2AsClF2O2/c3-1(4,5)2(6)7/h6-7HInChIKey=LTYRXQAHXLITAF-UHFFFAOYSA-N235.0Ex 234.95(BP est) 40.09(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(F)F 40.1Pred
[AsH2]C(Cl)(F)CF18631176.422C2H4AsClF2(1-chloro-1,2-difluoroethyl)arsaneN106[As]([H])([H])C(Cl)(F)CFInChI=1S/C2H4AsClF2/c3-2(4,6)1-5/h1,3H2InChIKey=AUFQIAMJDINJNM-UHFFFAOYSA-N65.7Ex 65.68(BP est) -48.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)CF -48.1Pred
[AsH2]C(C(F)F)Cl18632176.422C2H4AsClF2(1-chloro-2,2-difluoroethyl)arsaneN106[As]([H])([H])C(C(F)F)ClInChI=1S/C2H4AsClF2/c3-1(4)2(5)6/h1-2H,3H2InChIKey=IFCDTZPTUNELAR-UHFFFAOYSA-N74.2Ex 74.17(BP est) -61.87(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)F)Cl -61.9Pred
[AsH2]C(F)(F)CCl18633176.422C2H4AsClF2(2-chloro-1,1-difluoroethyl)arsaneN106[As]([H])([H])C(F)(F)CClInChI=1S/C2H4AsClF2/c3-2(5,6)1-4/h1,3H2InChIKey=IQFCJSFYFXPISG-UHFFFAOYSA-N92.7Ex 92.70(BP est) -40.25(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)CCl -40.3Pred
[AsH2]C(C(F)Cl)F18634176.422C2H4AsClF2(2-chloro-1,2-difluoroethyl)arsaneN106[As]([H])([H])C(C(F)Cl)FInChI=1S/C2H4AsClF2/c3-1(5)2(4)6/h1-2H,3H2InChIKey=VJDIZHIOUJETGK-UHFFFAOYSA-N74.2Ex 74.17(BP est) -61.87(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Cl)F -61.9Pred
[AsH2]CC(Cl)(F)F18635176.422C2H4AsClF2(2-chloro-2,2-difluoroethyl)arsaneN106[As]([H])([H])CC(Cl)(F)FInChI=1S/C2H4AsClF2/c3-1-2(4,5)6/h1,3H2InChIKey=FNSCGKBHRNLSJQ-UHFFFAOYSA-N65.7Ex 65.68(BP est) -48.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)(F)F -48.1Pred
C[AsH]C(Cl)(F)F18636176.422C2H4AsClF2(chlorodifluoromethyl)(methyl)arsaneN106C[As]([H])C(Cl)(F)FInChI=1S/C2H4AsClF2/c1-3-2(4,5)6/h3H,1H3InChIKey=DVLVJJWKYYXUGK-UHFFFAOYSA-N63.3Ex 63.34(BP est) -57.01(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(F)F -57Pred
FC[AsH]C(F)Cl18637176.422C2H4AsClF2(chlorofluoromethyl)(fluoromethyl)arsaneN106FC[As]([H])C(F)ClInChI=1S/C2H4AsClF2/c4-2(6)3-1-5/h2-3H,1H2InChIKey=BMRQRQCPZYLINC-UHFFFAOYSA-N86.8Ex 86.80(BP est) -58.87(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(F)Cl -58.9Pred
ClC[AsH]C(F)F18638176.422C2H4AsClF2(chloromethyl)(difluoromethyl)arsaneN106ClC[As]([H])C(F)FInChI=1S/C2H4AsClF2/c4-1-3-2(5)6/h2-3H,1H2InChIKey=XRPIUPAOYIVJRD-UHFFFAOYSA-N100.1Ex 100.05(BP est) -55.00(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(F)F -55Pred
[AsH2]C(Cl)(Cl)F18639178.847CH2AsCl2F(dichlorofluoromethyl)arsaneN75[As]([H])([H])C(Cl)(Cl)FInChI=1S/CH2AsCl2F/c2-1(3,4)5/h2H2InChIKey=FRKYQUUZAHOGMI-UHFFFAOYSA-N78.0Ex 77.97(BP est) -35.52(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(Cl)F -35.5Pred
[AsH2]C(Br)=C18640182.88C2H4AsBr(1-bromovinyl)arsaneN84[As]([H])([H])C(Br)=CInChI=1S/C2H4AsBr/c1-2(3)4/h1,3H2InChIKey=QETCASXHHOJFPX-UHFFFAOYSA-N117.0Ex 117.01(BP est) -27.88(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C -27.9Pred
[AsH2]C=CBr18641182.88C2H4AsBr(2-bromovinyl)arsaneN84[As]([H])([H])C=CBrInChI=1S/C2H4AsBr/c3-1-2-4/h1-2H,3H2InChIKey=KLNMGYDNDXCIQD-UHFFFAOYSA-N132.1Ex 132.14(BP est) -18.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=CBr -18.1Pred
BrC1[AsH]C118642182.88C2H4AsBr2-bromoarsiraneN84BrC1[As]([H])C1InChI=1S/C2H4AsBr/c4-2-1-3-2/h2-3H,1H2InChIKey=SIFYKBKQYLCGRA-UHFFFAOYSA-N124.8Ex 124.75(BP est) -15.21(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1 -15.2Pred
CS[As](C)SC18643184.147C3H9AsS2dimethyl methylarsonodithioiteN156CS[As](C)SCInChI=1S/C3H9AsS2/c1-4(5-2)6-3/h1-3H3InChIKey=YVMUDIQZROZFEW-UHFFFAOYSA-N196.4Ex 196.38(BP est) -3.08(MP est) ----(BP exp) ----(MP exp) CS[As](C)SC -3.1Pred
C[As](C)(SC)=S18644184.147C3H9AsS2methyl dimethylarsinodithioateN156C[As](C)(SC)=SInChI=1S/C3H9AsS2/c1-4(2,5)6-3/h1-3H3InChIKey=WQGRZXUAYOSICV-UHFFFAOYSA-N135.1Ex 135.12(BP est) -38.16(MP est) ----(BP exp) ----(MP exp) C[As](C)(SC)=S -38.2Pred
O[As](O)CBr18645202.867CH4AsBrO2(bromomethyl)arsonous acidN95O[As](O)CBrInChI=1S/CH4AsBrO2/c3-1-2(4)5/h4-5H,1H2InChIKey=OHPFVEWWFIJLDF-UHFFFAOYSA-N277.1Ex 277.08(BP est) 65.53(MP est) ----(BP exp) ----(MP exp) O[As](O)CBr 65.5Pred
ClC([AsH2])(Cl)C#C18646184.879C3H3AsCl2(1,1-dichloroprop-2-yn-1-yl)arsaneN96ClC([As]([H])([H]))(Cl)C#CInChI=1S/C3H3AsCl2/c1-2-3(4,5)6/h1H,4H2InChIKey=DVTGUDLGFUOBGN-UHFFFAOYSA-N131.7Ex 131.65(BP est) 14.61(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(Cl)C#C 14.6Pred
ClC(C#CCl)[AsH2]18647184.879C3H3AsCl2(1,3-dichloroprop-2-yn-1-yl)arsaneN96ClC(C#CCl)[As]([H])([H])InChI=1S/C3H3AsCl2/c4-3(6)1-2-5/h3H,4H2InChIKey=RFFRHJHUSOTJTK-UHFFFAOYSA-N158.9Ex 158.91(BP est) 11.27(MP est) ----(BP exp) ----(MP exp) ClC(C#CCl)[As]([H])([H]) 11.3Pred
ClC[AsH]C#CCl18648184.879C3H3AsCl2(chloroethynyl)(chloromethyl)arsaneN96ClC[As]([H])C#CClInChI=1S/C3H3AsCl2/c5-2-1-4-3-6/h4H,3H2InChIKey=COFPEXQUJQTLMU-UHFFFAOYSA-N181.3Ex 181.32(BP est) 20.74(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C#CCl 20.7Pred
ClC(Cl)[AsH]C#C18649184.879C3H3AsCl2(dichloromethyl)(ethynyl)arsaneN96ClC(Cl)[As]([H])C#CInChI=1S/C3H3AsCl2/c1-2-4-3(5)6/h1,3-4HInChIKey=FGOSIUDQWKBHJS-UHFFFAOYSA-N162.5Ex 162.52(BP est) 6.73(MP est) ----(BP exp) ----(MP exp) ClC(Cl)[As]([H])C#C 6.7Pred
ClC1(Cl)[AsH]C=C118650184.879C3H3AsCl22,2-dichloro-1,2-dihydroarseteN96ClC1(Cl)[As]([H])C=C1InChI=1S/C3H3AsCl2/c5-3(6)1-2-4-3/h1-2,4HInChIKey=ZFFFXRFMAZTYIQ-UHFFFAOYSA-N139.1Ex 139.11(BP est) 5.21(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)[As]([H])C=C1 5.2Pred
ClC1[AsH]C=C1Cl18651184.879C3H3AsCl22,3-dichloro-1,2-dihydroarseteN96ClC1[As]([H])C=C1ClInChI=1S/C3H3AsCl2/c5-2-1-4-3(2)6/h1,3-4HInChIKey=LUDYUKVOYPMZLE-UHFFFAOYSA-N158.9Ex 158.94(BP est) 5.31(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C=C1Cl 5.3Pred
ClC1[AsH]C(Cl)=C118652184.879C3H3AsCl22,4-dichloro-1,2-dihydroarseteN96ClC1[As]([H])C(Cl)=C1InChI=1S/C3H3AsCl2/c5-2-1-3(6)4-2/h1-2,4HInChIKey=PSQOSZJFRWSVDN-UHFFFAOYSA-N158.9Ex 158.94(BP est) 5.31(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(Cl)=C1 5.3Pred
ClC1=C(Cl)C[AsH]118653184.879C3H3AsCl23,4-dichloro-1,2-dihydroarseteN96ClC1=C(Cl)C[As]([H])1InChI=1S/C3H3AsCl2/c5-2-1-4-3(2)6/h4H,1H2InChIKey=HJLNAEYUOJRRMG-UHFFFAOYSA-N149.6Ex 149.55(BP est) 10.95(MP est) ----(BP exp) ----(MP exp) ClC1=C(Cl)C[As]([H])1 11Pred
BrC(C)[AsH2]18654184.896C2H6AsBr(1-bromoethyl)arsaneN104BrC(C)[As]([H])([H])InChI=1S/C2H6AsBr/c1-2(3)4/h2H,3H2,1H3InChIKey=CWCHOIGCRMMMSB-UHFFFAOYSA-N111.0Ex 111.01(BP est) -29.27(MP est) ----(BP exp) ----(MP exp) BrC(C)[As]([H])([H]) -29.3Pred
BrCC[AsH2]18655184.896C2H6AsBr(2-bromoethyl)arsaneN104BrCC[As]([H])([H])InChI=1S/C2H6AsBr/c3-1-2-4/h1-3H2InChIKey=CHWIFBVUAXHESM-UHFFFAOYSA-N125.1Ex 125.08(BP est) -17.66(MP est) ----(BP exp) ----(MP exp) BrCC[As]([H])([H]) -17.7Pred
C[AsH]CBr18656184.896C2H6AsBr(bromomethyl)(methyl)arsaneN104C[As]([H])CBrInChI=1S/C2H6AsBr/c1-3-2-4/h3H,2H2,1H3InChIKey=DRVOCVROSGTZSZ-UHFFFAOYSA-N122.9Ex 122.94(BP est) -26.47(MP est) ----(BP exp) ----(MP exp) C[As]([H])CBr -26.5Pred
O[As](O)C(Cl)=CCl18657204.866C2H3AsCl2O2(1,2-dichlorovinyl)arsonous acidN107O[As](O)C(Cl)=CClInChI=1S/C2H3AsCl2O2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=UURFKOXXOVPDNP-UHFFFAOYSA-N289.5Ex 289.50(BP est) 65.29(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)=CCl 65.3Pred
O[As](O)C=C(Cl)Cl18658204.866C2H3AsCl2O2(2,2-dichlorovinyl)arsonous acidN107O[As](O)C=C(Cl)ClInChI=1S/C2H3AsCl2O2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=JTWDHOSEIQWLIZ-UHFFFAOYSA-N289.5Ex 289.50(BP est) 65.29(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(Cl)Cl 65.3Pred
ClC([AsH2])(Cl)C=C18659186.895C3H5AsCl2(1,1-dichloroallyl)arsaneN116ClC([As]([H])([H]))(Cl)C=CInChI=1S/C3H5AsCl2/c1-2-3(4,5)6/h2H,1,4H2InChIKey=DQIOOVNYLKLCKB-UHFFFAOYSA-N121.9Ex 121.86(BP est) -12.61(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(Cl)C=C -12.6Pred
ClC(C(Cl)=C)[AsH2]18660186.895C3H5AsCl2(1,2-dichloroallyl)arsaneN116ClC(C(Cl)=C)[As]([H])([H])InChI=1S/C3H5AsCl2/c1-2(5)3(4)6/h3H,1,4H2InChIKey=NYZRKXGIVPZREU-UHFFFAOYSA-N135.1Ex 135.13(BP est) -24.43(MP est) ----(BP exp) ----(MP exp) ClC(C(Cl)=C)[As]([H])([H]) -24.4Pred
ClC1([AsH2])C(Cl)C118661186.895C3H5AsCl2(1,2-dichlorocyclopropyl)arsaneN116ClC1([As]([H])([H]))C(Cl)C1InChI=1S/C3H5AsCl2/c4-3(6)1-2(3)5/h2H,1,4H2InChIKey=BZXGGSJGOGJHPV-UHFFFAOYSA-N143.9Ex 143.94(BP est) 12.30(MP est) ----(BP exp) ----(MP exp) ClC1([As]([H])([H]))C(Cl)C1 12.3Pred
C[AsH]C(Cl)=CCl18662186.895C3H5AsCl2(1,2-dichlorovinyl)(methyl)arsaneN116C[As]([H])C(Cl)=CClInChI=1S/C3H5AsCl2/c1-4-3(6)2-5/h2,4H,1H3InChIKey=KIZQCPSARKVWFI-UHFFFAOYSA-N141.0Ex 141.00(BP est) -25.06(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)=CCl -25.1Pred
ClC(C=CCl)[AsH2]18663186.895C3H5AsCl2(1,3-dichloroallyl)arsaneN116ClC(C=CCl)[As]([H])([H])InChI=1S/C3H5AsCl2/c4-3(6)1-2-5/h1-3H,4H2InChIKey=ALCHERWOADCHAA-UHFFFAOYSA-N149.8Ex 149.80(BP est) -14.83(MP est) ----(BP exp) ----(MP exp) ClC(C=CCl)[As]([H])([H]) -14.8Pred
ClC1(Cl)CC1[AsH2]18664186.895C3H5AsCl2(2,2-dichlorocyclopropyl)arsaneN116ClC1(Cl)CC1[As]([H])([H])InChI=1S/C3H5AsCl2/c4-2-1-3(2,5)6/h2H,1,4H2InChIKey=DXQAJNPAQSKOHM-UHFFFAOYSA-N131.7Ex 131.67(BP est) 8.72(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)CC1[As]([H])([H]) 8.7Pred
C[AsH]C=C(Cl)Cl18665186.895C3H5AsCl2(2,2-dichlorovinyl)(methyl)arsaneN116C[As]([H])C=C(Cl)ClInChI=1S/C3H5AsCl2/c1-4-2-3(5)6/h2,4H,1H3InChIKey=SDQTUPDUYLMMDP-UHFFFAOYSA-N141.0Ex 141.00(BP est) -25.06(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(Cl)Cl -25.1Pred
ClC(C[AsH2])=CCl18666186.895C3H5AsCl2(2,3-dichloroallyl)arsaneN116ClC(C[As]([H])([H]))=CClInChI=1S/C3H5AsCl2/c4-1-3(6)2-5/h2H,1,4H2InChIKey=AAQAQLSNTQTJIN-UHFFFAOYSA-N143.1Ex 143.07(BP est) -16.27(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))=CCl -16.3Pred
ClC(Cl)=CC[AsH2]18667186.895C3H5AsCl2(3,3-dichloroallyl)arsaneN116ClC(Cl)=CC[As]([H])([H])InChI=1S/C3H5AsCl2/c4-2-1-3(5)6/h1H,2,4H2InChIKey=ZCSGVUFPMMSUJO-UHFFFAOYSA-N143.1Ex 143.07(BP est) -16.27(MP est) ----(BP exp) ----(MP exp) ClC(Cl)=CC[As]([H])([H]) -16.3Pred
ClC[AsH]C(Cl)=C18668186.895C3H5AsCl2(chloromethyl)(1-chlorovinyl)arsaneN116ClC[As]([H])C(Cl)=CInChI=1S/C3H5AsCl2/c1-3(6)4-2-5/h4H,1-2H2InChIKey=RMOOWTURSBXWDD-UHFFFAOYSA-N158.6Ex 158.57(BP est) -18.27(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(Cl)=C -18.3Pred
ClC[AsH]C=CCl18669186.895C3H5AsCl2(chloromethyl)(2-chlorovinyl)arsaneN116ClC[As]([H])C=CClInChI=1S/C3H5AsCl2/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=ZOXBUDUHOOOPPT-UHFFFAOYSA-N172.6Ex 172.61(BP est) -8.85(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C=CCl -8.9Pred
ClC(Cl)[AsH]C=C18670186.895C3H5AsCl2(dichloromethyl)(vinyl)arsaneN116ClC(Cl)[As]([H])C=CInChI=1S/C3H5AsCl2/c1-2-4-3(5)6/h2-4H,1H2InChIKey=RLUOWTBWUHNDBJ-UHFFFAOYSA-N153.3Ex 153.27(BP est) -20.34(MP est) ----(BP exp) ----(MP exp) ClC(Cl)[As]([H])C=C -20.3Pred
ClC(Cl)[As]1CC118671186.895C3H5AsCl21-(dichloromethyl)arsiraneN116ClC(Cl)[As]1CC1InChI=1S/C3H5AsCl2/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=DEMFHJLRQBXUQE-UHFFFAOYSA-N160.9Ex 160.90(BP est) -12.57(MP est) ----(BP exp) ----(MP exp) ClC(Cl)[As]1CC1 -12.6Pred
C[As]1CC1(Cl)Cl18672186.895C3H5AsCl22,2-dichloro-1-methylarsiraneN116C[As]1CC1(Cl)ClInChI=1S/C3H5AsCl2/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=NZGGOSVQHBKASW-UHFFFAOYSA-N132.0Ex 131.97(BP est) -3.68(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(Cl)Cl -3.7Pred
ClC1(Cl)[AsH]CC118673186.895C3H5AsCl22,2-dichloroarsetaneN116ClC1(Cl)[As]([H])CC1InChI=1S/C3H5AsCl2/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=RFZMVKPZNKQNTC-UHFFFAOYSA-N136.2Ex 136.15(BP est) 3.96(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)[As]([H])CC1 4Pred
C[As]1C(Cl)C1Cl18674186.895C3H5AsCl22,3-dichloro-1-methylarsiraneN116C[As]1C(Cl)C1ClInChI=1S/C3H5AsCl2/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=HVGBBTKYUHSFKZ-UHFFFAOYSA-N161.4Ex 161.40(BP est) -9.16(MP est) ----(BP exp) ----(MP exp) C[As]1C(Cl)C1Cl -9.2Pred
ClC1[AsH]CC1Cl18675186.895C3H5AsCl22,3-dichloroarsetaneN116ClC1[As]([H])CC1ClInChI=1S/C3H5AsCl2/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=KOUIJWPLBMUVTQ-UHFFFAOYSA-N165.4Ex 165.36(BP est) -1.58(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])CC1Cl -1.6Pred
ClC1[AsH]C(Cl)C118676186.895C3H5AsCl22,4-dichloroarsetaneN116ClC1[As]([H])C(Cl)C1InChI=1S/C3H5AsCl2/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=VNNVXZRBPYDMKQ-UHFFFAOYSA-N165.4Ex 165.36(BP est) -1.58(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(Cl)C1 -1.6Pred
ClC[As]1CC1Cl18677186.895C3H5AsCl22-chloro-1-(chloromethyl)arsiraneN116ClC[As]1CC1ClInChI=1S/C3H5AsCl2/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=DXUNFSZFLKESJF-UHFFFAOYSA-N179.1Ex 179.13(BP est) -1.86(MP est) ----(BP exp) ----(MP exp) ClC[As]1CC1Cl -1.9Pred
ClC1(Cl)C[AsH]C118678186.895C3H5AsCl23,3-dichloroarsetaneN116ClC1(Cl)C[As]([H])C1InChI=1S/C3H5AsCl2/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=OTQCVPJBCGYBIA-UHFFFAOYSA-N136.2Ex 136.15(BP est) 3.96(MP est) ----(BP exp) ----(MP exp) ClC1(Cl)C[As]([H])C1 4Pred
[AsH2]C(F)Br18679188.859CH3AsBrF(bromofluoromethyl)arsaneN74[As]([H])([H])C(F)BrInChI=1S/CH3AsBrF/c2-1(3)4/h1H,2H2InChIKey=GJLKJKXTTGHNQN-UHFFFAOYSA-N89.4Ex 89.35(BP est) -40.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)Br -40.9Pred
O[As](O)C(Cl)(Cl)C18680206.882C2H5AsCl2O2(1,1-dichloroethyl)arsonous acidN127O[As](O)C(Cl)(Cl)CInChI=1S/C2H5AsCl2O2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=FHAAACAPWARCOJ-UHFFFAOYSA-N276.0Ex 276.04(BP est) 63.90(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(Cl)C 63.9Pred
O[As](O)C(CCl)Cl18681206.882C2H5AsCl2O2(1,2-dichloroethyl)arsonous acidN127O[As](O)C(CCl)ClInChI=1S/C2H5AsCl2O2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=GDRUXXORHVYQMB-UHFFFAOYSA-N306.9Ex 306.86(BP est) 72.38(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CCl)Cl 72.4Pred
O[As](O)CC(Cl)Cl18682206.882C2H5AsCl2O2(2,2-dichloroethyl)arsonous acidN127O[As](O)CC(Cl)ClInChI=1S/C2H5AsCl2O2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=SKPZZJIIBNAKFZ-UHFFFAOYSA-N298.9Ex 298.94(BP est) 70.07(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(Cl)Cl 70.1Pred
C[AsH]C(C)(Cl)Cl18683188.911C3H7AsCl2(1,1-dichloroethyl)(methyl)arsaneN136C[As]([H])C(C)(Cl)ClInChI=1S/C3H7AsCl2/c1-3(5,6)4-2/h4H,1-2H3InChIKey=DNOQQYLTVWATQL-UHFFFAOYSA-N121.5Ex 121.45(BP est) -20.04(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)(Cl)Cl -20Pred
CC(C(Cl)Cl)[AsH2]18684188.911C3H7AsCl2(1,1-dichloropropan-2-yl)arsaneN136CC(C(Cl)Cl)[As]([H])([H])InChI=1S/C3H7AsCl2/c1-2(4)3(5)6/h2-3H,4H2,1H3InChIKey=MJJXMRQWXIRYOK-UHFFFAOYSA-N143.6Ex 143.63(BP est) -21.59(MP est) ----(BP exp) ----(MP exp) CC(C(Cl)Cl)[As]([H])([H]) -21.6Pred
ClC([AsH2])(Cl)CC18685188.911C3H7AsCl2(1,1-dichloropropyl)arsaneN136ClC([As]([H])([H]))(Cl)CCInChI=1S/C3H7AsCl2/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=QGBJFRHGOGNGSN-UHFFFAOYSA-N123.6Ex 123.59(BP est) -11.23(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(Cl)CC -11.2Pred
C[AsH]C(Cl)CCl18686188.911C3H7AsCl2(1,2-dichloroethyl)(methyl)arsaneN136C[As]([H])C(Cl)CClInChI=1S/C3H7AsCl2/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=IVRJXXAOHMFNSR-UHFFFAOYSA-N166.7Ex 166.70(BP est) -15.54(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)CCl -15.5Pred
ClC([AsH2])(C)CCl18687188.911C3H7AsCl2(1,2-dichloropropan-2-yl)arsaneN136ClC([As]([H])([H]))(C)CClInChI=1S/C3H7AsCl2/c1-3(4,6)2-5/h2,4H2,1H3InChIKey=ICKJXTQNYHARCG-UHFFFAOYSA-N148.3Ex 148.26(BP est) -4.03(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(C)CCl -4Pred
ClC(C(Cl)C)[AsH2]18688188.911C3H7AsCl2(1,2-dichloropropyl)arsaneN136ClC(C(Cl)C)[As]([H])([H])InChI=1S/C3H7AsCl2/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=XWKITPQXFTVCJT-UHFFFAOYSA-N143.6Ex 143.63(BP est) -21.59(MP est) ----(BP exp) ----(MP exp) ClC(C(Cl)C)[As]([H])([H]) -21.6Pred
ClC(CCCl)[AsH2]18689188.911C3H7AsCl2(1,3-dichloropropyl)arsaneN136ClC(CCCl)[As]([H])([H])InChI=1S/C3H7AsCl2/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=XPLKUTBUXVGWBQ-UHFFFAOYSA-N168.7Ex 168.68(BP est) -6.78(MP est) ----(BP exp) ----(MP exp) ClC(CCCl)[As]([H])([H]) -6.8Pred
ClC[AsH]C(Cl)C18690188.911C3H7AsCl2(1-chloroethyl)(chloromethyl)arsaneN136ClC[As]([H])C(Cl)CInChI=1S/C3H7AsCl2/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=GTZULUSWFGXHCL-UHFFFAOYSA-N166.7Ex 166.70(BP est) -15.54(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(Cl)C -15.5Pred
C[AsH]CC(Cl)Cl18691188.911C3H7AsCl2(2,2-dichloroethyl)(methyl)arsaneN136C[As]([H])CC(Cl)ClInChI=1S/C3H7AsCl2/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=SVSNRVZZBUMULH-UHFFFAOYSA-N154.9Ex 154.91(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(Cl)Cl -19Pred
ClC(C)(C[AsH2])Cl18692188.911C3H7AsCl2(2,2-dichloropropyl)arsaneN136ClC(C)(C[As]([H])([H]))ClInChI=1S/C3H7AsCl2/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=CDASNZUSMKTGET-UHFFFAOYSA-N123.6Ex 123.59(BP est) -11.23(MP est) ----(BP exp) ----(MP exp) ClC(C)(C[As]([H])([H]))Cl -11.2Pred
ClC(C[AsH2])CCl18693188.911C3H7AsCl2(2,3-dichloropropyl)arsaneN136ClC(C[As]([H])([H]))CClInChI=1S/C3H7AsCl2/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=BWIGXQQCQBGVJY-UHFFFAOYSA-N168.7Ex 168.68(BP est) -6.78(MP est) ----(BP exp) ----(MP exp) ClC(C[As]([H])([H]))CCl -6.8Pred
ClC[AsH]CCCl18694188.911C3H7AsCl2(2-chloroethyl)(chloromethyl)arsaneN136ClC[As]([H])CCClInChI=1S/C3H7AsCl2/c5-2-1-4-3-6/h4H,1-3H2InChIKey=IIQKVICARYVHBA-UHFFFAOYSA-N190.7Ex 190.65(BP est) -1.04(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CCCl -1Pred
ClC(CC[AsH2])Cl18695188.911C3H7AsCl2(3,3-dichloropropyl)arsaneN136ClC(CC[As]([H])([H]))ClInChI=1S/C3H7AsCl2/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=VNSNADMUTOUZBT-UHFFFAOYSA-N156.9Ex 156.92(BP est) -10.21(MP est) ----(BP exp) ----(MP exp) ClC(CC[As]([H])([H]))Cl -10.2Pred
ClC(Cl)[AsH]CC18696188.911C3H7AsCl2(dichloromethyl)(ethyl)arsaneN136ClC(Cl)[As]([H])CCInChI=1S/C3H7AsCl2/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=KJKZJDKMOHEMCV-UHFFFAOYSA-N154.9Ex 154.91(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) ClC(Cl)[As]([H])CC -19Pred
C[As](C)C(Cl)Cl18697188.911C3H7AsCl2(dichloromethyl)dimethylarsaneN136C[As](C)C(Cl)ClInChI=1S/C3H7AsCl2/c1-4(2)3(5)6/h3H,1-2H3InChIKey=MFHFWHLZIVPECM-UHFFFAOYSA-N152.9Ex 152.88(BP est) -27.76(MP est) ----(BP exp) ----(MP exp) C[As](C)C(Cl)Cl -27.8Pred
C[As](CCl)CCl18698188.911C3H7AsCl2bis(chloromethyl)(methyl)arsaneN136C[As](CCl)CClInChI=1S/C3H7AsCl2/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=HIOBDFWTHAAUCG-UHFFFAOYSA-N188.8Ex 188.77(BP est) -9.78(MP est) ----(BP exp) ----(MP exp) C[As](CCl)CCl -9.8Pred
[AsH2]C(Cl)=C(F)Cl18699190.858C2H2AsCl2F(1,2-dichloro-2-fluorovinyl)arsaneN86[As]([H])([H])C(Cl)=C(F)ClInChI=1S/C2H2AsCl2F/c3-1(4)2(5)6/h3H2InChIKey=WRAHHEHOWPEUDY-UHFFFAOYSA-N116.2Ex 116.18(BP est) -36.44(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(F)Cl -36.4Pred
[AsH2]C(F)=C(Cl)Cl18700190.858C2H2AsCl2F(2,2-dichloro-1-fluorovinyl)arsaneN86[As]([H])([H])C(F)=C(Cl)ClInChI=1S/C2H2AsCl2F/c3-1(6)2(4)5/h3H2InChIKey=QKLIRFSAJVRQFB-UHFFFAOYSA-N116.2Ex 116.18(BP est) -36.44(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(Cl)Cl -36.4Pred
FC1[AsH]C1(Cl)Cl18701190.858C2H2AsCl2F2,2-dichloro-3-fluoroarsiraneN86FC1[As]([H])C1(Cl)ClInChI=1S/C2H2AsCl2F/c4-2(5)1(6)3-2/h1,3HInChIKey=SIJOFWGZXUNKTR-UHFFFAOYSA-N106.4Ex 106.36(BP est) -10.43(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(Cl)Cl -10.4Pred
ClC1[AsH]C1(Cl)F18702190.858C2H2AsCl2F2,3-dichloro-2-fluoroarsiraneN86ClC1[As]([H])C1(Cl)FInChI=1S/C2H2AsCl2F/c4-1-2(5,6)3-1/h1,3HInChIKey=CRQKQEOCKOCLSO-UHFFFAOYSA-N119.2Ex 119.17(BP est) -6.69(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(Cl)F -6.7Pred
O[As](O)C(Cl)(Cl)F18703210.845CH2AsCl2FO2(dichlorofluoromethyl)arsonous acidN97O[As](O)C(Cl)(Cl)FInChI=1S/CH2AsCl2FO2/c3-1(4,5)2(6)7/h6-7HInChIKey=REQHOTMEWRMQSP-UHFFFAOYSA-N261.2Ex 261.16(BP est) 54.55(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(Cl)F 54.6Pred
[AsH2]C(Cl)(Cl)CF18704192.874C2H4AsCl2F(1,1-dichloro-2-fluoroethyl)arsaneN106[As]([H])([H])C(Cl)(Cl)CFInChI=1S/C2H4AsCl2F/c3-2(4,5)1-6/h1,3H2InChIKey=WUOBCAVOORMJAL-UHFFFAOYSA-N102.4Ex 102.36(BP est) -22.77(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(Cl)CF -22.8Pred
[AsH2]C(Cl)(F)CCl18705192.874C2H4AsCl2F(1,2-dichloro-1-fluoroethyl)arsaneN106[As]([H])([H])C(Cl)(F)CClInChI=1S/C2H4AsCl2F/c3-2(5,6)1-4/h1,3H2InChIKey=WAKIUOVLFYQABW-UHFFFAOYSA-N127.9Ex 127.92(BP est) -15.31(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)CCl -15.3Pred
[AsH2]C(C(F)Cl)Cl18706192.874C2H4AsCl2F(1,2-dichloro-2-fluoroethyl)arsaneN106[As]([H])([H])C(C(F)Cl)ClInChI=1S/C2H4AsCl2F/c3-1(4)2(5)6/h1-2H,3H2InChIKey=HTRIARLYQNJNOM-UHFFFAOYSA-N123.1Ex 123.12(BP est) -32.92(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Cl)Cl -32.9Pred
[AsH2]C(C(Cl)Cl)F18707192.874C2H4AsCl2F(2,2-dichloro-1-fluoroethyl)arsaneN106[As]([H])([H])C(C(Cl)Cl)FInChI=1S/C2H4AsCl2F/c3-1(6)2(4)5/h1-2H,3H2InChIKey=CZEUYRDEPFXHIL-UHFFFAOYSA-N123.1Ex 123.12(BP est) -32.92(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)Cl)F -32.9Pred
[AsH2]CC(Cl)(Cl)F18708192.874C2H4AsCl2F(2,2-dichloro-2-fluoroethyl)arsaneN106[As]([H])([H])CC(Cl)(Cl)FInChI=1S/C2H4AsCl2F/c3-1-2(4,5)6/h1,3H2InChIKey=GUWKPZQOJCKJEK-UHFFFAOYSA-N102.4Ex 102.36(BP est) -22.77(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)(Cl)F -22.8Pred
ClC[AsH]C(F)Cl18709192.874C2H4AsCl2F(chlorofluoromethyl)(chloromethyl)arsaneN106ClC[As]([H])C(F)ClInChI=1S/C2H4AsCl2F/c4-1-3-2(5)6/h2-3H,1H2InChIKey=RQPPLJWJUSELAK-UHFFFAOYSA-N147.1Ex 147.06(BP est) -26.61(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(F)Cl -26.6Pred
C[AsH]C(Cl)(Cl)F18710192.874C2H4AsCl2F(dichlorofluoromethyl)(methyl)arsaneN106C[As]([H])C(Cl)(Cl)FInChI=1S/C2H4AsCl2F/c1-3-2(4,5)6/h3H,1H3InChIKey=GNYUAFZBECYSBM-UHFFFAOYSA-N100.2Ex 100.15(BP est) -31.60(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(Cl)F -31.6Pred
FC[AsH]C(Cl)Cl18711192.874C2H4AsCl2F(dichloromethyl)(fluoromethyl)arsaneN106FC[As]([H])C(Cl)ClInChI=1S/C2H4AsCl2F/c4-2(5)3-1-6/h2-3H,1H2InChIKey=VCGZADLTPKXIBL-UHFFFAOYSA-N134.8Ex 134.81(BP est) -30.19(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(Cl)Cl -30.2Pred
BrC(C#C)[AsH2]18712194.891C3H4AsBr(1-bromoprop-2-yn-1-yl)arsaneN95BrC(C#C)[As]([H])([H])InChI=1S/C3H4AsBr/c1-2-3(4)5/h1,3H,4H2InChIKey=MWBAZQZOIBMKDP-UHFFFAOYSA-N142.1Ex 142.08(BP est) 8.92(MP est) ----(BP exp) ----(MP exp) BrC(C#C)[As]([H])([H]) 8.9Pred
[AsH2]CC#CBr18713194.891C3H4AsBr(3-bromoprop-2-yn-1-yl)arsaneN95[As]([H])([H])CC#CBrInChI=1S/C3H4AsBr/c4-2-1-3-5/h2,4H2InChIKey=UPKBBXSGVMUHRO-UHFFFAOYSA-N163.5Ex 163.50(BP est) 17.02(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC#CBr 17Pred
C[AsH]C#CBr18714194.891C3H4AsBr(bromoethynyl)(methyl)arsaneN95C[As]([H])C#CBrInChI=1S/C3H4AsBr/c1-4-2-3-5/h4H,1H3InChIKey=JMEODTOBHYDMJR-UHFFFAOYSA-N161.5Ex 161.51(BP est) 12.06(MP est) ----(BP exp) ----(MP exp) C[As]([H])C#CBr 12.1Pred
BrC[AsH]C#C18715194.891C3H4AsBr(bromomethyl)(ethynyl)arsaneN95BrC[As]([H])C#CInChI=1S/C3H4AsBr/c1-2-4-3-5/h1,4H,3H2InChIKey=ABPFGKWOOYSLLB-UHFFFAOYSA-N153.4Ex 153.39(BP est) 11.54(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C#C 11.5Pred
BrC1[AsH]C=C118716194.891C3H4AsBr2-bromo-1,2-dihydroarseteN95BrC1[As]([H])C=C1InChI=1S/C3H4AsBr/c5-3-1-2-4-3/h1-4HInChIKey=BSFAGVMDPPMICP-UHFFFAOYSA-N152.3Ex 152.30(BP est) -2.91(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C=C1 -2.9Pred
BrC1=C[AsH]C118717194.891C3H4AsBr3-bromo-1,2-dihydroarseteN95BrC1=C[As]([H])C1InChI=1S/C3H4AsBr/c5-3-1-4-2-3/h1,4H,2H2InChIKey=VIBQPJYPJURRCC-UHFFFAOYSA-N156.8Ex 156.76(BP est) 6.77(MP est) ----(BP exp) ----(MP exp) BrC1=C[As]([H])C1 6.8Pred
BrC1=CC[AsH]118718194.891C3H4AsBr4-bromo-1,2-dihydroarseteN95BrC1=CC[As]([H])1InChI=1S/C3H4AsBr/c5-3-1-2-4-3/h1,4H,2H2InChIKey=UEZSBOHGXIXILH-UHFFFAOYSA-N156.8Ex 156.76(BP est) 6.77(MP est) ----(BP exp) ----(MP exp) BrC1=CC[As]([H])1 6.8Pred
ClC([AsH2])(Cl)Cl18719195.299CH2AsCl3(trichloromethyl)arsaneN75ClC([As]([H])([H]))(Cl)ClInChI=1S/CH2AsCl3/c2-1(3,4)5/h2H2InChIKey=MUBKUKYXIRVJQS-UHFFFAOYSA-N114.0Ex 114.00(BP est) -10.34(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(Cl)Cl -10.3Pred
O[As](O)C(Br)=C18720214.878C2H4AsBrO2(1-bromovinyl)arsonous acidN106O[As](O)C(Br)=CInChI=1S/C2H4AsBrO2/c1-2(4)3(5)6/h5-6H,1H2InChIKey=PMTHMZANSBVZLL-UHFFFAOYSA-N287.4Ex 287.35(BP est) 66.30(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)=C 66.3Pred
O[As](O)C=CBr18721214.878C2H4AsBrO2(2-bromovinyl)arsonous acidN106O[As](O)C=CBrInChI=1S/C2H4AsBrO2/c4-2-1-3(5)6/h1-2,5-6HInChIKey=KYMGJMKZMOIISU-UHFFFAOYSA-N297.3Ex 297.28(BP est) 74.52(MP est) ----(BP exp) ----(MP exp) O[As](O)C=CBr 74.5Pred
BrC(C=C)[AsH2]18722196.907C3H6AsBr(1-bromoallyl)arsaneN115BrC(C=C)[As]([H])([H])InChI=1S/C3H6AsBr/c1-2-3(4)5/h2-3H,1,4H2InChIKey=XLMZVDIMMYHASF-UHFFFAOYSA-N132.5Ex 132.47(BP est) -18.25(MP est) ----(BP exp) ----(MP exp) BrC(C=C)[As]([H])([H]) -18.3Pred
BrC1([AsH2])CC118723196.907C3H6AsBr(1-bromocyclopropyl)arsaneN115BrC1([As]([H])([H]))CC1InChI=1S/C3H6AsBr/c4-3(5)1-2-3/h1-2,4H2InChIKey=YYWXWXFNCCAICT-UHFFFAOYSA-N139.7Ex 139.71(BP est) 13.17(MP est) ----(BP exp) ----(MP exp) BrC1([As]([H])([H]))CC1 13.2Pred
C[AsH]C(Br)=C18724196.907C3H6AsBr(1-bromovinyl)(methyl)arsaneN115C[As]([H])C(Br)=CInChI=1S/C3H6AsBr/c1-3(5)4-2/h4H,1H2,2H3InChIKey=ARUKQTUUTAFEQR-UHFFFAOYSA-N137.9Ex 137.85(BP est) -24.34(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)=C -24.3Pred
BrC(C[AsH2])=C18725196.907C3H6AsBr(2-bromoallyl)arsaneN115BrC(C[As]([H])([H]))=CInChI=1S/C3H6AsBr/c1-3(5)2-4/h1-2,4H2InChIKey=QNFWAPIJKMSWEN-UHFFFAOYSA-N139.9Ex 139.93(BP est) -15.55(MP est) ----(BP exp) ----(MP exp) BrC(C[As]([H])([H]))=C -15.6Pred
BrC1CC1[AsH2]18726196.907C3H6AsBr(2-bromocyclopropyl)arsaneN115BrC1CC1[As]([H])([H])InChI=1S/C3H6AsBr/c4-2-1-3(2)5/h2-3H,1,4H2InChIKey=JQTTXHUBDRUWCH-UHFFFAOYSA-N145.0Ex 145.03(BP est) 0.65(MP est) ----(BP exp) ----(MP exp) BrC1CC1[As]([H])([H]) 0.7Pred
C[AsH]C=CBr18727196.907C3H6AsBr(2-bromovinyl)(methyl)arsaneN115C[As]([H])C=CBrInChI=1S/C3H6AsBr/c1-4-2-3-5/h2-4H,1H3InChIKey=HVBGBBLSORFTJO-UHFFFAOYSA-N152.4Ex 152.44(BP est) -14.76(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=CBr -14.8Pred
[AsH2]CC=CBr18728196.907C3H6AsBr(3-bromoallyl)arsaneN115[As]([H])([H])CC=CBrInChI=1S/C3H6AsBr/c4-2-1-3-5/h1,3H,2,4H2InChIKey=VGFJVMYGSDJIIQ-UHFFFAOYSA-N154.5Ex 154.47(BP est) -5.98(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=CBr -6Pred
BrC[AsH]C=C18729196.907C3H6AsBr(bromomethyl)(vinyl)arsaneN115BrC[As]([H])C=CInChI=1S/C3H6AsBr/c1-2-4-3-5/h2,4H,1,3H2InChIKey=SDJHLQHRPHPQBO-UHFFFAOYSA-N144.0Ex 143.97(BP est) -15.57(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C=C -15.6Pred
BrC[As]1CC118730196.907C3H6AsBr1-(bromomethyl)arsiraneN115BrC[As]1CC1InChI=1S/C3H6AsBr/c5-3-4-1-2-4/h1-3H2InChIKey=DAAQHJAWIXHUNL-UHFFFAOYSA-N151.7Ex 151.74(BP est) -7.76(MP est) ----(BP exp) ----(MP exp) BrC[As]1CC1 -7.8Pred
C[As]1CC1Br18731196.907C3H6AsBr2-bromo-1-methylarsiraneN115C[As]1CC1BrInChI=1S/C3H6AsBr/c1-4-2-3(4)5/h3H,2H2,1H3InChIKey=OWVOYFGLPLSDBV-UHFFFAOYSA-N145.3Ex 145.32(BP est) -11.75(MP est) ----(BP exp) ----(MP exp) C[As]1CC1Br -11.8Pred
BrC1[AsH]CC118732196.907C3H6AsBr2-bromoarsetaneN115BrC1[As]([H])CC1InChI=1S/C3H6AsBr/c5-3-1-2-4-3/h3-4H,1-2H2InChIKey=GETVCPYCNACWKF-UHFFFAOYSA-N149.4Ex 149.41(BP est) -4.14(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])CC1 -4.1Pred
BrC1C[AsH]C118733196.907C3H6AsBr3-bromoarsetaneN115BrC1C[As]([H])C1InChI=1S/C3H6AsBr/c5-3-1-4-2-3/h3-4H,1-2H2InChIKey=HKRBQUCGTVIDTP-UHFFFAOYSA-N149.4Ex 149.41(BP est) -4.14(MP est) ----(BP exp) ----(MP exp) BrC1C[As]([H])C1 -4.1Pred
O[As](O)C(C)Br18734216.894C2H6AsBrO2(1-bromoethyl)arsonous acidN126O[As](O)C(C)BrInChI=1S/C2H6AsBrO2/c1-2(4)3(5)6/h2,5-6H,1H3InChIKey=LKFCDGVAQYKPPQ-UHFFFAOYSA-N283.4Ex 283.38(BP est) 65.51(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C)Br 65.5Pred
O[As](O)CCBr18735216.894C2H6AsBrO2(2-bromoethyl)arsonous acidN126O[As](O)CCBrInChI=1S/C2H6AsBrO2/c4-2-1-3(5)6/h5-6H,1-2H2InChIKey=LTWZCTYOBGVVPZ-UHFFFAOYSA-N292.7Ex 292.66(BP est) 75.72(MP est) ----(BP exp) ----(MP exp) O[As](O)CCBr 75.7Pred
C[AsH]C(Br)C18736198.923C3H8AsBr(1-bromoethyl)(methyl)arsaneN135C[As]([H])C(Br)CInChI=1S/C3H8AsBr/c1-3(5)4-2/h3-4H,1-2H3InChIKey=FBUOQNIHSDFTMA-UHFFFAOYSA-N132.1Ex 132.06(BP est) -25.67(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)C -25.7Pred
CC(CBr)[AsH2]18737198.923C3H8AsBr(1-bromopropan-2-yl)arsaneN135CC(CBr)[As]([H])([H])InChI=1S/C3H8AsBr/c1-3(4)2-5/h3H,2,4H2,1H3InChIKey=YCWIEZZYAYOOFC-UHFFFAOYSA-N134.2Ex 134.17(BP est) -16.87(MP est) ----(BP exp) ----(MP exp) CC(CBr)[As]([H])([H]) -16.9Pred
BrC(CC)[AsH2]18738198.923C3H8AsBr(1-bromopropyl)arsaneN135BrC(CC)[As]([H])([H])InChI=1S/C3H8AsBr/c1-2-3(4)5/h3H,2,4H2,1H3InChIKey=BUKOFUCLCRSFOT-UHFFFAOYSA-N134.2Ex 134.17(BP est) -16.87(MP est) ----(BP exp) ----(MP exp) BrC(CC)[As]([H])([H]) -16.9Pred
C[AsH]CCBr18739198.923C3H8AsBr(2-bromoethyl)(methyl)arsaneN135C[As]([H])CCBrInChI=1S/C3H8AsBr/c1-4-2-3-5/h4H,2-3H2,1H3InChIKey=GNCSLXXOINSDNA-UHFFFAOYSA-N145.6Ex 145.64(BP est) -14.21(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCBr -14.2Pred
BrC([AsH2])(C)C18740198.923C3H8AsBr(2-bromopropan-2-yl)arsaneN135BrC([As]([H])([H]))(C)CInChI=1S/C3H8AsBr/c1-3(2,4)5/h4H2,1-2H3InChIKey=ILYFVPLHCKCRJB-UHFFFAOYSA-N125.1Ex 125.10(BP est) -10.81(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(C)C -10.8Pred
BrC(C[AsH2])C18741198.923C3H8AsBr(2-bromopropyl)arsaneN135BrC(C[As]([H])([H]))CInChI=1S/C3H8AsBr/c1-3(5)2-4/h3H,2,4H2,1H3InChIKey=FKQLORFYKKXPJU-UHFFFAOYSA-N134.2Ex 134.17(BP est) -16.87(MP est) ----(BP exp) ----(MP exp) BrC(C[As]([H])([H]))C -16.9Pred
BrCCC[AsH2]18742198.923C3H8AsBr(3-bromopropyl)arsaneN135BrCCC[As]([H])([H])InChI=1S/C3H8AsBr/c4-2-1-3-5/h1-4H2InChIKey=KTMJNWQVOCUGLN-UHFFFAOYSA-N147.7Ex 147.69(BP est) -5.42(MP est) ----(BP exp) ----(MP exp) BrCCC[As]([H])([H]) -5.4Pred
BrC[AsH]CC18743198.923C3H8AsBr(bromomethyl)(ethyl)arsaneN135BrC[As]([H])CCInChI=1S/C3H8AsBr/c1-2-4-3-5/h4H,2-3H2,1H3InChIKey=BHXWYORSIDXACY-UHFFFAOYSA-N145.6Ex 145.64(BP est) -14.21(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CC -14.2Pred
C[As](C)CBr18744198.923C3H8AsBr(bromomethyl)dimethylarsaneN135C[As](C)CBrInChI=1S/C3H8AsBr/c1-4(2)3-5/h3H2,1-2H3InChIKey=PBOXVBJAQLMYRF-UHFFFAOYSA-N143.6Ex 143.57(BP est) -22.99(MP est) ----(BP exp) ----(MP exp) C[As](C)CBr -23Pred
C[As](C)[Se]C18745198.987C3H9AsSedimethyl(methylselanyl)arsaneN145C[As](C)[Se]CInChI=1S/C3H9AsSe/c1-4(2)5-3/h1-3H3InChIKey=HUEWEZFXLWQMMS-UHFFFAOYSA-N155.9Ex 155.92(BP est) -1.79(MP est) ----(BP exp) ----(MP exp) C[As](C)[Se]C -1.8Pred
[Se]=[As](C)(C)C18746198.987C3H9AsSetrimethylarsine selenideN145[Se]=[As](C)(C)CInChI=1S/C3H9AsSe/c1-4(2,3)5/h1-3H3InChIKey=JLDWFXYNJNIZGB-UHFFFAOYSA-N155.9Ex 155.92(BP est) -1.79(MP est) ----(BP exp) ----(MP exp) [Se]=[As](C)(C)C -1.8Pred
[AsH2]C(Br)=CF18747200.87C2H3AsBrF(1-bromo-2-fluorovinyl)arsaneN85[As]([H])([H])C(Br)=CFInChI=1S/C2H3AsBrF/c3-2(4)1-5/h1H,3H2InChIKey=PHGXCJGMYXKAER-UHFFFAOYSA-N128.1Ex 128.14(BP est) -25.99(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=CF -26Pred
[AsH2]C(F)=CBr18748200.87C2H3AsBrF(2-bromo-1-fluorovinyl)arsaneN85[As]([H])([H])C(F)=CBrInChI=1S/C2H3AsBrF/c3-2(5)1-4/h1H,3H2InChIKey=ZRIRADURLXDCHY-UHFFFAOYSA-N128.1Ex 128.14(BP est) -25.99(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=CBr -26Pred
[AsH2]C=C(F)Br18749200.87C2H3AsBrF(2-bromo-2-fluorovinyl)arsaneN85[As]([H])([H])C=C(F)BrInChI=1S/C2H3AsBrF/c3-1-2(4)5/h1H,3H2InChIKey=SYWWJNALOBMZHR-UHFFFAOYSA-N128.1Ex 128.14(BP est) -25.99(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(F)Br -26Pred
BrC1(F)[AsH]C118750200.87C2H3AsBrF2-bromo-2-fluoroarsiraneN85BrC1(F)[As]([H])C1InChI=1S/C2H3AsBrF/c4-2(5)1-3-2/h3H,1H2InChIKey=YRFVIMULZIGSBV-UHFFFAOYSA-N114.8Ex 114.75(BP est) -5.88(MP est) ----(BP exp) ----(MP exp) BrC1(F)[As]([H])C1 -5.9Pred
BrC1[AsH]C1F18751200.87C2H3AsBrF2-bromo-3-fluoroarsiraneN85BrC1[As]([H])C1FInChI=1S/C2H3AsBrF/c4-1-2(5)3-1/h1-3HInChIKey=DGFORDZUPJVEQR-UHFFFAOYSA-N120.3Ex 120.31(BP est) -18.33(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1F -18.3Pred
O[As](O)C(F)Br18752220.857CH3AsBrFO2(bromofluoromethyl)arsonous acidN96O[As](O)C(F)BrInChI=1S/CH3AsBrFO2/c3-1(4)2(5)6/h1,5-6HInChIKey=SYRYBNJDSFABRG-UHFFFAOYSA-N268.9Ex 268.87(BP est) 55.93(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)Br 55.9Pred
[AsH2]C(Br)(F)C18753202.886C2H5AsBrF(1-bromo-1-fluoroethyl)arsaneN105[As]([H])([H])C(Br)(F)CInChI=1S/C2H5AsBrF/c1-2(3,4)5/h3H2,1H3InChIKey=KILTVOGLKHVFFB-UHFFFAOYSA-N103.9Ex 103.92(BP est) -22.33(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)C -22.3Pred
[AsH2]C(CF)Br18754202.886C2H5AsBrF(1-bromo-2-fluoroethyl)arsaneN105[As]([H])([H])C(CF)BrInChI=1S/C2H5AsBrF/c3-2(4)1-5/h2H,1,3H2InChIKey=JORVFGNHFQTJBX-UHFFFAOYSA-N113.3Ex 113.32(BP est) -28.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CF)Br -28.3Pred
[AsH2]C(CBr)F18755202.886C2H5AsBrF(2-bromo-1-fluoroethyl)arsaneN105[As]([H])([H])C(CBr)FInChI=1S/C2H5AsBrF/c3-2(5)1-4/h2H,1,3H2InChIKey=CHCLJIWERBOXCC-UHFFFAOYSA-N113.3Ex 113.32(BP est) -28.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CBr)F -28.3Pred
[AsH2]CC(F)Br18756202.886C2H5AsBrF(2-bromo-2-fluoroethyl)arsaneN105[As]([H])([H])CC(F)BrInChI=1S/C2H5AsBrF/c3-1-2(4)5/h2H,1,3H2InChIKey=AGKPSCZERIMRRJ-UHFFFAOYSA-N113.3Ex 113.32(BP est) -28.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)Br -28.3Pred
C[AsH]C(F)Br18757202.886C2H5AsBrF(bromofluoromethyl)(methyl)arsaneN105C[As]([H])C(F)BrInChI=1S/C2H5AsBrF/c1-3-2(4)5/h2-3H,1H3InChIKey=OGINHQJOXNIZJT-UHFFFAOYSA-N111.1Ex 111.14(BP est) -37.12(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)Br -37.1Pred
BrC[AsH]CF18758202.886C2H5AsBrF(bromomethyl)(fluoromethyl)arsaneN105BrC[As]([H])CFInChI=1S/C2H5AsBrF/c4-1-3-2-5/h3H,1-2H2InChIKey=REBCFZAJMORLSI-UHFFFAOYSA-N125.2Ex 125.20(BP est) -25.51(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CF -25.5Pred
C#C[AsH]C#CBr18759204.886C4H2AsBr(bromoethynyl)(ethynyl)arsaneN86C#C[As]([H])C#CBrInChI=1S/C4H2AsBr/c1-2-5-3-4-6/h1,5HInChIKey=WJERGDCQRKBINB-UHFFFAOYSA-N189.9Ex 189.85(BP est) 39.03(MP est) ----(BP exp) ----(MP exp) C#C[As]([H])C#CBr 39Pred
BrC(Cl)[AsH2]18760205.311CH3AsBrCl(bromochloromethyl)arsaneN74BrC(Cl)[As]([H])([H])InChI=1S/CH3AsBrCl/c2-1(3)4/h1H,2H2InChIKey=ZNPVDDWRKLTQRP-UHFFFAOYSA-N137.2Ex 137.17(BP est) -12.30(MP est) ----(BP exp) ----(MP exp) BrC(Cl)[As]([H])([H]) -12.3Pred
[AsH2]C(Br)(F)F18761206.849CH2AsBrF2(bromodifluoromethyl)arsaneN75[As]([H])([H])C(Br)(F)FInChI=1S/CH2AsBrF2/c2-1(3,4)5/h2H2InChIKey=KDARSJJUHQOUNJ-UHFFFAOYSA-N82.0Ex 82.01(BP est) -34.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)F -34.1Pred
BrC([AsH]C#C)=C18762206.902C4H4AsBr(1-bromovinyl)(ethynyl)arsaneN106BrC([As]([H])C#C)=CInChI=1S/C4H4AsBr/c1-3-5-4(2)6/h1,5H,2H2InChIKey=DBEPEDXJURWGKK-UHFFFAOYSA-N167.5Ex 167.50(BP est) 13.43(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])C#C)=C 13.4Pred
BrC=C[AsH]C#C18763206.902C4H4AsBr(2-bromovinyl)(ethynyl)arsaneN106BrC=C[As]([H])C#CInChI=1S/C4H4AsBr/c1-2-5-3-4-6/h1,3-5HInChIKey=VVFHRPSDJMAIQQ-UHFFFAOYSA-N181.3Ex 181.29(BP est) 22.78(MP est) ----(BP exp) ----(MP exp) BrC=C[As]([H])C#C 22.8Pred
C=C[AsH]C#CBr18764206.902C4H4AsBr(bromoethynyl)(vinyl)arsaneN106C=C[As]([H])C#CBrInChI=1S/C4H4AsBr/c1-2-5-3-4-6/h2,5H,1H2InChIKey=LCYZKZDJGAOHBZ-UHFFFAOYSA-N181.1Ex 181.10(BP est) 23.01(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C#CBr 23Pred
BrC#C[As]1CC118765206.902C4H4AsBr1-(bromoethynyl)arsiraneN106BrC#C[As]1CC1InChI=1S/C4H4AsBr/c6-4-3-5-1-2-5/h1-2H2InChIKey=VFDUEOZRWGFQOD-UHFFFAOYSA-N188.3Ex 188.31(BP est) 28.95(MP est) ----(BP exp) ----(MP exp) BrC#C[As]1CC1 29Pred
C#C[As]1CC1Br18766206.902C4H4AsBr2-bromo-1-ethynylarsiraneN106C#C[As]1CC1BrInChI=1S/C4H4AsBr/c1-2-5-3-4(5)6/h1,4H,3H2InChIKey=WKRHEERORWGGBR-UHFFFAOYSA-N174.6Ex 174.56(BP est) 25.90(MP est) ----(BP exp) ----(MP exp) C#C[As]1CC1Br 25.9Pred
BrC1=CC=C[AsH]118767206.902C4H4AsBr2-bromo-1H-arsoleN106BrC1=CC=C[As]([H])1InChI=1S/C4H4AsBr/c6-4-2-1-3-5-4/h1-3,5HInChIKey=VPFMBHNOSYUGRJ-UHFFFAOYSA-N182.7Ex 182.73(BP est) 18.61(MP est) ----(BP exp) ----(MP exp) BrC1=CC=C[As]([H])1 18.6Pred
BrC1=C[AsH]C=C118768206.902C4H4AsBr3-bromo-1H-arsoleN106BrC1=C[As]([H])C=C1InChI=1S/C4H4AsBr/c6-4-1-2-5-3-4/h1-3,5HInChIKey=VXFQQTVRONTCBF-UHFFFAOYSA-N182.7Ex 182.73(BP est) 18.61(MP est) ----(BP exp) ----(MP exp) BrC1=C[As]([H])C=C1 18.6Pred
C[As](F)(F)=[Se]18769206.913CH3AsF2Semethylarsonoselenoic difluorideN85C[As](F)(F)=[Se]InChI=1S/CH3AsF2Se/c1-2(3,4)5/h1H3InChIKey=YIDJBSRFNRIKLJ-UHFFFAOYSA-N115.1Ex 115.07(BP est) -24.40(MP est) ----(BP exp) ----(MP exp) C[As](F)(F)=[Se] -24.4Pred
[AsH2]C(Cl)=C(Cl)Cl18770207.31C2H2AsCl3(1,2,2-trichlorovinyl)arsaneN86[As]([H])([H])C(Cl)=C(Cl)ClInChI=1S/C2H2AsCl3/c3-1(4)2(5)6/h3H2InChIKey=WAVZONJLOIMUQZ-UHFFFAOYSA-N148.1Ex 148.11(BP est) -12.46(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(Cl)Cl -12.5Pred
ClC1[AsH]C1(Cl)Cl18771207.31C2H2AsCl32,2,3-trichloroarsiraneN86ClC1[As]([H])C1(Cl)ClInChI=1S/C2H2AsCl3/c4-1-2(5,6)3-1/h1,3HInChIKey=CUYMPULTYRLHFD-UHFFFAOYSA-N152.9Ex 152.89(BP est) 17.81(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(Cl)Cl 17.8Pred
O[As](O)C(C#C)Br18772226.889C3H4AsBrO2(1-bromoprop-2-yn-1-yl)arsonous acidN117O[As](O)C(C#C)BrInChI=1S/C3H4AsBrO2/c1-2-3(5)4(6)7/h1,3,6-7HInChIKey=OAYPBTFVNXXKEF-UHFFFAOYSA-N303.7Ex 303.73(BP est) 88.27(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C#C)Br 88.3Pred
O[As](O)CC#CBr18773226.889C3H4AsBrO2(3-bromoprop-2-yn-1-yl)arsonous acidN117O[As](O)CC#CBrInChI=1S/C3H4AsBrO2/c5-3-1-2-4(6)7/h6-7H,2H2InChIKey=HBCBAHJAXIEMTI-UHFFFAOYSA-N317.4Ex 317.41(BP est) 106.65(MP est) ----(BP exp) ----(MP exp) O[As](O)CC#CBr 106.7Pred
BrC(CC#C)[AsH2]18774208.918C4H6AsBr(1-bromobut-3-yn-1-yl)arsaneN126BrC(CC#C)[As]([H])([H])InChI=1S/C4H6AsBr/c1-2-3-4(5)6/h1,4H,3,5H2InChIKey=XUNZJYANHSMGTJ-UHFFFAOYSA-N164.0Ex 164.01(BP est) 20.96(MP est) ----(BP exp) ----(MP exp) BrC(CC#C)[As]([H])([H]) 21Pred
BrCC(C#C)[AsH2]18775208.918C4H6AsBr(1-bromobut-3-yn-2-yl)arsaneN126BrCC(C#C)[As]([H])([H])InChI=1S/C4H6AsBr/c1-2-4(5)3-6/h1,4H,3,5H2InChIKey=NJBJUJSUZCGMKU-UHFFFAOYSA-N164.0Ex 164.01(BP est) 20.96(MP est) ----(BP exp) ----(MP exp) BrCC(C#C)[As]([H])([H]) 21Pred
BrC1([AsH2])C=CC118776208.918C4H6AsBr(1-bromocyclobut-2-en-1-yl)arsaneN126BrC1([As]([H])([H]))C=CC1InChI=1S/C4H6AsBr/c5-4(6)2-1-3-4/h1-2H,3,5H2InChIKey=FOVPAKQNWCFOQG-UHFFFAOYSA-N166.5Ex 166.53(BP est) 25.25(MP est) ----(BP exp) ----(MP exp) BrC1([As]([H])([H]))C=CC1 25.3Pred
BrC(C)[AsH]C#C18777208.918C4H6AsBr(1-bromoethyl)(ethynyl)arsaneN126BrC(C)[As]([H])C#CInChI=1S/C4H6AsBr/c1-3-5-4(2)6/h1,4-5H,2H3InChIKey=SDELPDLROPPACW-UHFFFAOYSA-N162.0Ex 162.02(BP est) 12.20(MP est) ----(BP exp) ----(MP exp) BrC(C)[As]([H])C#C 12.2Pred
C[AsH]C(Br)C#C18778208.918C4H6AsBr(1-bromoprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])C(Br)C#CInChI=1S/C4H6AsBr/c1-3-4(6)5-2/h1,4-5H,2H3InChIKey=XFWWACIIZCSUIO-UHFFFAOYSA-N162.0Ex 162.02(BP est) 12.20(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)C#C 12.2Pred
C=C[AsH]C(Br)=C18779208.918C4H6AsBr(1-bromovinyl)(vinyl)arsaneN126C=C[As]([H])C(Br)=CInChI=1S/C4H6AsBr/c1-3-5-4(2)6/h3,5H,1-2H2InChIKey=RGFLWVKAYSHKRA-UHFFFAOYSA-N158.3Ex 158.33(BP est) -13.61(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C(Br)=C -13.6Pred
BrC(C[AsH2])C#C18780208.918C4H6AsBr(2-bromobut-3-yn-1-yl)arsaneN126BrC(C[As]([H])([H]))C#CInChI=1S/C4H6AsBr/c1-2-4(6)3-5/h1,4H,3,5H2InChIKey=OIAUPCJPWKHIRP-UHFFFAOYSA-N164.0Ex 164.01(BP est) 20.96(MP est) ----(BP exp) ----(MP exp) BrC(C[As]([H])([H]))C#C 21Pred
BrC([AsH2])(C)C#C18781208.918C4H6AsBr(2-bromobut-3-yn-2-yl)arsaneN126BrC([As]([H])([H]))(C)C#CInChI=1S/C4H6AsBr/c1-3-4(2,5)6/h1H,5H2,2H3InChIKey=NIBUPOKVZGBJMJ-UHFFFAOYSA-N155.4Ex 155.43(BP est) 27.17(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(C)C#C 27.2Pred
BrCC[AsH]C#C18782208.918C4H6AsBr(2-bromoethyl)(ethynyl)arsaneN126BrCC[As]([H])C#CInChI=1S/C4H6AsBr/c1-2-5-3-4-6/h1,5H,3-4H2InChIKey=QLBDBRPTENMWGD-UHFFFAOYSA-N174.9Ex 174.86(BP est) 23.44(MP est) ----(BP exp) ----(MP exp) BrCC[As]([H])C#C 23.4Pred
C=C[AsH]C=CBr18783208.918C4H6AsBr(2-bromovinyl)(vinyl)arsaneN126C=C[As]([H])C=CBrInChI=1S/C4H6AsBr/c1-2-5-3-4-6/h2-5H,1H2InChIKey=NQEFENFUISYABH-UHFFFAOYSA-N172.4Ex 172.38(BP est) -4.18(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C=CBr -4.2Pred
C[AsH]CC#CBr18784208.918C4H6AsBr(3-bromoprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])CC#CBrInChI=1S/C4H6AsBr/c1-5-3-2-4-6/h5H,3H2,1H3InChIKey=LBZSVZJCNMKMMU-UHFFFAOYSA-N182.6Ex 182.64(BP est) 24.13(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC#CBr 24.1Pred
CC[AsH]C#CBr18785208.918C4H6AsBr(bromoethynyl)(ethyl)arsaneN126CC[As]([H])C#CBrInChI=1S/C4H6AsBr/c1-2-5-3-4-6/h5H,2H2,1H3InChIKey=MYDRAGWRAIVMMF-UHFFFAOYSA-N182.6Ex 182.64(BP est) 24.13(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C#CBr 24.1Pred
C[As](C#CBr)C18786208.918C4H6AsBr(bromoethynyl)dimethylarsaneN126C[As](C#CBr)CInChI=1S/C4H6AsBr/c1-5(2)3-4-6/h1-2H3InChIKey=QEXMUPHTGCOLQA-UHFFFAOYSA-N180.7Ex 180.73(BP est) 19.20(MP est) ----(BP exp) ----(MP exp) C[As](C#CBr)C 19.2Pred
C[As](C#C)CBr18787208.918C4H6AsBr(bromomethyl)(ethynyl)(methyl)arsaneN126C[As](C#C)CBrInChI=1S/C4H6AsBr/c1-3-5(2)4-6/h1H,4H2,2H3InChIKey=OPBNUGPBSZPEBG-UHFFFAOYSA-N172.9Ex 172.91(BP est) 14.69(MP est) ----(BP exp) ----(MP exp) C[As](C#C)CBr 14.7Pred
BrC[AsH]CC#C18788208.918C4H6AsBr(bromomethyl)(prop-2-yn-1-yl)arsaneN126BrC[As]([H])CC#CInChI=1S/C4H6AsBr/c1-2-3-5-4-6/h1,5H,3-4H2InChIKey=VJJLKWPYARSYPE-UHFFFAOYSA-N174.9Ex 174.86(BP est) 23.44(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CC#C 23.4Pred
BrC([As]1CC1)=C18789208.918C4H6AsBr1-(1-bromovinyl)arsiraneN126BrC([As]1CC1)=CInChI=1S/C4H6AsBr/c1-4(6)5-2-3-5/h1-3H2InChIKey=JFVSGPYNDVAPFI-UHFFFAOYSA-N165.9Ex 165.89(BP est) -5.85(MP est) ----(BP exp) ----(MP exp) BrC([As]1CC1)=C -5.9Pred
BrC=C[As]1CC118790208.918C4H6AsBr1-(2-bromovinyl)arsiraneN126BrC=C[As]1CC1InChI=1S/C4H6AsBr/c6-4-3-5-1-2-5/h3-4H,1-2H2InChIKey=GDSQUIZFFVZCPL-UHFFFAOYSA-N179.7Ex 179.73(BP est) 3.51(MP est) ----(BP exp) ----(MP exp) BrC=C[As]1CC1 3.5Pred
BrC[As]1CC=C118791208.918C4H6AsBr1-(bromomethyl)-1,2-dihydroarseteN126BrC[As]1CC=C1InChI=1S/C4H6AsBr/c6-4-5-2-1-3-5/h1-2H,3-4H2InChIKey=YXFUDJUXSULQBW-UHFFFAOYSA-N178.0Ex 177.96(BP est) 4.15(MP est) ----(BP exp) ----(MP exp) BrC[As]1CC=C1 4.2Pred
C[As]1C(Br)C=C118792208.918C4H6AsBr2-bromo-1-methyl-1,2-dihydroarseteN126C[As]1C(Br)C=C1InChI=1S/C4H6AsBr/c1-5-3-2-4(5)6/h2-4H,1H3InChIKey=WTOCCYHLBCODKZ-UHFFFAOYSA-N171.9Ex 171.87(BP est) 0.25(MP est) ----(BP exp) ----(MP exp) C[As]1C(Br)C=C1 0.3Pred
BrC1[As](C=C)C118793208.918C4H6AsBr2-bromo-1-vinylarsiraneN126BrC1[As](C=C)C1InChI=1S/C4H6AsBr/c1-2-5-3-4(5)6/h2,4H,1,3H2InChIKey=MTRCMGNSOVDGKO-UHFFFAOYSA-N165.5Ex 165.53(BP est) -1.10(MP est) ----(BP exp) ----(MP exp) BrC1[As](C=C)C1 -1.1Pred
BrC1[AsH]C=CC118794208.918C4H6AsBr2-bromo-2,3-dihydro-1H-arsoleN126BrC1[As]([H])C=CC1InChI=1S/C4H6AsBr/c6-4-2-1-3-5-4/h1,3-5H,2H2InChIKey=SICQHYDNOZRDRL-UHFFFAOYSA-N175.7Ex 175.74(BP est) 7.81(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C=CC1 7.8Pred
C[As]1CC(Br)=C118795208.918C4H6AsBr3-bromo-1-methyl-1,2-dihydroarseteN126C[As]1CC(Br)=C1InChI=1S/C4H6AsBr/c1-5-2-4(6)3-5/h2H,3H2,1H3InChIKey=LFFVCMXRYBYVDW-UHFFFAOYSA-N176.2Ex 176.16(BP est) 9.88(MP est) ----(BP exp) ----(MP exp) C[As]1CC(Br)=C1 9.9Pred
BrC1C[AsH]C=C118796208.918C4H6AsBr3-bromo-2,3-dihydro-1H-arsoleN126BrC1C[As]([H])C=C1InChI=1S/C4H6AsBr/c6-4-1-2-5-3-4/h1-2,4-5H,3H2InChIKey=CBNCKUKEPJDZCW-UHFFFAOYSA-N175.7Ex 175.74(BP est) 7.81(MP est) ----(BP exp) ----(MP exp) BrC1C[As]([H])C=C1 7.8Pred
C[As]1CC=C1Br18797208.918C4H6AsBr4-bromo-1-methyl-1,2-dihydroarseteN126C[As]1CC=C1BrInChI=1S/C4H6AsBr/c1-5-3-2-4(5)6/h2H,3H2,1H3InChIKey=JUQROWCLZCKDOW-UHFFFAOYSA-N176.2Ex 176.16(BP est) 9.88(MP est) ----(BP exp) ----(MP exp) C[As]1CC=C1Br 9.9Pred
BrC1=C[AsH]CC118798208.918C4H6AsBr4-bromo-2,3-dihydro-1H-arsoleN126BrC1=C[As]([H])CC1InChI=1S/C4H6AsBr/c6-4-1-2-5-3-4/h3,5H,1-2H2InChIKey=OPGDXWLFQKLWRR-UHFFFAOYSA-N180.0Ex 180.01(BP est) 17.43(MP est) ----(BP exp) ----(MP exp) BrC1=C[As]([H])CC1 17.4Pred
BrC1=CCC[AsH]118799208.918C4H6AsBr5-bromo-2,3-dihydro-1H-arsoleN126BrC1=CCC[As]([H])1InChI=1S/C4H6AsBr/c6-4-2-1-3-5-4/h2,5H,1,3H2InChIKey=NQFAQYZKSDRDLU-UHFFFAOYSA-N180.0Ex 180.01(BP est) 17.43(MP est) ----(BP exp) ----(MP exp) BrC1=CCC[As]([H])1 17.4Pred
O[As](O)C(Cl)(Cl)Cl18800227.297CH2AsCl3O2(trichloromethyl)arsonous acidN97O[As](O)C(Cl)(Cl)ClInChI=1S/CH2AsCl3O2/c3-1(4,5)2(6)7/h6-7HInChIKey=JWYJPGIFWSMUNZ-UHFFFAOYSA-N285.4Ex 285.36(BP est) 73.74(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(Cl)Cl 73.7Pred
ClC([AsH2])(Cl)CCl18801209.326C2H4AsCl3(1,1,2-trichloroethyl)arsaneN106ClC([As]([H])([H]))(Cl)CClInChI=1S/C2H4AsCl3/c3-2(5,6)1-4/h1,3H2InChIKey=LGVOXKKEDDIMKL-UHFFFAOYSA-N161.1Ex 161.12(BP est) 9.05(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(Cl)CCl 9.1Pred
ClC(C(Cl)Cl)[AsH2]18802209.326C2H4AsCl3(1,2,2-trichloroethyl)arsaneN106ClC(C(Cl)Cl)[As]([H])([H])InChI=1S/C2H4AsCl3/c3-1(4)2(5)6/h1-2H,3H2InChIKey=PMQXRDDPNFIXGR-UHFFFAOYSA-N168.3Ex 168.33(BP est) -5.05(MP est) ----(BP exp) ----(MP exp) ClC(C(Cl)Cl)[As]([H])([H]) -5.1Pred
ClC(Cl)(C[AsH2])Cl18803209.326C2H4AsCl3(2,2,2-trichloroethyl)arsaneN106ClC(Cl)(C[As]([H])([H]))ClInChI=1S/C2H4AsCl3/c3-1-2(4,5)6/h1,3H2InChIKey=TXFCMKVOSVDWMR-UHFFFAOYSA-N137.0Ex 137.04(BP est) 2.02(MP est) ----(BP exp) ----(MP exp) ClC(Cl)(C[As]([H])([H]))Cl 2Pred
ClC[AsH]C(Cl)Cl18804209.326C2H4AsCl3(chloromethyl)(dichloromethyl)arsaneN106ClC[As]([H])C(Cl)ClInChI=1S/C2H4AsCl3/c4-1-3-2(5)6/h2-3H,1H2InChIKey=ZWFHBBZWWKOYFC-UHFFFAOYSA-N190.3Ex 190.33(BP est) 0.68(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(Cl)Cl 0.7Pred
C[AsH]C(Cl)(Cl)Cl18805209.326C2H4AsCl3methyl(trichloromethyl)arsaneN106C[As]([H])C(Cl)(Cl)ClInChI=1S/C2H4AsCl3/c1-3-2(4,5)6/h3H,1H3InChIKey=KBLALAMAYLIPGD-UHFFFAOYSA-N134.9Ex 134.94(BP est) -6.77(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(Cl)Cl -6.8Pred
O[As](O)C(C=C)Br18806228.905C3H6AsBrO2(1-bromoallyl)arsonous acidN137O[As](O)C(C=C)BrInChI=1S/C3H6AsBrO2/c1-2-3(5)4(6)7/h2-3,6-7H,1H2InChIKey=QAMCPUJPGPNQKW-UHFFFAOYSA-N297.5Ex 297.49(BP est) 74.38(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C=C)Br 74.4Pred
O[As](O)CC(Br)=C18807228.905C3H6AsBrO2(2-bromoallyl)arsonous acidN137O[As](O)CC(Br)=CInChI=1S/C3H6AsBrO2/c1-3(5)2-4(6)7/h6-7H,1-2H2InChIKey=FDDXLOSMIXTDNI-UHFFFAOYSA-N302.3Ex 302.34(BP est) 76.32(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(Br)=C 76.3Pred
O[As](O)CC=CBr18808228.905C3H6AsBrO2(3-bromoallyl)arsonous acidN137O[As](O)CC=CBrInChI=1S/C3H6AsBrO2/c5-3-1-2-4(6)7/h1,3,6-7H,2H2InChIKey=MBUMUIOFKBJZLC-UHFFFAOYSA-N311.7Ex 311.68(BP est) 84.36(MP est) ----(BP exp) ----(MP exp) O[As](O)CC=CBr 84.4Pred
BrC1(C[AsH2])CC118809210.934C4H8AsBr((1-bromocyclopropyl)methyl)arsaneN146BrC1(C[As]([H])([H]))CC1InChI=1S/C4H8AsBr/c5-3-4(6)1-2-4/h1-3,5H2InChIKey=YGVAQJKWGHPSBC-UHFFFAOYSA-N161.7Ex 161.74(BP est) 25.23(MP est) ----(BP exp) ----(MP exp) BrC1(C[As]([H])([H]))CC1 25.2Pred
BrC1CC1C[AsH2]18810210.934C4H8AsBr((2-bromocyclopropyl)methyl)arsaneN146BrC1CC1C[As]([H])([H])InChI=1S/C4H8AsBr/c5-2-3-1-4(3)6/h3-4H,1-2,5H2InChIKey=VSYYKPKVBVLMSQ-UHFFFAOYSA-N166.9Ex 166.85(BP est) 12.65(MP est) ----(BP exp) ----(MP exp) BrC1CC1C[As]([H])([H]) 12.7Pred
BrCC1([AsH2])CC118811210.934C4H8AsBr(1-(bromomethyl)cyclopropyl)arsaneN146BrCC1([As]([H])([H]))CC1InChI=1S/C4H8AsBr/c5-4(3-6)1-2-4/h1-3,5H2InChIKey=ZXNHSGNPABHGRH-UHFFFAOYSA-N161.7Ex 161.74(BP est) 25.23(MP est) ----(BP exp) ----(MP exp) BrCC1([As]([H])([H]))CC1 25.2Pred
C[AsH]C(Br)C=C18812210.934C4H8AsBr(1-bromoallyl)(methyl)arsaneN146C[As]([H])C(Br)C=CInChI=1S/C4H8AsBr/c1-3-4(6)5-2/h3-5H,1H2,2H3InChIKey=PZFWCTZLZBSJLA-UHFFFAOYSA-N152.8Ex 152.76(BP est) -14.87(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)C=C -14.9Pred
BrC(CC=C)[AsH2]18813210.934C4H8AsBr(1-bromobut-3-en-1-yl)arsaneN146BrC(CC=C)[As]([H])([H])InChI=1S/C4H8AsBr/c1-2-3-4(5)6/h2,4H,1,3,5H2InChIKey=FYRYIWATQPTNAW-UHFFFAOYSA-N154.8Ex 154.79(BP est) -6.10(MP est) ----(BP exp) ----(MP exp) BrC(CC=C)[As]([H])([H]) -6.1Pred
BrCC(C=C)[AsH2]18814210.934C4H8AsBr(1-bromobut-3-en-2-yl)arsaneN146BrCC(C=C)[As]([H])([H])InChI=1S/C4H8AsBr/c1-2-4(5)3-6/h2,4H,1,3,5H2InChIKey=OJMKESZYZWYLKK-UHFFFAOYSA-N154.8Ex 154.79(BP est) -6.10(MP est) ----(BP exp) ----(MP exp) BrCC(C=C)[As]([H])([H]) -6.1Pred
BrC1([AsH2])CCC118815210.934C4H8AsBr(1-bromocyclobutyl)arsaneN146BrC1([As]([H])([H]))CCC1InChI=1S/C4H8AsBr/c5-4(6)2-1-3-4/h1-3,5H2InChIKey=VGNXHBBDHVHQMI-UHFFFAOYSA-N163.7Ex 163.71(BP est) 24.05(MP est) ----(BP exp) ----(MP exp) BrC1([As]([H])([H]))CCC1 24.1Pred
C[AsH]C1(Br)CC118816210.934C4H8AsBr(1-bromocyclopropyl)(methyl)arsaneN146C[As]([H])C1(Br)CC1InChI=1S/C4H8AsBr/c1-5-4(6)2-3-4/h5H,2-3H2,1H3InChIKey=ZBBBOUJNYLFGHK-UHFFFAOYSA-N159.7Ex 159.74(BP est) 16.46(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1(Br)CC1 16.5Pred
BrC(C)[AsH]C=C18817210.934C4H8AsBr(1-bromoethyl)(vinyl)arsaneN146BrC(C)[As]([H])C=CInChI=1S/C4H8AsBr/c1-3-5-4(2)6/h3-5H,1H2,2H3InChIKey=JRTBMMHKCXGVOX-UHFFFAOYSA-N152.8Ex 152.76(BP est) -14.87(MP est) ----(BP exp) ----(MP exp) BrC(C)[As]([H])C=C -14.9Pred
CC[AsH]C(Br)=C18818210.934C4H8AsBr(1-bromovinyl)(ethyl)arsaneN146CC[As]([H])C(Br)=CInChI=1S/C4H8AsBr/c1-3-5-4(2)6/h5H,2-3H2,1H3InChIKey=XPXBHAOVUSFMDR-UHFFFAOYSA-N160.0Ex 159.95(BP est) -12.25(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(Br)=C -12.3Pred
C[As](C(Br)=C)C18819210.934C4H8AsBr(1-bromovinyl)dimethylarsaneN146C[As](C(Br)=C)CInChI=1S/C4H8AsBr/c1-4(6)5(2)3/h1H2,2-3H3InChIKey=NUBYYAPZXUFUEG-UHFFFAOYSA-N158.0Ex 157.95(BP est) -21.02(MP est) ----(BP exp) ----(MP exp) C[As](C(Br)=C)C -21Pred
CC1([AsH2])C(Br)C118820210.934C4H8AsBr(2-bromo-1-methylcyclopropyl)arsaneN146CC1([As]([H])([H]))C(Br)C1InChI=1S/C4H8AsBr/c1-4(5)2-3(4)6/h3H,2,5H2,1H3InChIKey=LYDDGGOIXAOMHW-UHFFFAOYSA-N155.5Ex 155.45(BP est) 21.28(MP est) ----(BP exp) ----(MP exp) CC1([As]([H])([H]))C(Br)C1 21.3Pred
C[AsH]CC(Br)=C18821210.934C4H8AsBr(2-bromoallyl)(methyl)arsaneN146C[As]([H])CC(Br)=CInChI=1S/C4H8AsBr/c1-4(6)3-5-2/h5H,1,3H2,2H3InChIKey=QSPTWUUKAKCZTJ-UHFFFAOYSA-N160.0Ex 159.95(BP est) -12.25(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(Br)=C -12.3Pred
BrC(C[AsH2])C=C18822210.934C4H8AsBr(2-bromobut-3-en-1-yl)arsaneN146BrC(C[As]([H])([H]))C=CInChI=1S/C4H8AsBr/c1-2-4(6)3-5/h2,4H,1,3,5H2InChIKey=LBSXAINZXKFJPC-UHFFFAOYSA-N154.8Ex 154.79(BP est) -6.10(MP est) ----(BP exp) ----(MP exp) BrC(C[As]([H])([H]))C=C -6.1Pred
BrC([AsH2])(C)C=C18823210.934C4H8AsBr(2-bromobut-3-en-2-yl)arsaneN146BrC([As]([H])([H]))(C)C=CInChI=1S/C4H8AsBr/c1-3-4(2,5)6/h3H,1,5H2,2H3InChIKey=MLOORDQVGLUVQJ-UHFFFAOYSA-N146.1Ex 146.05(BP est) 0.06(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(C)C=C 0.1Pred
BrC1CCC1[AsH2]18824210.934C4H8AsBr(2-bromocyclobutyl)arsaneN146BrC1CCC1[As]([H])([H])InChI=1S/C4H8AsBr/c5-3-1-2-4(3)6/h3-4H,1-2,5H2InChIKey=NRAVDTDOOPEYKY-UHFFFAOYSA-N168.8Ex 168.80(BP est) 11.47(MP est) ----(BP exp) ----(MP exp) BrC1CCC1[As]([H])([H]) 11.5Pred
C[AsH]C1C(Br)C118825210.934C4H8AsBr(2-bromocyclopropyl)(methyl)arsaneN146C[As]([H])C1C(Br)C1InChI=1S/C4H8AsBr/c1-5-3-2-4(3)6/h3-5H,2H2,1H3InChIKey=SPYIHRVCQIHLFZ-UHFFFAOYSA-N164.9Ex 164.87(BP est) 3.89(MP est) ----(BP exp) ----(MP exp) C[As]([H])C1C(Br)C1 3.9Pred
BrCC[AsH]C=C18826210.934C4H8AsBr(2-bromoethyl)(vinyl)arsaneN146BrCC[As]([H])C=CInChI=1S/C4H8AsBr/c1-2-5-3-4-6/h2,5H,1,3-4H2InChIKey=CZIHJPLZPZWMBU-UHFFFAOYSA-N165.8Ex 165.83(BP est) -3.56(MP est) ----(BP exp) ----(MP exp) BrCC[As]([H])C=C -3.6Pred
CC[AsH]C=CBr18827210.934C4H8AsBr(2-bromovinyl)(ethyl)arsaneN146CC[As]([H])C=CBrInChI=1S/C4H8AsBr/c1-2-5-3-4-6/h3-5H,2H2,1H3InChIKey=KLFDFNCPEYNHHP-UHFFFAOYSA-N174.0Ex 173.96(BP est) -2.84(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C=CBr -2.8Pred
C[As](C=CBr)C18828210.934C4H8AsBr(2-bromovinyl)dimethylarsaneN146C[As](C=CBr)CInChI=1S/C4H8AsBr/c1-5(2)3-4-6/h3-4H,1-2H3InChIKey=VLQUFUFXBWUTIF-UHFFFAOYSA-N172.0Ex 172.00(BP est) -11.60(MP est) ----(BP exp) ----(MP exp) C[As](C=CBr)C -11.6Pred
C[AsH]CC=CBr18829210.934C4H8AsBr(3-bromoallyl)(methyl)arsaneN146C[As]([H])CC=CBrInChI=1S/C4H8AsBr/c1-5-3-2-4-6/h2,4-5H,3H2,1H3InChIKey=HJPDLLOLPACZHO-UHFFFAOYSA-N174.0Ex 173.96(BP est) -2.84(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC=CBr -2.8Pred
BrC(CC[AsH2])=C18830210.934C4H8AsBr(3-bromobut-3-en-1-yl)arsaneN146BrC(CC[As]([H])([H]))=CInChI=1S/C4H8AsBr/c1-4(6)2-3-5/h1-3,5H2InChIKey=ZNAQJKIBQCIPIX-UHFFFAOYSA-N162.0Ex 161.95(BP est) -3.48(MP est) ----(BP exp) ----(MP exp) BrC(CC[As]([H])([H]))=C -3.5Pred
CC(C(Br)=C)[AsH2]18831210.934C4H8AsBr(3-bromobut-3-en-2-yl)arsaneN146CC(C(Br)=C)[As]([H])([H])InChI=1S/C4H8AsBr/c1-3(5)4(2)6/h3H,2,5H2,1H3InChIKey=LGZYAXQIAGKXHQ-UHFFFAOYSA-N148.8Ex 148.79(BP est) -14.83(MP est) ----(BP exp) ----(MP exp) CC(C(Br)=C)[As]([H])([H]) -14.8Pred
BrC1CC([AsH2])C118832210.934C4H8AsBr(3-bromocyclobutyl)arsaneN146BrC1CC([As]([H])([H]))C1InChI=1S/C4H8AsBr/c5-3-1-4(6)2-3/h3-4H,1-2,5H2InChIKey=GSOVCTAHOWKYNE-UHFFFAOYSA-N168.8Ex 168.80(BP est) 11.47(MP est) ----(BP exp) ----(MP exp) BrC1CC([As]([H])([H]))C1 11.5Pred
CC(C=CBr)[AsH2]18833210.934C4H8AsBr(4-bromobut-3-en-2-yl)arsaneN146CC(C=CBr)[As]([H])([H])InChI=1S/C4H8AsBr/c1-4(5)2-3-6/h2-4H,5H2,1H3InChIKey=WNDFSVCAEFUOFG-UHFFFAOYSA-N163.1Ex 163.09(BP est) -5.33(MP est) ----(BP exp) ----(MP exp) CC(C=CBr)[As]([H])([H]) -5.3Pred
BrC(C1CC1)[AsH2]18834210.934C4H8AsBr(bromo(cyclopropyl)methyl)arsaneN146BrC(C1CC1)[As]([H])([H])InChI=1S/C4H8AsBr/c5-4(6)3-1-2-3/h3-4H,1-2,5H2InChIKey=OWNVBYPQDFQSNE-UHFFFAOYSA-N160.1Ex 160.11(BP est) 5.31(MP est) ----(BP exp) ----(MP exp) BrC(C1CC1)[As]([H])([H]) 5.3Pred
BrC[AsH]C1CC118835210.934C4H8AsBr(bromomethyl)(cyclopropyl)arsaneN146BrC[As]([H])C1CC1InChI=1S/C4H8AsBr/c6-3-5-4-1-2-4/h4-5H,1-3H2InChIKey=YCDSJHWYPLHVCJ-UHFFFAOYSA-N171.0Ex 171.04(BP est) 7.82(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C1CC1 7.8Pred
C[As](C=C)CBr18836210.934C4H8AsBr(bromomethyl)(methyl)(vinyl)arsaneN146C[As](C=C)CBrInChI=1S/C4H8AsBr/c1-3-5(2)4-6/h3H,1,4H2,2H3InChIKey=GNZCSOOZWVNSNA-UHFFFAOYSA-N163.9Ex 163.85(BP est) -12.32(MP est) ----(BP exp) ----(MP exp) C[As](C=C)CBr -12.3Pred
BrC(C)[As]1CC118837210.934C4H8AsBr1-(1-bromoethyl)arsiraneN146BrC(C)[As]1CC1InChI=1S/C4H8AsBr/c1-4(6)5-2-3-5/h4H,2-3H2,1H3InChIKey=AKQKTQLURSRRLN-UHFFFAOYSA-N160.4Ex 160.40(BP est) -7.10(MP est) ----(BP exp) ----(MP exp) BrC(C)[As]1CC1 -7.1Pred
BrCC[As]1CC118838210.934C4H8AsBr1-(2-bromoethyl)arsiraneN146BrCC[As]1CC1InChI=1S/C4H8AsBr/c6-4-3-5-1-2-5/h1-4H2InChIKey=VVIYQGRUYHQXPN-UHFFFAOYSA-N173.3Ex 173.28(BP est) 4.16(MP est) ----(BP exp) ----(MP exp) BrCC[As]1CC1 4.2Pred
BrC[As]1CCC118839210.934C4H8AsBr1-(bromomethyl)arsetaneN146BrC[As]1CCC1InChI=1S/C4H8AsBr/c6-4-5-2-1-3-5/h1-4H2InChIKey=ODWAHTOBINKMTP-UHFFFAOYSA-N175.2Ex 175.21(BP est) 2.97(MP est) ----(BP exp) ----(MP exp) BrC[As]1CCC1 3Pred
BrC1[As](CC)C118840210.934C4H8AsBr2-bromo-1-ethylarsiraneN146BrC1[As](CC)C1InChI=1S/C4H8AsBr/c1-2-5-3-4(5)6/h4H,2-3H2,1H3InChIKey=BZCPHOVXWWSIMV-UHFFFAOYSA-N167.1Ex 167.13(BP est) 0.25(MP est) ----(BP exp) ----(MP exp) BrC1[As](CC)C1 0.3Pred
C[As]1CCC1Br18841210.934C4H8AsBr2-bromo-1-methylarsetaneN146C[As]1CCC1BrInChI=1S/C4H8AsBr/c1-5-3-2-4(5)6/h4H,2-3H2,1H3InChIKey=CGXUQCKPGSVWNU-UHFFFAOYSA-N169.1Ex 169.08(BP est) -0.94(MP est) ----(BP exp) ----(MP exp) C[As]1CCC1Br -0.9Pred
BrC1CCC[AsH]118842210.934C4H8AsBr2-bromoarsolaneN146BrC1CCC[As]([H])1InChI=1S/C4H8AsBr/c6-4-2-1-3-5-4/h4-5H,1-3H2InChIKey=NQADUBGGWQIDBG-UHFFFAOYSA-N173.0Ex 172.98(BP est) 6.62(MP est) ----(BP exp) ----(MP exp) BrC1CCC[As]([H])1 6.6Pred
C[As]1CC(Br)C118843210.934C4H8AsBr3-bromo-1-methylarsetaneN146C[As]1CC(Br)C1InChI=1S/C4H8AsBr/c1-5-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=RQPXSBJIFAXECX-UHFFFAOYSA-N169.1Ex 169.08(BP est) -0.94(MP est) ----(BP exp) ----(MP exp) C[As]1CC(Br)C1 -0.9Pred
BrC1C[AsH]CC118844210.934C4H8AsBr3-bromoarsolaneN146BrC1C[As]([H])CC1InChI=1S/C4H8AsBr/c6-4-1-2-5-3-4/h4-5H,1-3H2InChIKey=CREDOLGGUYXRKK-UHFFFAOYSA-N173.0Ex 172.98(BP est) 6.62(MP est) ----(BP exp) ----(MP exp) BrC1C[As]([H])CC1 6.6Pred
BrC[AsH]CC=C18845210.934C4H8AsBrallyl(bromomethyl)arsaneN146BrC[As]([H])CC=CInChI=1S/C4H8AsBr/c1-2-3-5-4-6/h2,5H,1,3-4H2InChIKey=ACVPCVYUDUIFFJ-UHFFFAOYSA-N165.8Ex 165.83(BP est) -3.56(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CC=C -3.6Pred
[AsH2]C(Br)(F)C#C18846212.881C3H3AsBrF(1-bromo-1-fluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(Br)(F)C#CInChI=1S/C3H3AsBrF/c1-2-3(4,5)6/h1H,4H2InChIKey=PHRUGRRNBYWNMX-UHFFFAOYSA-N135.4Ex 135.36(BP est) 15.97(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)C#C 16Pred
[AsH2]C(C#CF)Br18847212.881C3H3AsBrF(1-bromo-3-fluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CF)BrInChI=1S/C3H3AsBrF/c4-3(5)1-2-6/h3H,4H2InChIKey=JQTUIZSJRUBIKE-UHFFFAOYSA-N152.5Ex 152.53(BP est) 8.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CF)Br 8.6Pred
[AsH2]C(C#CBr)F18848212.881C3H3AsBrF(3-bromo-1-fluoroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CBr)FInChI=1S/C3H3AsBrF/c4-3(6)1-2-5/h3H,4H2InChIKey=YSMLBLNCYVZQDD-UHFFFAOYSA-N152.5Ex 152.53(BP est) 8.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CBr)F 8.6Pred
FC[AsH]C#CBr18849212.881C3H3AsBrF(bromoethynyl)(fluoromethyl)arsaneN96FC[As]([H])C#CBrInChI=1S/C3H3AsBrF/c5-2-1-4-3-6/h4H,3H2InChIKey=CXMZIYLZBXDHCZ-UHFFFAOYSA-N163.6Ex 163.62(BP est) 13.13(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C#CBr 13.1Pred
BrC(F)[AsH]C#C18850212.881C3H3AsBrF(bromofluoromethyl)(ethynyl)arsaneN96BrC(F)[As]([H])C#CInChI=1S/C3H3AsBrF/c1-2-4-3(5)6/h1,3-4HInChIKey=IRSNPTZDIODWBH-UHFFFAOYSA-N142.2Ex 142.20(BP est) 1.07(MP est) ----(BP exp) ----(MP exp) BrC(F)[As]([H])C#C 1.1Pred
BrC[AsH]C#CF18851212.881C3H3AsBrF(bromomethyl)(fluoroethynyl)arsaneN96BrC[As]([H])C#CFInChI=1S/C3H3AsBrF/c5-3-4-1-2-6/h4H,3H2InChIKey=RDULUKMAHODRMR-UHFFFAOYSA-N163.6Ex 163.62(BP est) 13.13(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C#CF 13.1Pred
BrC1(F)[AsH]C=C118852212.881C3H3AsBrF2-bromo-2-fluoro-1,2-dihydroarseteN96BrC1(F)[As]([H])C=C1InChI=1S/C3H3AsBrF/c5-3(6)1-2-4-3/h1-2,4HInChIKey=IWTCYQUEJDIFMX-UHFFFAOYSA-N142.8Ex 142.77(BP est) 6.55(MP est) ----(BP exp) ----(MP exp) BrC1(F)[As]([H])C=C1 6.6Pred
BrC1[AsH]C=C1F18853212.881C3H3AsBrF2-bromo-3-fluoro-1,2-dihydroarseteN96BrC1[As]([H])C=C1FInChI=1S/C3H3AsBrF/c5-3-2(6)1-4-3/h1,3-4HInChIKey=JFMAPRDHCSNOLF-UHFFFAOYSA-N152.6Ex 152.56(BP est) 3.72(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C=C1F 3.7Pred
BrC1[AsH]C(F)=C118854212.881C3H3AsBrF2-bromo-4-fluoro-1,2-dihydroarseteN96BrC1[As]([H])C(F)=C1InChI=1S/C3H3AsBrF/c5-2-1-3(6)4-2/h1-2,4HInChIKey=QSDRNWPSSJCPAM-UHFFFAOYSA-N152.6Ex 152.56(BP est) 3.72(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C(F)=C1 3.7Pred
FC1[AsH]C=C1Br18855212.881C3H3AsBrF3-bromo-2-fluoro-1,2-dihydroarseteN96FC1[As]([H])C=C1BrInChI=1S/C3H3AsBrF/c5-2-1-4-3(2)6/h1,3-4HInChIKey=XOPKJOIGNIVXRJ-UHFFFAOYSA-N152.6Ex 152.56(BP est) 3.72(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C=C1Br 3.7Pred
FC1=C(Br)C[AsH]118856212.881C3H3AsBrF3-bromo-4-fluoro-1,2-dihydroarseteN96FC1=C(Br)C[As]([H])1InChI=1S/C3H3AsBrF/c5-2-1-4-3(2)6/h4H,1H2InChIKey=PDMGFIMNVOJDHM-UHFFFAOYSA-N157.0Ex 157.02(BP est) 13.40(MP est) ----(BP exp) ----(MP exp) FC1=C(Br)C[As]([H])1 13.4Pred
FC1[AsH]C(Br)=C118857212.881C3H3AsBrF4-bromo-2-fluoro-1,2-dihydroarseteN96FC1[As]([H])C(Br)=C1InChI=1S/C3H3AsBrF/c5-2-1-3(6)4-2/h1,3-4HInChIKey=RCDIQJDSDKGHMU-UHFFFAOYSA-N152.6Ex 152.56(BP est) 3.72(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C(Br)=C1 3.7Pred
BrC1=C(F)C[AsH]118858212.881C3H3AsBrF4-bromo-3-fluoro-1,2-dihydroarseteN96BrC1=C(F)C[As]([H])1InChI=1S/C3H3AsBrF/c5-3-2(6)1-4-3/h4H,1H2InChIKey=HFFQJUPWDDMWMJ-UHFFFAOYSA-N157.0Ex 157.02(BP est) 13.40(MP est) ----(BP exp) ----(MP exp) BrC1=C(F)C[As]([H])1 13.4Pred
O[As](O)C(CC)Br18859230.921C3H8AsBrO2(1-bromopropyl)arsonous acidN157O[As](O)C(CC)BrInChI=1S/C3H8AsBrO2/c1-2-3(5)4(6)7/h3,6-7H,2H2,1H3InChIKey=XHRNQADAXNDBIC-UHFFFAOYSA-N298.6Ex 298.60(BP est) 75.59(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CC)Br 75.6Pred
O[As](O)CC(C)Br18860230.921C3H8AsBrO2(2-bromopropyl)arsonous acidN157O[As](O)CC(C)BrInChI=1S/C3H8AsBrO2/c1-3(5)2-4(6)7/h3,6-7H,2H2,1H3InChIKey=CFOHHBJJNTYRMB-UHFFFAOYSA-N298.6Ex 298.60(BP est) 75.59(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(C)Br 75.6Pred
O[As](O)CCCBr18861230.921C3H8AsBrO2(3-bromopropyl)arsonous acidN157O[As](O)CCCBrInChI=1S/C3H8AsBrO2/c5-3-1-2-4(6)7/h6-7H,1-3H2InChIKey=NZQRKALPTYFXFL-UHFFFAOYSA-N307.3Ex 307.34(BP est) 85.64(MP est) ----(BP exp) ----(MP exp) O[As](O)CCCBr 85.6Pred
O=[As]1(CBr)CC118862212.906C3H6AsBrO1-(bromomethyl)arsirane 1-oxideN126O=[As]1(CBr)CC1InChI=1S/C3H6AsBrO/c5-3-4(6)1-2-4/h1-3H2InChIKey=SIJZDCAOTXDBHR-UHFFFAOYSA-N178.3Ex 178.29(BP est) 22.71(MP est) ----(BP exp) ----(MP exp) O=[As]1(CBr)CC1 22.7Pred
O=[As]1(C)CC1Br18863212.906C3H6AsBrO2-bromo-1-methylarsirane 1-oxideN126O=[As]1(C)CC1BrInChI=1S/C3H6AsBrO/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=CAODOZPZCPFCKN-UHFFFAOYSA-N172.2Ex 172.20(BP est) 18.99(MP est) ----(BP exp) ----(MP exp) O=[As]1(C)CC1Br 19Pred
CC([AsH2])(C)CBr18864212.95C4H10AsBr(1-bromo-2-methylpropan-2-yl)arsaneN166CC([As]([H])([H]))(C)CBrInChI=1S/C4H10AsBr/c1-4(2,5)3-6/h3,5H2,1-2H3InChIKey=DPUZAOZUAXVIPQ-UHFFFAOYSA-N147.7Ex 147.71(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) CC([As]([H])([H]))(C)CBr 1.4Pred
CC(C)C(Br)[AsH2]18865212.95C4H10AsBr(1-bromo-2-methylpropyl)arsaneN166CC(C)C(Br)[As]([H])([H])InChI=1S/C4H10AsBr/c1-3(2)4(5)6/h3-4H,5H2,1-2H3InChIKey=JJPNXZGBBJCYJY-UHFFFAOYSA-N143.1Ex 143.11(BP est) -16.12(MP est) ----(BP exp) ----(MP exp) CC(C)C(Br)[As]([H])([H]) -16.1Pred
BrCC(CC)[AsH2]18866212.95C4H10AsBr(1-bromobutan-2-yl)arsaneN166BrCC(CC)[As]([H])([H])InChI=1S/C4H10AsBr/c1-2-4(5)3-6/h4H,2-3,5H2,1H3InChIKey=KJDVPBKQLUHPOI-UHFFFAOYSA-N156.4Ex 156.42(BP est) -4.74(MP est) ----(BP exp) ----(MP exp) BrCC(CC)[As]([H])([H]) -4.7Pred
BrC(CCC)[AsH2]18867212.95C4H10AsBr(1-bromobutyl)arsaneN166BrC(CCC)[As]([H])([H])InChI=1S/C4H10AsBr/c1-2-3-4(5)6/h4H,2-3,5H2,1H3InChIKey=GGIIPSLRPZCCER-UHFFFAOYSA-N156.4Ex 156.42(BP est) -4.74(MP est) ----(BP exp) ----(MP exp) BrC(CCC)[As]([H])([H]) -4.7Pred
CC[AsH]C(Br)C18868212.95C4H10AsBr(1-bromoethyl)(ethyl)arsaneN166CC[As]([H])C(Br)CInChI=1S/C4H10AsBr/c1-3-5-4(2)6/h4-5H,3H2,1-2H3InChIKey=DIELCJMNGKLDHP-UHFFFAOYSA-N154.4Ex 154.40(BP est) -13.51(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(Br)C -13.5Pred
C[As](C)C(Br)C18869212.95C4H10AsBr(1-bromoethyl)dimethylarsaneN166C[As](C)C(Br)CInChI=1S/C4H10AsBr/c1-4(6)5(2)3/h4H,1-3H3InChIKey=OIJJTUMWIVIEDV-UHFFFAOYSA-N152.4Ex 152.37(BP est) -22.29(MP est) ----(BP exp) ----(MP exp) C[As](C)C(Br)C -22.3Pred
C[AsH]C(C)CBr18870212.95C4H10AsBr(1-bromopropan-2-yl)(methyl)arsaneN166C[As]([H])C(C)CBrInChI=1S/C4H10AsBr/c1-4(3-6)5-2/h4-5H,3H2,1-2H3InChIKey=YVDFLKQXMJOXNV-UHFFFAOYSA-N154.4Ex 154.40(BP est) -13.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)CBr -13.5Pred
C[AsH]C(Br)CC18871212.95C4H10AsBr(1-bromopropyl)(methyl)arsaneN166C[As]([H])C(Br)CCInChI=1S/C4H10AsBr/c1-3-4(6)5-2/h4-5H,3H2,1-2H3InChIKey=LZUAZJDNMCYNMW-UHFFFAOYSA-N154.4Ex 154.40(BP est) -13.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)CC -13.5Pred
BrC(C[AsH2])(C)C18872212.95C4H10AsBr(2-bromo-2-methylpropyl)arsaneN166BrC(C[As]([H])([H]))(C)CInChI=1S/C4H10AsBr/c1-4(2,6)3-5/h3,5H2,1-2H3InChIKey=KBZJAFLIXFCZCS-UHFFFAOYSA-N147.7Ex 147.71(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) BrC(C[As]([H])([H]))(C)C 1.4Pred
BrC([AsH2])(C)CC18873212.95C4H10AsBr(2-bromobutan-2-yl)arsaneN166BrC([As]([H])([H]))(C)CCInChI=1S/C4H10AsBr/c1-3-4(2,5)6/h3,5H2,1-2H3InChIKey=LFIJYCHZHQHFIZ-UHFFFAOYSA-N147.7Ex 147.71(BP est) 1.43(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(C)CC 1.4Pred
BrC(C[AsH2])CC18874212.95C4H10AsBr(2-bromobutyl)arsaneN166BrC(C[As]([H])([H]))CCInChI=1S/C4H10AsBr/c1-2-4(6)3-5/h4H,2-3,5H2,1H3InChIKey=AZIHAAAOEMIJQF-UHFFFAOYSA-N156.4Ex 156.42(BP est) -4.74(MP est) ----(BP exp) ----(MP exp) BrC(C[As]([H])([H]))CC -4.7Pred
CC[AsH]CCBr18875212.95C4H10AsBr(2-bromoethyl)(ethyl)arsaneN166CC[As]([H])CCBrInChI=1S/C4H10AsBr/c1-2-5-3-4-6/h5H,2-4H2,1H3InChIKey=YOXVCFFAEGSFPK-UHFFFAOYSA-N167.4Ex 167.43(BP est) -2.21(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CCBr -2.2Pred
C[As](C)CCBr18876212.95C4H10AsBr(2-bromoethyl)dimethylarsaneN166C[As](C)CCBrInChI=1S/C4H10AsBr/c1-5(2)3-4-6/h3-4H2,1-2H3InChIKey=XUHVSZIKXSILCX-UHFFFAOYSA-N165.5Ex 165.45(BP est) -10.97(MP est) ----(BP exp) ----(MP exp) C[As](C)CCBr -11Pred
C[AsH]C(C)(Br)C18877212.95C4H10AsBr(2-bromopropan-2-yl)(methyl)arsaneN166C[As]([H])C(C)(Br)CInChI=1S/C4H10AsBr/c1-4(2,6)5-3/h5H,1-3H3InChIKey=PIXCZRKNLFKVSG-UHFFFAOYSA-N145.7Ex 145.65(BP est) -7.36(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)(Br)C -7.4Pred
C[AsH]CC(Br)C18878212.95C4H10AsBr(2-bromopropyl)(methyl)arsaneN166C[As]([H])CC(Br)CInChI=1S/C4H10AsBr/c1-4(6)3-5-2/h4-5H,3H2,1-2H3InChIKey=HWQVQYDIRCBTAB-UHFFFAOYSA-N154.4Ex 154.40(BP est) -13.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(Br)C -13.5Pred
CC(CBr)C[AsH2]18879212.95C4H10AsBr(3-bromo-2-methylpropyl)arsaneN166CC(CBr)C[As]([H])([H])InChI=1S/C4H10AsBr/c1-4(2-5)3-6/h4H,2-3,5H2,1H3InChIKey=UINSATZZLYQFJI-UHFFFAOYSA-N156.4Ex 156.42(BP est) -4.74(MP est) ----(BP exp) ----(MP exp) CC(CBr)C[As]([H])([H]) -4.7Pred
CC(C(Br)C)[AsH2]18880212.95C4H10AsBr(3-bromobutan-2-yl)arsaneN166CC(C(Br)C)[As]([H])([H])InChI=1S/C4H10AsBr/c1-3(5)4(2)6/h3-4H,5H2,1-2H3InChIKey=BTKSZKUIIYUEDT-UHFFFAOYSA-N143.1Ex 143.11(BP est) -16.12(MP est) ----(BP exp) ----(MP exp) CC(C(Br)C)[As]([H])([H]) -16.1Pred
BrC(CC[AsH2])C18881212.95C4H10AsBr(3-bromobutyl)arsaneN166BrC(CC[As]([H])([H]))CInChI=1S/C4H10AsBr/c1-4(6)2-3-5/h4H,2-3,5H2,1H3InChIKey=HKLWRBFRANKVEG-UHFFFAOYSA-N156.4Ex 156.42(BP est) -4.74(MP est) ----(BP exp) ----(MP exp) BrC(CC[As]([H])([H]))C -4.7Pred
C[AsH]CCCBr18882212.95C4H10AsBr(3-bromopropyl)(methyl)arsaneN166C[As]([H])CCCBrInChI=1S/C4H10AsBr/c1-5-3-2-4-6/h5H,2-4H2,1H3InChIKey=XHGNXJHRNFTLCW-UHFFFAOYSA-N167.4Ex 167.43(BP est) -2.21(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCCBr -2.2Pred
CC(CCBr)[AsH2]18883212.95C4H10AsBr(4-bromobutan-2-yl)arsaneN166CC(CCBr)[As]([H])([H])InChI=1S/C4H10AsBr/c1-4(5)2-3-6/h4H,2-3,5H2,1H3InChIKey=CUEOBIWNWKXLKE-UHFFFAOYSA-N156.4Ex 156.42(BP est) -4.74(MP est) ----(BP exp) ----(MP exp) CC(CCBr)[As]([H])([H]) -4.7Pred
BrCCCC[AsH2]18884212.95C4H10AsBr(4-bromobutyl)arsaneN166BrCCCC[As]([H])([H])InChI=1S/C4H10AsBr/c5-3-1-2-4-6/h1-5H2InChIKey=XQQYJCOLBUTCIL-UHFFFAOYSA-N169.4Ex 169.40(BP est) 6.55(MP est) ----(BP exp) ----(MP exp) BrCCCC[As]([H])([H]) 6.6Pred
C[As](CBr)CC18885212.95C4H10AsBr(bromomethyl)(ethyl)(methyl)arsaneN166C[As](CBr)CCInChI=1S/C4H10AsBr/c1-3-5(2)4-6/h3-4H2,1-2H3InChIKey=FPXXSNZMRZNZOF-UHFFFAOYSA-N165.5Ex 165.45(BP est) -10.97(MP est) ----(BP exp) ----(MP exp) C[As](CBr)CC -11Pred
BrC[AsH]C(C)C18886212.95C4H10AsBr(bromomethyl)(isopropyl)arsaneN166BrC[As]([H])C(C)CInChI=1S/C4H10AsBr/c1-4(2)5-3-6/h4-5H,3H2,1-2H3InChIKey=WQSGAFHTKGGFQB-UHFFFAOYSA-N154.4Ex 154.40(BP est) -13.51(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(C)C -13.5Pred
BrC[AsH]CCC18887212.95C4H10AsBr(bromomethyl)(propyl)arsaneN166BrC[As]([H])CCCInChI=1S/C4H10AsBr/c1-2-3-5-4-6/h5H,2-4H2,1H3InChIKey=AYKBZULAWRPECA-UHFFFAOYSA-N167.4Ex 167.43(BP est) -2.21(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CCC -2.2Pred
O[As](O)C(Br)=CF18888232.868C2H3AsBrFO2(1-bromo-2-fluorovinyl)arsonous acidN107O[As](O)C(Br)=CFInChI=1S/C2H3AsBrFO2/c4-2(1-5)3(6)7/h1,6-7HInChIKey=BGFKFCRNXZSKSH-UHFFFAOYSA-N294.7Ex 294.66(BP est) 67.08(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)=CF 67.1Pred
O[As](O)C(F)=CBr18889232.868C2H3AsBrFO2(2-bromo-1-fluorovinyl)arsonous acidN107O[As](O)C(F)=CBrInChI=1S/C2H3AsBrFO2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=PVQVNONQBOVCHN-UHFFFAOYSA-N294.7Ex 294.66(BP est) 67.08(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)=CBr 67.1Pred
O[As](O)C=C(F)Br18890232.868C2H3AsBrFO2(2-bromo-2-fluorovinyl)arsonous acidN107O[As](O)C=C(F)BrInChI=1S/C2H3AsBrFO2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=OMZHRSCDUMAVOD-UHFFFAOYSA-N294.7Ex 294.66(BP est) 67.08(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(F)Br 67.1Pred
O=[As]1(O)CC1Br18891214.878C2H4AsBrO22-bromo-1-hydroxyarsirane 1-oxideN106O=[As]1(O)CC1BrInChI=1S/C2H4AsBrO2/c4-2-1-3(2,5)6/h2H,1H2,(H,5,6)InChIKey=DPHQUPBTJNRDLH-UHFFFAOYSA-N240.3Ex 240.28(BP est) 61.19(MP est) ----(BP exp) ----(MP exp) O=[As]1(O)CC1Br 61.2Pred
[AsH2]C(Br)(F)C=C18892214.897C3H5AsBrF(1-bromo-1-fluoroallyl)arsaneN116[As]([H])([H])C(Br)(F)C=CInChI=1S/C3H5AsBrF/c1-2-3(4,5)6/h2H,1,4H2InChIKey=ALFOCPJQNQKBMW-UHFFFAOYSA-N125.6Ex 125.63(BP est) -11.24(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)C=C -11.2Pred
[AsH2]C(C(F)=C)Br18893214.897C3H5AsBrF(1-bromo-2-fluoroallyl)arsaneN116[As]([H])([H])C(C(F)=C)BrInChI=1S/C3H5AsBrF/c1-2(6)3(4)5/h3H,1,4H2InChIKey=GIKLZMCCGNROEO-UHFFFAOYSA-N128.5Ex 128.47(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)=C)Br -26.1Pred
C[AsH]C(Br)=CF18894214.897C3H5AsBrF(1-bromo-2-fluorovinyl)(methyl)arsaneN116C[As]([H])C(Br)=CFInChI=1S/C3H5AsBrF/c1-4-3(5)2-6/h2,4H,1H3InChIKey=NEAPTKRHRHGVKI-UHFFFAOYSA-N148.6Ex 148.59(BP est) -22.57(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)=CF -22.6Pred
[AsH2]C(C=CF)Br18895214.897C3H5AsBrF(1-bromo-3-fluoroallyl)arsaneN116[As]([H])([H])C(C=CF)BrInChI=1S/C3H5AsBrF/c4-3(5)1-2-6/h1-3H,4H2InChIKey=CARWJTSBDXXQPU-UHFFFAOYSA-N143.3Ex 143.31(BP est) -16.45(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CF)Br -16.5Pred
FC[AsH]C(Br)=C18896214.897C3H5AsBrF(1-bromovinyl)(fluoromethyl)arsaneN116FC[As]([H])C(Br)=CInChI=1S/C3H5AsBrF/c1-3(5)4-2-6/h4H,1-2H2InChIKey=WVNPVDDZJQPNOR-UHFFFAOYSA-N140.1Ex 140.05(BP est) -23.40(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(Br)=C -23.4Pred
[AsH2]C(C(Br)=C)F18897214.897C3H5AsBrF(2-bromo-1-fluoroallyl)arsaneN116[As]([H])([H])C(C(Br)=C)FInChI=1S/C3H5AsBrF/c1-2(5)3(4)6/h3H,1,4H2InChIKey=AJYMATGUGUQZTK-UHFFFAOYSA-N128.5Ex 128.47(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)=C)F -26.1Pred
C[AsH]C(F)=CBr18898214.897C3H5AsBrF(2-bromo-1-fluorovinyl)(methyl)arsaneN116C[As]([H])C(F)=CBrInChI=1S/C3H5AsBrF/c1-4-3(6)2-5/h2,4H,1H3InChIKey=HXSCHPKTEDZEEM-UHFFFAOYSA-N148.6Ex 148.59(BP est) -22.57(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)=CBr -22.6Pred
C[AsH]C=C(F)Br18899214.897C3H5AsBrF(2-bromo-2-fluorovinyl)(methyl)arsaneN116C[As]([H])C=C(F)BrInChI=1S/C3H5AsBrF/c1-4-2-3(5)6/h2,4H,1H3InChIKey=VXOGIARYIZUNEX-UHFFFAOYSA-N148.6Ex 148.59(BP est) -22.57(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(F)Br -22.6Pred
[AsH2]CC(Br)=CF18900214.897C3H5AsBrF(2-bromo-3-fluoroallyl)arsaneN116[As]([H])([H])CC(Br)=CFInChI=1S/C3H5AsBrF/c4-1-3(5)2-6/h2H,1,4H2InChIKey=YTWUILJEJKAPKO-UHFFFAOYSA-N150.6Ex 150.63(BP est) -13.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)=CF -13.8Pred
FC[AsH]C=CBr18901214.897C3H5AsBrF(2-bromovinyl)(fluoromethyl)arsaneN116FC[As]([H])C=CBrInChI=1S/C3H5AsBrF/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=UQKVNKFDKFTKTJ-UHFFFAOYSA-N154.6Ex 154.59(BP est) -13.84(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C=CBr -13.8Pred
[AsH2]C(C=CBr)F18902214.897C3H5AsBrF(3-bromo-1-fluoroallyl)arsaneN116[As]([H])([H])C(C=CBr)FInChI=1S/C3H5AsBrF/c4-3(6)1-2-5/h1-3H,4H2InChIKey=DAWNLESNDSVQMV-UHFFFAOYSA-N143.3Ex 143.31(BP est) -16.45(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CBr)F -16.5Pred
[AsH2]CC(F)=CBr18903214.897C3H5AsBrF(3-bromo-2-fluoroallyl)arsaneN116[As]([H])([H])CC(F)=CBrInChI=1S/C3H5AsBrF/c4-1-3(6)2-5/h2H,1,4H2InChIKey=CSVQXYAFZRMIKZ-UHFFFAOYSA-N150.6Ex 150.63(BP est) -13.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)=CBr -13.8Pred
[AsH2]CC=C(F)Br18904214.897C3H5AsBrF(3-bromo-3-fluoroallyl)arsaneN116[As]([H])([H])CC=C(F)BrInChI=1S/C3H5AsBrF/c4-2-1-3(5)6/h1H,2,4H2InChIKey=NXJZCKGUTRIWJS-UHFFFAOYSA-N150.6Ex 150.63(BP est) -13.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(F)Br -13.8Pred
BrC(F)[AsH]C=C18905214.897C3H5AsBrF(bromofluoromethyl)(vinyl)arsaneN116BrC(F)[As]([H])C=CInChI=1S/C3H5AsBrF/c1-2-4-3(5)6/h2-4H,1H2InChIKey=RQENETWQHUNFMB-UHFFFAOYSA-N132.6Ex 132.59(BP est) -26.10(MP est) ----(BP exp) ----(MP exp) BrC(F)[As]([H])C=C -26.1Pred
BrC[AsH]C(F)=C18906214.897C3H5AsBrF(bromomethyl)(1-fluorovinyl)arsaneN116BrC[As]([H])C(F)=CInChI=1S/C3H5AsBrF/c1-3(6)4-2-5/h4H,1-2H2InChIKey=SPRIHPOLXDMIFW-UHFFFAOYSA-N140.1Ex 140.05(BP est) -23.40(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(F)=C -23.4Pred
BrC[AsH]C=CF18907214.897C3H5AsBrF(bromomethyl)(2-fluorovinyl)arsaneN116BrC[As]([H])C=CFInChI=1S/C3H5AsBrF/c5-3-4-1-2-6/h1-2,4H,3H2InChIKey=CDRGQTJUDMVLOK-UHFFFAOYSA-N154.6Ex 154.59(BP est) -13.84(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C=CF -13.8Pred
BrC(F)[As]1CC118908214.897C3H5AsBrF1-(bromofluoromethyl)arsiraneN116BrC(F)[As]1CC1InChI=1S/C3H5AsBrF/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=XINQVKKVFOGKPQ-UHFFFAOYSA-N140.5Ex 140.52(BP est) -18.24(MP est) ----(BP exp) ----(MP exp) BrC(F)[As]1CC1 -18.2Pred
BrC[As]1CC1F18909214.897C3H5AsBrF1-(bromomethyl)-2-fluoroarsiraneN116BrC[As]1CC1FInChI=1S/C3H5AsBrF/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=YOFYSFNQUKUNMI-UHFFFAOYSA-N147.5Ex 147.50(BP est) -10.82(MP est) ----(BP exp) ----(MP exp) BrC[As]1CC1F -10.8Pred
FC[As]1CC1Br18910214.897C3H5AsBrF2-bromo-1-(fluoromethyl)arsiraneN116FC[As]1CC1BrInChI=1S/C3H5AsBrF/c5-3-1-4(3)2-6/h3H,1-2H2InChIKey=RSNCJLOHMNCACK-UHFFFAOYSA-N147.5Ex 147.50(BP est) -10.82(MP est) ----(BP exp) ----(MP exp) FC[As]1CC1Br -10.8Pred
C[As]1CC1(Br)F18911214.897C3H5AsBrF2-bromo-2-fluoro-1-methylarsiraneN116C[As]1CC1(Br)FInChI=1S/C3H5AsBrF/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=WGPHHJQBDXOCDY-UHFFFAOYSA-N135.7Ex 135.67(BP est) -2.33(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(Br)F -2.3Pred
BrC1(F)[AsH]CC118912214.897C3H5AsBrF2-bromo-2-fluoroarsetaneN116BrC1(F)[As]([H])CC1InChI=1S/C3H5AsBrF/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=DPWLFXGYNKSARZ-UHFFFAOYSA-N139.8Ex 139.83(BP est) 5.31(MP est) ----(BP exp) ----(MP exp) BrC1(F)[As]([H])CC1 5.3Pred
C[As]1C(Br)C1F18913214.897C3H5AsBrF2-bromo-3-fluoro-1-methylarsiraneN116C[As]1C(Br)C1FInChI=1S/C3H5AsBrF/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=GBUASHQBRQDTGY-UHFFFAOYSA-N141.0Ex 141.03(BP est) -14.83(MP est) ----(BP exp) ----(MP exp) C[As]1C(Br)C1F -14.8Pred
BrC1[AsH]CC1F18914214.897C3H5AsBrF2-bromo-3-fluoroarsetaneN116BrC1[As]([H])CC1FInChI=1S/C3H5AsBrF/c5-3-2(6)1-4-3/h2-4H,1H2InChIKey=BIPFPIWFEZFVOM-UHFFFAOYSA-N145.2Ex 145.15(BP est) -7.20(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])CC1F -7.2Pred
BrC1[AsH]C(F)C118915214.897C3H5AsBrF2-bromo-4-fluoroarsetaneN116BrC1[As]([H])C(F)C1InChI=1S/C3H5AsBrF/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=PZPJKFPCEVMZHG-UHFFFAOYSA-N145.2Ex 145.15(BP est) -7.20(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C(F)C1 -7.2Pred
FC1[AsH]CC1Br18916214.897C3H5AsBrF3-bromo-2-fluoroarsetaneN116FC1[As]([H])CC1BrInChI=1S/C3H5AsBrF/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=QEJNZOSGKGOQMR-UHFFFAOYSA-N145.2Ex 145.15(BP est) -7.20(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])CC1Br -7.2Pred
BrC1(F)C[AsH]C118917214.897C3H5AsBrF3-bromo-3-fluoroarsetaneN116BrC1(F)C[As]([H])C1InChI=1S/C3H5AsBrF/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=ZMSIMQHUJYJPAN-UHFFFAOYSA-N139.8Ex 139.83(BP est) 5.31(MP est) ----(BP exp) ----(MP exp) BrC1(F)C[As]([H])C1 5.3Pred
O=[As](C)(C)CBr18918214.922C3H8AsBrO(bromomethyl)dimethylarsine oxideN146O=[As](C)(C)CBrInChI=1S/C3H8AsBrO/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=WRKJYJUKFDHEIE-UHFFFAOYSA-N170.5Ex 170.54(BP est) 12.90(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)CBr 12.9Pred
O[As](O)C(Br)(F)C18919234.884C2H5AsBrFO2(1-bromo-1-fluoroethyl)arsonous acidN127O[As](O)C(Br)(F)CInChI=1S/C2H5AsBrFO2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=XJPWUBRSHDOJPH-UHFFFAOYSA-N278.7Ex 278.66(BP est) 65.10(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(F)C 65.1Pred
O[As](O)C(CF)Br18920234.884C2H5AsBrFO2(1-bromo-2-fluoroethyl)arsonous acidN127O[As](O)C(CF)BrInChI=1S/C2H5AsBrFO2/c4-2(1-5)3(6)7/h2,6-7H,1H2InChIKey=VYQWKJSMNRNXAP-UHFFFAOYSA-N284.9Ex 284.91(BP est) 66.25(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CF)Br 66.3Pred
O[As](O)C(CBr)F18921234.884C2H5AsBrFO2(2-bromo-1-fluoroethyl)arsonous acidN127O[As](O)C(CBr)FInChI=1S/C2H5AsBrFO2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=XEQQCUWOMLORTQ-UHFFFAOYSA-N284.9Ex 284.91(BP est) 66.25(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CBr)F 66.3Pred
O[As](O)CC(F)Br18922234.884C2H5AsBrFO2(2-bromo-2-fluoroethyl)arsonous acidN127O[As](O)CC(F)BrInChI=1S/C2H5AsBrFO2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=RGMKDWBPPVNJHC-UHFFFAOYSA-N284.9Ex 284.91(BP est) 66.25(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(F)Br 66.3Pred
O=[As](C)(CBr)O18923216.894C2H6AsBrO2(bromomethyl)(methyl)arsinic acidN126O=[As](C)(CBr)OInChI=1S/C2H6AsBrO2/c1-3(5,6)2-4/h2H2,1H3,(H,5,6)InChIKey=KTYJFEFIXKXDCT-UHFFFAOYSA-N238.9Ex 238.87(BP est) 55.21(MP est) ----(BP exp) ----(MP exp) O=[As](C)(CBr)O 55.2Pred
C[AsH]C(Br)(F)C18924216.913C3H7AsBrF(1-bromo-1-fluoroethyl)(methyl)arsaneN136C[As]([H])C(Br)(F)CInChI=1S/C3H7AsBrF/c1-3(5,6)4-2/h4H,1-2H3InChIKey=IUVZWQCAULZAFY-UHFFFAOYSA-N125.2Ex 125.22(BP est) -18.66(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(F)C -18.7Pred
[AsH2]C(Br)(F)CC18925216.913C3H7AsBrF(1-bromo-1-fluoropropyl)arsaneN136[As]([H])([H])C(Br)(F)CCInChI=1S/C3H7AsBrF/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=BDXBXBZYKJJYQZ-UHFFFAOYSA-N127.4Ex 127.35(BP est) -9.86(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)CC -9.9Pred
C[AsH]C(CF)Br18926216.913C3H7AsBrF(1-bromo-2-fluoroethyl)(methyl)arsaneN136C[As]([H])C(CF)BrInChI=1S/C3H7AsBrF/c1-4-3(5)2-6/h3-4H,2H2,1H3InChIKey=RXHFPYITDDSOHZ-UHFFFAOYSA-N134.3Ex 134.29(BP est) -24.73(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CF)Br -24.7Pred
[AsH2]C(C(C)F)Br18927216.913C3H7AsBrF(1-bromo-2-fluoropropyl)arsaneN136[As]([H])([H])C(C(C)F)BrInChI=1S/C3H7AsBrF/c1-2(6)3(4)5/h2-3H,4H2,1H3InChIKey=ASJOSDGWODPQKI-UHFFFAOYSA-N122.6Ex 122.59(BP est) -27.46(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)F)Br -27.5Pred
[AsH2]C(CCF)Br18928216.913C3H7AsBrF(1-bromo-3-fluoropropyl)arsaneN136[As]([H])([H])C(CCF)BrInChI=1S/C3H7AsBrF/c4-3(5)1-2-6/h3H,1-2,4H2InChIKey=WHCVCPRPZRQHMT-UHFFFAOYSA-N136.4Ex 136.38(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCF)Br -15.9Pred
FC[AsH]C(C)Br18929216.913C3H7AsBrF(1-bromoethyl)(fluoromethyl)arsaneN136FC[As]([H])C(C)BrInChI=1S/C3H7AsBrF/c1-3(5)4-2-6/h3-4H,2H2,1H3InChIKey=FCIVNQDXRPWJHD-UHFFFAOYSA-N134.3Ex 134.29(BP est) -24.73(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(C)Br -24.7Pred
C[AsH]C(CBr)F18930216.913C3H7AsBrF(2-bromo-1-fluoroethyl)(methyl)arsaneN136C[As]([H])C(CBr)FInChI=1S/C3H7AsBrF/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=VYFBWFGSIMJQEY-UHFFFAOYSA-N134.3Ex 134.29(BP est) -24.73(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CBr)F -24.7Pred
[AsH2]C(C(C)Br)F18931216.913C3H7AsBrF(2-bromo-1-fluoropropyl)arsaneN136[As]([H])([H])C(C(C)Br)FInChI=1S/C3H7AsBrF/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=QYBCCMPVFLXOCW-UHFFFAOYSA-N122.6Ex 122.59(BP est) -27.46(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)Br)F -27.5Pred
C[AsH]CC(F)Br18932216.913C3H7AsBrF(2-bromo-2-fluoroethyl)(methyl)arsaneN136C[As]([H])CC(F)BrInChI=1S/C3H7AsBrF/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=RTFFIWATVMFDCM-UHFFFAOYSA-N134.3Ex 134.29(BP est) -24.73(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(F)Br -24.7Pred
[AsH2]CC(Br)(F)C18933216.913C3H7AsBrF(2-bromo-2-fluoropropyl)arsaneN136[As]([H])([H])CC(Br)(F)CInChI=1S/C3H7AsBrF/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=IOLWIHJRHCDXEG-UHFFFAOYSA-N127.4Ex 127.35(BP est) -9.86(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(F)C -9.9Pred
[AsH2]CC(CF)Br18934216.913C3H7AsBrF(2-bromo-3-fluoropropyl)arsaneN136[As]([H])([H])CC(CF)BrInChI=1S/C3H7AsBrF/c4-1-3(5)2-6/h3H,1-2,4H2InChIKey=LTXYFSCRVYGYKS-UHFFFAOYSA-N136.4Ex 136.38(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CF)Br -15.9Pred
FC[AsH]CCBr18935216.913C3H7AsBrF(2-bromoethyl)(fluoromethyl)arsaneN136FC[As]([H])CCBrInChI=1S/C3H7AsBrF/c5-2-1-4-3-6/h4H,1-3H2InChIKey=UOTCRHPMTZJQOD-UHFFFAOYSA-N147.8Ex 147.81(BP est) -13.28(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CCBr -13.3Pred
[AsH2]C(CCBr)F18936216.913C3H7AsBrF(3-bromo-1-fluoropropyl)arsaneN136[As]([H])([H])C(CCBr)FInChI=1S/C3H7AsBrF/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=CVRQGWRYOUNLCC-UHFFFAOYSA-N136.4Ex 136.38(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCBr)F -15.9Pred
[AsH2]CC(CBr)F18937216.913C3H7AsBrF(3-bromo-2-fluoropropyl)arsaneN136[As]([H])([H])CC(CBr)FInChI=1S/C3H7AsBrF/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=VHKISGLLZYSECV-UHFFFAOYSA-N136.4Ex 136.38(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CBr)F -15.9Pred
[AsH2]CCC(F)Br18938216.913C3H7AsBrF(3-bromo-3-fluoropropyl)arsaneN136[As]([H])([H])CCC(F)BrInChI=1S/C3H7AsBrF/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=CERBDBAPRZRFSM-UHFFFAOYSA-N136.4Ex 136.38(BP est) -15.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(F)Br -15.9Pred
BrC(F)[AsH]CC18939216.913C3H7AsBrF(bromofluoromethyl)(ethyl)arsaneN136BrC(F)[As]([H])CCInChI=1S/C3H7AsBrF/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=LRBFAAIGNOKTLA-UHFFFAOYSA-N134.3Ex 134.29(BP est) -24.73(MP est) ----(BP exp) ----(MP exp) BrC(F)[As]([H])CC -24.7Pred
C[As](C(F)Br)C18940216.913C3H7AsBrF(bromofluoromethyl)dimethylarsaneN136C[As](C(F)Br)CInChI=1S/C3H7AsBrF/c1-4(2)3(5)6/h3H,1-2H3InChIKey=XXEVPGSJXBIIQE-UHFFFAOYSA-N132.2Ex 132.19(BP est) -33.52(MP est) ----(BP exp) ----(MP exp) C[As](C(F)Br)C -33.5Pred
BrC[AsH]C(C)F18941216.913C3H7AsBrF(bromomethyl)(1-fluoroethyl)arsaneN136BrC[As]([H])C(C)FInChI=1S/C3H7AsBrF/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=DZGPFGWFIUXPSP-UHFFFAOYSA-N134.3Ex 134.29(BP est) -24.73(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(C)F -24.7Pred
BrC[AsH]CCF18942216.913C3H7AsBrF(bromomethyl)(2-fluoroethyl)arsaneN136BrC[As]([H])CCFInChI=1S/C3H7AsBrF/c5-3-4-1-2-6/h4H,1-3H2InChIKey=AOUAJKOFNLLBOL-UHFFFAOYSA-N147.8Ex 147.81(BP est) -13.28(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CCF -13.3Pred
C[As](CF)CBr18943216.913C3H7AsBrF(bromomethyl)(fluoromethyl)(methyl)arsaneN136C[As](CF)CBrInChI=1S/C3H7AsBrF/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=WLKKSGCALXQHCF-UHFFFAOYSA-N145.8Ex 145.76(BP est) -22.06(MP est) ----(BP exp) ----(MP exp) C[As](CF)CBr -22.1Pred
[AsH2]C(Br)=CCl18944217.322C2H3AsBrCl(1-bromo-2-chlorovinyl)arsaneN85[As]([H])([H])C(Br)=CClInChI=1S/C2H3AsBrCl/c3-2(4)1-5/h1H,3H2InChIKey=PSWMACROPWVBFC-UHFFFAOYSA-N159.4Ex 159.41(BP est) -2.20(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=CCl -2.2Pred
[AsH2]C(Cl)=CBr18945217.322C2H3AsBrCl(2-bromo-1-chlorovinyl)arsaneN85[As]([H])([H])C(Cl)=CBrInChI=1S/C2H3AsBrCl/c3-2(5)1-4/h1H,3H2InChIKey=IQKONGQAMCVTEO-UHFFFAOYSA-N159.4Ex 159.41(BP est) -2.20(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=CBr -2.2Pred
[AsH2]C=C(Cl)Br18946217.322C2H3AsBrCl(2-bromo-2-chlorovinyl)arsaneN85[As]([H])([H])C=C(Cl)BrInChI=1S/C2H3AsBrCl/c3-1-2(4)5/h1H,3H2InChIKey=JEUKCNZWRZHIAR-UHFFFAOYSA-N159.4Ex 159.41(BP est) -2.20(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(Cl)Br -2.2Pred
BrC1(Cl)[AsH]C118947217.322C2H3AsBrCl2-bromo-2-chloroarsiraneN85BrC1(Cl)[As]([H])C1InChI=1S/C2H3AsBrCl/c4-2(5)1-3-2/h3H,1H2InChIKey=QVGACJKTFBYELB-UHFFFAOYSA-N148.7Ex 148.72(BP est) 18.70(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)[As]([H])C1 18.7Pred
ClC1[AsH]C1Br18948217.322C2H3AsBrCl2-bromo-3-chloroarsiraneN85ClC1[As]([H])C1BrInChI=1S/C2H3AsBrCl/c4-1-2(5)3-1/h1-3HInChIKey=XZZJGOHXUSWTKO-UHFFFAOYSA-N165.7Ex 165.74(BP est) 9.60(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1Br 9.6Pred
IC[AsH2]18949217.869CH4AsI(iodomethyl)arsaneN73IC[As]([H])([H])InChI=1S/CH4AsI/c2-1-3/h1-2H2InChIKey=LRZBAGXHMLKKDN-UHFFFAOYSA-N135.6Ex 135.62(BP est) -21.09(MP est) ----(BP exp) ----(MP exp) IC[As]([H])([H]) -21.1Pred
F[As](N=C=[Se])F18950217.896CAsF2NSedifluoro(isoselenocyanato)arsaneN66F[As](N=C=[Se])FInChI=1S/CAsF2NSe/c3-2(4)5-1-6InChIKey=RXNDLMKVWWVEAM-UHFFFAOYSA-N148.5Ex 148.47(BP est) -3.21(MP est) ----(BP exp) ----(MP exp) F[As](N=C=[Se])F -3.2Pred
[AsH2]C(Br)=C(F)F18951218.86C2H2AsBrF2(1-bromo-2,2-difluorovinyl)arsaneN86[As]([H])([H])C(Br)=C(F)FInChI=1S/C2H2AsBrF2/c3-1(4)2(5)6/h3H2InChIKey=IFVPLFTZURVPEI-UHFFFAOYSA-N124.1Ex 124.11(BP est) -33.85(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(F)F -33.9Pred
[AsH2]C(F)=C(F)Br18952218.86C2H2AsBrF2(2-bromo-1,2-difluorovinyl)arsaneN86[As]([H])([H])C(F)=C(F)BrInChI=1S/C2H2AsBrF2/c3-1(5)2(4)6/h3H2InChIKey=LNXXQIMBSTYQDP-UHFFFAOYSA-N124.1Ex 124.11(BP est) -33.85(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(F)Br -33.9Pred
FC1[AsH]C1(Br)F18953218.86C2H2AsBrF22-bromo-2,3-difluoroarsiraneN86FC1[As]([H])C1(Br)FInChI=1S/C2H2AsBrF2/c4-2(6)1(5)3-2/h1,3HInChIKey=VGTVDUCPCNKINC-UHFFFAOYSA-N110.2Ex 110.23(BP est) -9.03(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(Br)F -9Pred
BrC1[AsH]C1(F)F18954218.86C2H2AsBrF23-bromo-2,2-difluoroarsiraneN86BrC1[As]([H])C1(F)FInChI=1S/C2H2AsBrF2/c4-1-2(5,6)3-1/h1,3HInChIKey=QZCILLHAXGVBNW-UHFFFAOYSA-N110.2Ex 110.23(BP est) -9.03(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(F)F -9Pred
O[As](O)C(Cl)Br18955237.309CH3AsBrClO2(bromochloromethyl)arsonous acidN96O[As](O)C(Cl)BrInChI=1S/CH3AsBrClO2/c3-1(4)2(5)6/h1,5-6HInChIKey=SMBXZUFQIPPYFG-UHFFFAOYSA-N300.6Ex 300.55(BP est) 79.84(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)Br 79.8Pred
BrC([AsH2])(Cl)C18956219.338C2H5AsBrCl(1-bromo-1-chloroethyl)arsaneN105BrC([As]([H])([H]))(Cl)CInChI=1S/C2H5AsBrCl/c1-2(3,4)5/h3H2,1H3InChIKey=FZGQSBMYWSBWAP-UHFFFAOYSA-N138.5Ex 138.51(BP est) 2.43(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(Cl)C 2.4Pred
[AsH2]C(CCl)Br18957219.338C2H5AsBrCl(1-bromo-2-chloroethyl)arsaneN105[As]([H])([H])C(CCl)BrInChI=1S/C2H5AsBrCl/c3-2(4)1-5/h2H,1,3H2InChIKey=ZIRCMBXIFOMYGQ-UHFFFAOYSA-N171.0Ex 171.00(BP est) 3.21(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCl)Br 3.2Pred
ClC(CBr)[AsH2]18958219.338C2H5AsBrCl(2-bromo-1-chloroethyl)arsaneN105ClC(CBr)[As]([H])([H])InChI=1S/C2H5AsBrCl/c3-2(5)1-4/h2H,1,3H2InChIKey=BLZQDFAWBLNZRY-UHFFFAOYSA-N159.3Ex 159.30(BP est) -0.21(MP est) ----(BP exp) ----(MP exp) ClC(CBr)[As]([H])([H]) -0.2Pred
BrC(C[AsH2])Cl18959219.338C2H5AsBrCl(2-bromo-2-chloroethyl)arsaneN105BrC(C[As]([H])([H]))ClInChI=1S/C2H5AsBrCl/c3-1-2(4)5/h2H,1,3H2InChIKey=HQUJODZEOLWBLC-UHFFFAOYSA-N159.3Ex 159.30(BP est) -0.21(MP est) ----(BP exp) ----(MP exp) BrC(C[As]([H])([H]))Cl -0.2Pred
C[AsH]C(Br)Cl18960219.338C2H5AsBrCl(bromochloromethyl)(methyl)arsaneN105C[As]([H])C(Br)ClInChI=1S/C2H5AsBrCl/c1-3-2(4)5/h2-3H,1H3InChIKey=IEAUDTYQRKJVQU-UHFFFAOYSA-N157.3Ex 157.29(BP est) -8.98(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)Cl -9Pred
ClC[AsH]CBr18961219.338C2H5AsBrCl(bromomethyl)(chloromethyl)arsaneN105ClC[As]([H])CBrInChI=1S/C2H5AsBrCl/c4-1-3-2-5/h3H,1-2H2InChIKey=SYRGZMPXPQDAMF-UHFFFAOYSA-N181.7Ex 181.69(BP est) 5.64(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CBr 5.6Pred
O[As](O)C(Br)(F)F18962238.847CH2AsBrF2O2(bromodifluoromethyl)arsonous acidN97O[As](O)C(Br)(F)FInChI=1S/CH2AsBrF2O2/c3-1(4,5)2(6)7/h6-7HInChIKey=WTNMJSOIMBRDQU-UHFFFAOYSA-N263.9Ex 263.90(BP est) 55.80(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(F)F 55.8Pred
[AsH2]C(Br)(F)CF18963220.876C2H4AsBrF2(1-bromo-1,2-difluoroethyl)arsaneN106[As]([H])([H])C(Br)(F)CFInChI=1S/C2H4AsBrF2/c3-2(4,6)1-5/h1,3H2InChIKey=GMPZTXGJUZAOOZ-UHFFFAOYSA-N106.3Ex 106.26(BP est) -21.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)CF -21.4Pred
[AsH2]C(C(F)F)Br18964220.876C2H4AsBrF2(1-bromo-2,2-difluoroethyl)arsaneN106[As]([H])([H])C(C(F)F)BrInChI=1S/C2H4AsBrF2/c3-1(4)2(5)6/h1-2H,3H2InChIKey=QQPTXVWYCSXWMB-UHFFFAOYSA-N101.3Ex 101.33(BP est) -39.00(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)F)Br -39Pred
[AsH2]C(F)(F)CBr18965220.876C2H4AsBrF2(2-bromo-1,1-difluoroethyl)arsaneN106[As]([H])([H])C(F)(F)CBrInChI=1S/C2H4AsBrF2/c3-2(5,6)1-4/h1,3H2InChIKey=SALPZPHVMGKCSA-UHFFFAOYSA-N106.3Ex 106.26(BP est) -21.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)CBr -21.4Pred
[AsH2]C(C(F)Br)F18966220.876C2H4AsBrF2(2-bromo-1,2-difluoroethyl)arsaneN106[As]([H])([H])C(C(F)Br)FInChI=1S/C2H4AsBrF2/c3-1(5)2(4)6/h1-2H,3H2InChIKey=DOCBGJFYHLCERM-UHFFFAOYSA-N101.3Ex 101.33(BP est) -39.00(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Br)F -39Pred
[AsH2]CC(Br)(F)F18967220.876C2H4AsBrF2(2-bromo-2,2-difluoroethyl)arsaneN106[As]([H])([H])CC(Br)(F)FInChI=1S/C2H4AsBrF2/c3-1-2(4,5)6/h1,3H2InChIKey=OELFQPIQCALWCS-UHFFFAOYSA-N106.3Ex 106.26(BP est) -21.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(F)F -21.4Pred
C[AsH]C(Br)(F)F18968220.876C2H4AsBrF2(bromodifluoromethyl)(methyl)arsaneN106C[As]([H])C(Br)(F)FInChI=1S/C2H4AsBrF2/c1-3-2(4,5)6/h3H,1H3InChIKey=XIUQTZKIVYRJFU-UHFFFAOYSA-N104.1Ex 104.05(BP est) -30.18(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(F)F -30.2Pred
FC[AsH]C(F)Br18969220.876C2H4AsBrF2(bromofluoromethyl)(fluoromethyl)arsaneN106FC[As]([H])C(F)BrInChI=1S/C2H4AsBrF2/c4-2(6)3-1-5/h2-3H,1H2InChIKey=SFFQFWPUBNOFFK-UHFFFAOYSA-N113.4Ex 113.44(BP est) -36.15(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(F)Br -36.2Pred
BrC[AsH]C(F)F18970220.876C2H4AsBrF2(bromomethyl)(difluoromethyl)arsaneN106BrC[As]([H])C(F)FInChI=1S/C2H4AsBrF2/c4-1-3-2(5)6/h2-3H,1H2InChIKey=JFONOYGFKAGWHO-UHFFFAOYSA-N113.4Ex 113.44(BP est) -36.15(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(F)F -36.2Pred
CC[As](F)(F)=[Se]18971220.94C2H5AsF2Seethylarsonoselenoic difluorideN116CC[As](F)(F)=[Se]InChI=1S/C2H5AsF2Se/c1-2-3(4,5)6/h2H2,1H3InChIKey=OLTKSOJTFBPRAR-UHFFFAOYSA-N138.1Ex 138.07(BP est) -12.05(MP est) ----(BP exp) ----(MP exp) CC[As](F)(F)=[Se] -12.1Pred
[AsH2]C(Br)(Cl)F18972223.301CH2AsBrClF(bromochlorofluoromethyl)arsaneN75[As]([H])([H])C(Br)(Cl)FInChI=1S/CH2AsBrClF/c2-1(3,4)5/h2H2InChIKey=VCUIYGYICGAOOU-UHFFFAOYSA-N117.8Ex 117.82(BP est) -8.95(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Cl)F -9Pred
C[As](Cl)(F)=[Se]18973223.365CH3AsClFSemethylarsonoselenoic chloride fluorideN85C[As](Cl)(F)=[Se]InChI=1S/CH3AsClFSe/c1-2(3,4)5/h1H3InChIKey=JGVXHNTZHWKNNM-UHFFFAOYSA-N147.1Ex 147.06(BP est) -0.39(MP est) ----(BP exp) ----(MP exp) C[As](Cl)(F)=[Se] -0.4Pred
BrC([AsH2])(Cl)C#C18974229.333C3H3AsBrCl(1-bromo-1-chloroprop-2-yn-1-yl)arsaneN96BrC([As]([H])([H]))(Cl)C#CInChI=1S/C3H3AsBrCl/c1-2-3(4,5)6/h1H,4H2InChIKey=WTENWUDLXDNQQO-UHFFFAOYSA-N168.1Ex 168.12(BP est) 12.35(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(Cl)C#C 12.4Pred
[AsH2]C(C#CCl)Br18975229.333C3H3AsBrCl(1-bromo-3-chloroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CCl)BrInChI=1S/C3H3AsBrCl/c4-3(5)1-2-6/h3H,4H2InChIKey=SLIOVDATNAOTCV-UHFFFAOYSA-N182.4Ex 182.42(BP est) 29.04(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CCl)Br 29Pred
[AsH2]C(C#CBr)Cl18976229.333C3H3AsBrCl(3-bromo-1-chloroprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CBr)ClInChI=1S/C3H3AsBrCl/c4-3(6)1-2-5/h3H,4H2InChIKey=DUZXFNVEBQQLFB-UHFFFAOYSA-N195.3Ex 195.34(BP est) 34.70(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CBr)Cl 34.7Pred
BrC(Cl)[AsH]C#C18977229.333C3H3AsBrCl(bromochloromethyl)(ethynyl)arsaneN96BrC(Cl)[As]([H])C#CInChI=1S/C3H3AsBrCl/c1-2-4-3(5)6/h1,3-4HInChIKey=IDOQILIFOABRLR-UHFFFAOYSA-N185.9Ex 185.87(BP est) 28.48(MP est) ----(BP exp) ----(MP exp) BrC(Cl)[As]([H])C#C 28.5Pred
ClC[AsH]C#CBr18978229.333C3H3AsBrCl(bromoethynyl)(chloromethyl)arsaneN96ClC[As]([H])C#CBrInChI=1S/C3H3AsBrCl/c5-2-1-4-3-6/h4H,3H2InChIKey=CKUMSJIAMFSCNS-UHFFFAOYSA-N216.1Ex 216.09(BP est) 43.44(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C#CBr 43.4Pred
BrC[AsH]C#CCl18979229.333C3H3AsBrCl(bromomethyl)(chloroethynyl)arsaneN96BrC[As]([H])C#CClInChI=1S/C3H3AsBrCl/c5-3-4-1-2-6/h4H,3H2InChIKey=ACGPGPFLVWJRTO-UHFFFAOYSA-N192.9Ex 192.86(BP est) 33.27(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C#CCl 33.3Pred
BrC1(Cl)[AsH]C=C118980229.333C3H3AsBrCl2-bromo-2-chloro-1,2-dihydroarseteN96BrC1(Cl)[As]([H])C=C1InChI=1S/C3H3AsBrCl/c5-3(6)1-2-4-3/h1-2,4HInChIKey=JVXRSNQHFJEHMT-UHFFFAOYSA-N175.1Ex 175.09(BP est) 9.61(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)[As]([H])C=C1 9.6Pred
BrC1[AsH]C=C1Cl18981229.333C3H3AsBrCl2-bromo-3-chloro-1,2-dihydroarseteN96BrC1[As]([H])C=C1ClInChI=1S/C3H3AsBrCl/c5-3-2(6)1-4-3/h1,3-4HInChIKey=JVDRGXSUILKSQH-UHFFFAOYSA-N182.5Ex 182.46(BP est) 27.11(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C=C1Cl 27.1Pred
BrC1[AsH]C(Cl)=C118982229.333C3H3AsBrCl2-bromo-4-chloro-1,2-dihydroarseteN96BrC1[As]([H])C(Cl)=C1InChI=1S/C3H3AsBrCl/c5-2-1-3(6)4-2/h1-2,4HInChIKey=JSVAPYKTCSZNII-UHFFFAOYSA-N182.5Ex 182.46(BP est) 27.11(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C(Cl)=C1 27.1Pred
ClC1[AsH]C=C1Br18983229.333C3H3AsBrCl3-bromo-2-chloro-1,2-dihydroarseteN96ClC1[As]([H])C=C1BrInChI=1S/C3H3AsBrCl/c5-2-1-4-3(2)6/h1,3-4HInChIKey=XJIPWKGLGQWYQV-UHFFFAOYSA-N195.4Ex 195.37(BP est) 20.73(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C=C1Br 20.7Pred
ClC1=C(Br)C[AsH]118984229.333C3H3AsBrCl3-bromo-4-chloro-1,2-dihydroarseteN96ClC1=C(Br)C[As]([H])1InChI=1S/C3H3AsBrCl/c5-2-1-4-3(2)6/h4H,1H2InChIKey=PYZZLLOMZKLSQV-UHFFFAOYSA-N186.7Ex 186.66(BP est) 16.02(MP est) ----(BP exp) ----(MP exp) ClC1=C(Br)C[As]([H])1 16Pred
ClC1[AsH]C(Br)=C118985229.333C3H3AsBrCl4-bromo-2-chloro-1,2-dihydroarseteN96ClC1[As]([H])C(Br)=C1InChI=1S/C3H3AsBrCl/c5-2-1-3(6)4-2/h1,3-4HInChIKey=FWQYOIWJKDRROI-UHFFFAOYSA-N195.4Ex 195.37(BP est) 20.73(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(Br)=C1 20.7Pred
BrC1=C(Cl)C[AsH]118986229.333C3H3AsBrCl4-bromo-3-chloro-1,2-dihydroarseteN96BrC1=C(Cl)C[As]([H])1InChI=1S/C3H3AsBrCl/c5-3-2(6)1-4-3/h4H,1H2InChIKey=NBPIUOFADHUPTD-UHFFFAOYSA-N186.7Ex 186.66(BP est) 16.02(MP est) ----(BP exp) ----(MP exp) BrC1=C(Cl)C[As]([H])1 16Pred
[AsH2]C(I)=C18987229.88C2H4AsI(1-iodovinyl)arsaneN84[As]([H])([H])C(I)=CInChI=1S/C2H4AsI/c1-2(3)4/h1,3H2InChIKey=XPZACBWODPAPFH-UHFFFAOYSA-N150.2Ex 150.20(BP est) -19.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C -19.1Pred
[AsH2]C=CI18988229.88C2H4AsI(2-iodovinyl)arsaneN84[As]([H])([H])C=CIInChI=1S/C2H4AsI/c3-1-2-4/h1-2H,3H2InChIKey=RJQBDAVPTGQKKY-UHFFFAOYSA-N164.5Ex 164.47(BP est) -9.57(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=CI -9.6Pred
IC1[AsH]C118989229.88C2H4AsI2-iodoarsiraneN84IC1[As]([H])C1InChI=1S/C2H4AsI/c4-2-1-3-2/h2-3H,1H2InChIKey=WHWAXBGMHWUDII-UHFFFAOYSA-N157.5Ex 157.51(BP est) -6.52(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1 -6.5Pred
O[As](O)C(Br)=CCl18990249.32C2H3AsBrClO2(1-bromo-2-chlorovinyl)arsonous acidN107O[As](O)C(Br)=CClInChI=1S/C2H3AsBrClO2/c4-2(1-5)3(6)7/h1,6-7HInChIKey=APVSTRJQRALTEX-UHFFFAOYSA-N314.8Ex 314.82(BP est) 87.63(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)=CCl 87.6Pred
O[As](O)C(Cl)=CBr18991249.32C2H3AsBrClO2(2-bromo-1-chlorovinyl)arsonous acidN107O[As](O)C(Cl)=CBrInChI=1S/C2H3AsBrClO2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=KGCMUSBAKOVLPK-UHFFFAOYSA-N314.8Ex 314.82(BP est) 87.63(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)=CBr 87.6Pred
O[As](O)C=C(Cl)Br18992249.32C2H3AsBrClO2(2-bromo-2-chlorovinyl)arsonous acidN107O[As](O)C=C(Cl)BrInChI=1S/C2H3AsBrClO2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=DLCQUUMVCGFZSE-UHFFFAOYSA-N314.8Ex 314.82(BP est) 87.63(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(Cl)Br 87.6Pred
BrC([AsH2])(Cl)C=C18993231.349C3H5AsBrCl(1-bromo-1-chloroallyl)arsaneN116BrC([As]([H])([H]))(Cl)C=CInChI=1S/C3H5AsBrCl/c1-2-3(4,5)6/h2H,1,4H2InChIKey=QKAIZZXRMZELSL-UHFFFAOYSA-N159.0Ex 158.97(BP est) 13.16(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(Cl)C=C 13.2Pred
BrC(C(Cl)=C)[AsH2]18994231.349C3H5AsBrCl(1-bromo-2-chloroallyl)arsaneN116BrC(C(Cl)=C)[As]([H])([H])InChI=1S/C3H5AsBrCl/c1-2(6)3(4)5/h3H,1,4H2InChIKey=SZFVSNQKSTYNAJ-UHFFFAOYSA-N159.7Ex 159.72(BP est) -2.31(MP est) ----(BP exp) ----(MP exp) BrC(C(Cl)=C)[As]([H])([H]) -2.3Pred
C[AsH]C(Br)=CCl18995231.349C3H5AsBrCl(1-bromo-2-chlorovinyl)(methyl)arsaneN116C[As]([H])C(Br)=CClInChI=1S/C3H5AsBrCl/c1-4-3(5)2-6/h2,4H,1H3InChIKey=YWMZQXHOOUOIHH-UHFFFAOYSA-N178.7Ex 178.71(BP est) 0.89(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)=CCl 0.9Pred
[AsH2]C(C=CCl)Br18996231.349C3H5AsBrCl(1-bromo-3-chloroallyl)arsaneN116[As]([H])([H])C(C=CCl)BrInChI=1S/C3H5AsBrCl/c4-3(5)1-2-6/h1-3H,4H2InChIKey=KOBIRNOUBCJYDP-UHFFFAOYSA-N173.7Ex 173.73(BP est) 7.10(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CCl)Br 7.1Pred
ClC[AsH]C(Br)=C18997231.349C3H5AsBrCl(1-bromovinyl)(chloromethyl)arsaneN116ClC[As]([H])C(Br)=CInChI=1S/C3H5AsBrCl/c1-3(5)4-2-6/h4H,1-2H2InChIKey=QVAZTCFMPBHYAE-UHFFFAOYSA-N195.0Ex 195.02(BP est) 7.31(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(Br)=C 7.3Pred
[AsH2]C(C(Br)=C)Cl18998231.349C3H5AsBrCl(2-bromo-1-chloroallyl)arsaneN116[As]([H])([H])C(C(Br)=C)ClInChI=1S/C3H5AsBrCl/c1-2(5)3(4)6/h3H,1,4H2InChIKey=PQJBEUOZNGCULK-UHFFFAOYSA-N173.3Ex 173.25(BP est) 1.64(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)=C)Cl 1.6Pred
ClC1([AsH2])C(Br)C118999231.349C3H5AsBrCl(2-bromo-1-chlorocyclopropyl)arsaneN116ClC1([As]([H])([H]))C(Br)C1InChI=1S/C3H5AsBrCl/c4-3(6)1-2(3)5/h2H,1,4H2InChIKey=BODJINGNSGPSQZ-UHFFFAOYSA-N168.1Ex 168.14(BP est) 9.41(MP est) ----(BP exp) ----(MP exp) ClC1([As]([H])([H]))C(Br)C1 9.4Pred
C[AsH]C(Cl)=CBr19000231.349C3H5AsBrCl(2-bromo-1-chlorovinyl)(methyl)arsaneN116C[As]([H])C(Cl)=CBrInChI=1S/C3H5AsBrCl/c1-4-3(6)2-5/h2,4H,1H3InChIKey=XJKODMFXXYISOS-UHFFFAOYSA-N178.7Ex 178.71(BP est) 0.89(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)=CBr 0.9Pred
BrC1(Cl)CC1[AsH2]19001231.349C3H5AsBrCl(2-bromo-2-chlorocyclopropyl)arsaneN116BrC1(Cl)CC1[As]([H])([H])InChI=1S/C3H5AsBrCl/c4-2-1-3(2,5)6/h2H,1,4H2InChIKey=QRVPLTULGKBJQT-UHFFFAOYSA-N168.1Ex 168.14(BP est) 9.41(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)CC1[As]([H])([H]) 9.4Pred
C[AsH]C=C(Cl)Br19002231.349C3H5AsBrCl(2-bromo-2-chlorovinyl)(methyl)arsaneN116C[As]([H])C=C(Cl)BrInChI=1S/C3H5AsBrCl/c1-4-2-3(5)6/h2,4H,1H3InChIKey=BGWLPLJEYCPCGH-UHFFFAOYSA-N178.7Ex 178.71(BP est) 0.89(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(Cl)Br 0.9Pred
[AsH2]CC(Br)=CCl19003231.349C3H5AsBrCl(2-bromo-3-chloroallyl)arsaneN116[As]([H])([H])CC(Br)=CClInChI=1S/C3H5AsBrCl/c4-1-3(5)2-6/h2H,1,4H2InChIKey=XHSSZDNJCFPAHB-UHFFFAOYSA-N180.6Ex 180.63(BP est) 9.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)=CCl 9.6Pred
ClC[AsH]C=CBr19004231.349C3H5AsBrCl(2-bromovinyl)(chloromethyl)arsaneN116ClC[As]([H])C=CBrInChI=1S/C3H5AsBrCl/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=XVSOOCSTQPCFDI-UHFFFAOYSA-N208.0Ex 208.03(BP est) 16.43(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C=CBr 16.4Pred
[AsH2]C(C=CBr)Cl19005231.349C3H5AsBrCl(3-bromo-1-chloroallyl)arsaneN116[As]([H])([H])C(C=CBr)ClInChI=1S/C3H5AsBrCl/c4-3(6)1-2-5/h1-3H,4H2InChIKey=MGKMFJFUSOIMGK-UHFFFAOYSA-N186.9Ex 186.89(BP est) 10.94(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CBr)Cl 10.9Pred
[AsH2]CC(Cl)=CBr19006231.349C3H5AsBrCl(3-bromo-2-chloroallyl)arsaneN116[As]([H])([H])CC(Cl)=CBrInChI=1S/C3H5AsBrCl/c4-1-3(6)2-5/h2H,1,4H2InChIKey=AOVFYIVNFPRODV-UHFFFAOYSA-N180.6Ex 180.63(BP est) 9.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)=CBr 9.6Pred
[AsH2]CC=C(Cl)Br19007231.349C3H5AsBrCl(3-bromo-3-chloroallyl)arsaneN116[As]([H])([H])CC=C(Cl)BrInChI=1S/C3H5AsBrCl/c4-2-1-3(5)6/h1H,2,4H2InChIKey=FLLWDJLINJEWSG-UHFFFAOYSA-N180.6Ex 180.63(BP est) 9.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(Cl)Br 9.6Pred
BrC(Cl)[AsH]C=C19008231.349C3H5AsBrCl(bromochloromethyl)(vinyl)arsaneN116BrC(Cl)[As]([H])C=CInChI=1S/C3H5AsBrCl/c1-2-4-3(5)6/h2-4H,1H2InChIKey=FXPYKLMAYASDCG-UHFFFAOYSA-N177.0Ex 177.04(BP est) 1.54(MP est) ----(BP exp) ----(MP exp) BrC(Cl)[As]([H])C=C 1.5Pred
BrC[AsH]C(Cl)=C19009231.349C3H5AsBrCl(bromomethyl)(1-chlorovinyl)arsaneN116BrC[As]([H])C(Cl)=CInChI=1S/C3H5AsBrCl/c1-3(6)4-2-5/h4H,1-2H2InChIKey=YOSPAKOLZHLVDF-UHFFFAOYSA-N170.7Ex 170.66(BP est) 0.20(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(Cl)=C 0.2Pred
BrC[AsH]C=CCl19010231.349C3H5AsBrCl(bromomethyl)(2-chlorovinyl)arsaneN116BrC[As]([H])C=CClInChI=1S/C3H5AsBrCl/c5-3-4-1-2-6/h1-2,4H,3H2InChIKey=XXGURQDJKRBAIV-UHFFFAOYSA-N184.4Ex 184.37(BP est) 9.52(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C=CCl 9.5Pred
BrC(Cl)[As]1CC119011231.349C3H5AsBrCl1-(bromochloromethyl)arsiraneN116BrC(Cl)[As]1CC1InChI=1S/C3H5AsBrCl/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=PKEWUJFHOYPODO-UHFFFAOYSA-N184.3Ex 184.32(BP est) 9.21(MP est) ----(BP exp) ----(MP exp) BrC(Cl)[As]1CC1 9.2Pred
BrC[As]1CC1Cl19012231.349C3H5AsBrCl1-(bromomethyl)-2-chloroarsiraneN116BrC[As]1CC1ClInChI=1S/C3H5AsBrCl/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=FBWPDLZQNYWAQG-UHFFFAOYSA-N190.7Ex 190.73(BP est) 16.46(MP est) ----(BP exp) ----(MP exp) BrC[As]1CC1Cl 16.5Pred
ClC[As]1CC1Br19013231.349C3H5AsBrCl2-bromo-1-(chloromethyl)arsiraneN116ClC[As]1CC1BrInChI=1S/C3H5AsBrCl/c5-3-1-4(3)2-6/h3H,1-2H2InChIKey=GQSKNWDEXRRNSO-UHFFFAOYSA-N201.7Ex 201.69(BP est) 19.66(MP est) ----(BP exp) ----(MP exp) ClC[As]1CC1Br 19.7Pred
C[As]1CC1(Br)Cl19014231.349C3H5AsBrCl2-bromo-2-chloro-1-methylarsiraneN116C[As]1CC1(Br)ClInChI=1S/C3H5AsBrCl/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=KVGZUIBVJVSVJF-UHFFFAOYSA-N168.4Ex 168.42(BP est) 21.90(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(Br)Cl 21.9Pred
BrC1(Cl)[AsH]CC119015231.349C3H5AsBrCl2-bromo-2-chloroarsetaneN116BrC1(Cl)[As]([H])CC1InChI=1S/C3H5AsBrCl/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=MJDALTZCQUASHL-UHFFFAOYSA-N172.3Ex 172.33(BP est) 29.47(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)[As]([H])CC1 29.5Pred
C[As]1C(Cl)C1Br19016231.349C3H5AsBrCl2-bromo-3-chloro-1-methylarsiraneN116C[As]1C(Cl)C1BrInChI=1S/C3H5AsBrCl/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=DIZUVVSYZFEAQE-UHFFFAOYSA-N184.8Ex 184.80(BP est) 12.61(MP est) ----(BP exp) ----(MP exp) C[As]1C(Cl)C1Br 12.6Pred
BrC1[AsH]CC1Cl19017231.349C3H5AsBrCl2-bromo-3-chloroarsetaneN116BrC1[As]([H])CC1ClInChI=1S/C3H5AsBrCl/c5-3-2(6)1-4-3/h2-4H,1H2InChIKey=QSMQPNPABYEDHP-UHFFFAOYSA-N188.6Ex 188.58(BP est) 20.14(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])CC1Cl 20.1Pred
ClC1[AsH]C(Br)C119018231.349C3H5AsBrCl2-bromo-4-chloroarsetaneN116ClC1[As]([H])C(Br)C1InChI=1S/C3H5AsBrCl/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=VVLMOLXZKWWTTQ-UHFFFAOYSA-N188.6Ex 188.58(BP est) 20.14(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(Br)C1 20.1Pred
ClC1[AsH]CC1Br19019231.349C3H5AsBrCl3-bromo-2-chloroarsetaneN116ClC1[As]([H])CC1BrInChI=1S/C3H5AsBrCl/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=FSMZEOBFCKXDKW-UHFFFAOYSA-N188.6Ex 188.58(BP est) 20.14(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])CC1Br 20.1Pred
BrC1(Cl)C[AsH]C119020231.349C3H5AsBrCl3-bromo-3-chloroarsetaneN116BrC1(Cl)C[As]([H])C1InChI=1S/C3H5AsBrCl/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=KCRPADQOWFLOSS-UHFFFAOYSA-N172.3Ex 172.33(BP est) 29.47(MP est) ----(BP exp) ----(MP exp) BrC1(Cl)C[As]([H])C1 29.5Pred
O[As](O)CI19021249.867CH4AsIO2(iodomethyl)arsonous acidN95O[As](O)CIInChI=1S/CH4AsIO2/c3-1-2(4)5/h4-5H,1H2InChIKey=OQCNOKYBWLERRT-UHFFFAOYSA-N299.5Ex 299.54(BP est) 71.22(MP est) ----(BP exp) ----(MP exp) O[As](O)CI 71.2Pred
IC(C)[AsH2]19022231.896C2H6AsI(1-iodoethyl)arsaneN104IC(C)[As]([H])([H])InChI=1S/C2H6AsI/c1-2(3)4/h2H,3H2,1H3InChIKey=XHQHXSBYODHBQF-UHFFFAOYSA-N144.5Ex 144.54(BP est) -20.35(MP est) ----(BP exp) ----(MP exp) IC(C)[As]([H])([H]) -20.4Pred
ICC[AsH2]19023231.896C2H6AsI(2-iodoethyl)arsaneN104ICC[As]([H])([H])InChI=1S/C2H6AsI/c3-1-2-4/h1-3H2InChIKey=JGCFIZRDNBJNEI-UHFFFAOYSA-N157.8Ex 157.81(BP est) -8.97(MP est) ----(BP exp) ----(MP exp) ICC[As]([H])([H]) -9Pred
C[AsH]CI19024231.896C2H6AsI(iodomethyl)(methyl)arsaneN104C[As]([H])CIInChI=1S/C2H6AsI/c1-3-2-4/h3H,2H2,1H3InChIKey=RIQUEAVNFGYPEM-UHFFFAOYSA-N155.8Ex 155.80(BP est) -17.75(MP est) ----(BP exp) ----(MP exp) C[As]([H])CI -17.8Pred
O[As](O)C(Br)(Cl)C19025251.336C2H5AsBrClO2(1-bromo-1-chloroethyl)arsonous acidN127O[As](O)C(Br)(Cl)CInChI=1S/C2H5AsBrClO2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=FMNYAAMWVMEJCR-UHFFFAOYSA-N301.4Ex 301.42(BP est) 83.74(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Cl)C 83.7Pred
O[As](O)C(CCl)Br19026251.336C2H5AsBrClO2(1-bromo-2-chloroethyl)arsonous acidN127O[As](O)C(CCl)BrInChI=1S/C2H5AsBrClO2/c4-2(1-5)3(6)7/h2,6-7H,1H2InChIKey=CNZMGHJFZSCTHY-UHFFFAOYSA-N322.1Ex 322.12(BP est) 91.78(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CCl)Br 91.8Pred
O[As](O)C(CBr)Cl19027251.336C2H5AsBrClO2(2-bromo-1-chloroethyl)arsonous acidN127O[As](O)C(CBr)ClInChI=1S/C2H5AsBrClO2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=YSLHUJAJFBDMNS-UHFFFAOYSA-N314.8Ex 314.75(BP est) 89.63(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CBr)Cl 89.6Pred
O[As](O)CC(Cl)Br19028251.336C2H5AsBrClO2(2-bromo-2-chloroethyl)arsonous acidN127O[As](O)CC(Cl)BrInChI=1S/C2H5AsBrClO2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=WOKCHRVPOYTJAD-UHFFFAOYSA-N314.8Ex 314.75(BP est) 89.63(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(Cl)Br 89.6Pred
C[AsH]C(C)(Br)Cl19029233.365C3H7AsBrCl(1-bromo-1-chloroethyl)(methyl)arsaneN136C[As]([H])C(C)(Br)ClInChI=1S/C3H7AsBrCl/c1-3(5,6)4-2/h4H,1-2H3InChIKey=VFCZNVSNFREMQE-UHFFFAOYSA-N158.6Ex 158.58(BP est) 5.74(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)(Br)Cl 5.7Pred
CC(C(Br)Cl)[AsH2]19030233.365C3H7AsBrCl(1-bromo-1-chloropropan-2-yl)arsaneN136CC(C(Br)Cl)[As]([H])([H])InChI=1S/C3H7AsBrCl/c1-2(4)3(5)6/h2-3H,4H2,1H3InChIKey=IHGVAACWBZWWLP-UHFFFAOYSA-N167.8Ex 167.84(BP est) 0.42(MP est) ----(BP exp) ----(MP exp) CC(C(Br)Cl)[As]([H])([H]) 0.4Pred
BrC([AsH2])(Cl)CC19031233.365C3H7AsBrCl(1-bromo-1-chloropropyl)arsaneN136BrC([As]([H])([H]))(Cl)CCInChI=1S/C3H7AsBrCl/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=AREXGTMREMAIAL-UHFFFAOYSA-N160.6Ex 160.59(BP est) 14.51(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(Cl)CC 14.5Pred
C[AsH]C(CCl)Br19032233.365C3H7AsBrCl(1-bromo-2-chloroethyl)(methyl)arsaneN136C[As]([H])C(CCl)BrInChI=1S/C3H7AsBrCl/c1-4-3(5)2-6/h3-4H,2H2,1H3InChIKey=QWDYJGQMRZNDPO-UHFFFAOYSA-N189.9Ex 189.86(BP est) 6.16(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CCl)Br 6.2Pred
ClC([AsH2])(C)CBr19033233.365C3H7AsBrCl(1-bromo-2-chloropropan-2-yl)arsaneN136ClC([As]([H])([H]))(C)CBrInChI=1S/C3H7AsBrCl/c1-3(4,6)2-5/h2,4H2,1H3InChIKey=YHLCFZZSMVNWOR-UHFFFAOYSA-N160.6Ex 160.59(BP est) 14.51(MP est) ----(BP exp) ----(MP exp) ClC([As]([H])([H]))(C)CBr 14.5Pred
BrC(C(Cl)C)[AsH2]19034233.365C3H7AsBrCl(1-bromo-2-chloropropyl)arsaneN136BrC(C(Cl)C)[As]([H])([H])InChI=1S/C3H7AsBrCl/c1-2(6)3(4)5/h2-3H,4H2,1H3InChIKey=BAYGXGVEMQYOJA-UHFFFAOYSA-N167.8Ex 167.84(BP est) 0.42(MP est) ----(BP exp) ----(MP exp) BrC(C(Cl)C)[As]([H])([H]) 0.4Pred
[AsH2]C(CCCl)Br19035233.365C3H7AsBrCl(1-bromo-3-chloropropyl)arsaneN136[As]([H])([H])C(CCCl)BrInChI=1S/C3H7AsBrCl/c4-3(5)1-2-6/h3H,1-2,4H2InChIKey=QSSOJSZUDBESGV-UHFFFAOYSA-N191.7Ex 191.74(BP est) 14.90(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCCl)Br 14.9Pred
ClC[AsH]C(C)Br19036233.365C3H7AsBrCl(1-bromoethyl)(chloromethyl)arsaneN136ClC[As]([H])C(C)BrInChI=1S/C3H7AsBrCl/c1-3(5)4-2-6/h3-4H,2H2,1H3InChIKey=UGTFTXRXACUXSQ-UHFFFAOYSA-N189.9Ex 189.86(BP est) 6.16(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(C)Br 6.2Pred
C[AsH]C(Cl)CBr19037233.365C3H7AsBrCl(2-bromo-1-chloroethyl)(methyl)arsaneN136C[As]([H])C(Cl)CBrInChI=1S/C3H7AsBrCl/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=QMRNKOFPYDIBIH-UHFFFAOYSA-N178.6Ex 178.60(BP est) 2.88(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)CBr 2.9Pred
ClC(C(Br)C)[AsH2]19038233.365C3H7AsBrCl(2-bromo-1-chloropropyl)arsaneN136ClC(C(Br)C)[As]([H])([H])InChI=1S/C3H7AsBrCl/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=JHDJATWBJZETJW-UHFFFAOYSA-N167.8Ex 167.84(BP est) 0.42(MP est) ----(BP exp) ----(MP exp) ClC(C(Br)C)[As]([H])([H]) 0.4Pred
C[AsH]CC(Br)Cl19039233.365C3H7AsBrCl(2-bromo-2-chloroethyl)(methyl)arsaneN136C[As]([H])CC(Br)ClInChI=1S/C3H7AsBrCl/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=AJGJPOMZMKZWEV-UHFFFAOYSA-N178.6Ex 178.60(BP est) 2.88(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(Br)Cl 2.9Pred
BrC(C)(C[AsH2])Cl19040233.365C3H7AsBrCl(2-bromo-2-chloropropyl)arsaneN136BrC(C)(C[As]([H])([H]))ClInChI=1S/C3H7AsBrCl/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=SIJGTSBPFYKDMN-UHFFFAOYSA-N160.6Ex 160.59(BP est) 14.51(MP est) ----(BP exp) ----(MP exp) BrC(C)(C[As]([H])([H]))Cl 14.5Pred
[AsH2]CC(CCl)Br19041233.365C3H7AsBrCl(2-bromo-3-chloropropyl)arsaneN136[As]([H])([H])CC(CCl)BrInChI=1S/C3H7AsBrCl/c4-1-3(5)2-6/h3H,1-2,4H2InChIKey=CXMIGOPMMLIOHQ-UHFFFAOYSA-N191.7Ex 191.74(BP est) 14.90(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CCl)Br 14.9Pred
ClC[AsH]CCBr19042233.365C3H7AsBrCl(2-bromoethyl)(chloromethyl)arsaneN136ClC[As]([H])CCBrInChI=1S/C3H7AsBrCl/c5-2-1-4-3-6/h4H,1-3H2InChIKey=IVTWHOGCUJACRR-UHFFFAOYSA-N202.0Ex 201.97(BP est) 17.20(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CCBr 17.2Pred
[AsH2]C(CCBr)Cl19043233.365C3H7AsBrCl(3-bromo-1-chloropropyl)arsaneN136[As]([H])([H])C(CCBr)ClInChI=1S/C3H7AsBrCl/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=XAFLWKVRTZWGOI-UHFFFAOYSA-N180.5Ex 180.53(BP est) 11.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCBr)Cl 11.6Pred
[AsH2]CC(CBr)Cl19044233.365C3H7AsBrCl(3-bromo-2-chloropropyl)arsaneN136[As]([H])([H])CC(CBr)ClInChI=1S/C3H7AsBrCl/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=NKIRPCYBTMTQAS-UHFFFAOYSA-N180.5Ex 180.53(BP est) 11.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CBr)Cl 11.6Pred
[AsH2]CCC(Cl)Br19045233.365C3H7AsBrCl(3-bromo-3-chloropropyl)arsaneN136[As]([H])([H])CCC(Cl)BrInChI=1S/C3H7AsBrCl/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=LEYXGDKKWYMHGH-UHFFFAOYSA-N180.5Ex 180.53(BP est) 11.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(Cl)Br 11.6Pred
BrC(Cl)[AsH]CC19046233.365C3H7AsBrCl(bromochloromethyl)(ethyl)arsaneN136BrC(Cl)[As]([H])CCInChI=1S/C3H7AsBrCl/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=FKZULJPAKOJERK-UHFFFAOYSA-N178.6Ex 178.60(BP est) 2.88(MP est) ----(BP exp) ----(MP exp) BrC(Cl)[As]([H])CC 2.9Pred
C[As](C)C(Br)Cl19047233.365C3H7AsBrCl(bromochloromethyl)dimethylarsaneN136C[As](C)C(Br)ClInChI=1S/C3H7AsBrCl/c1-4(2)3(5)6/h3H,1-2H3InChIKey=KMMJRYBXNUUGJC-UHFFFAOYSA-N176.7Ex 176.67(BP est) -5.87(MP est) ----(BP exp) ----(MP exp) C[As](C)C(Br)Cl -5.9Pred
BrC[AsH]C(Cl)C19048233.365C3H7AsBrCl(bromomethyl)(1-chloroethyl)arsaneN136BrC[As]([H])C(Cl)CInChI=1S/C3H7AsBrCl/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=PRXHZFOICYUPFJ-UHFFFAOYSA-N178.6Ex 178.60(BP est) 2.88(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(Cl)C 2.9Pred
BrC[AsH]CCCl19049233.365C3H7AsBrCl(bromomethyl)(2-chloroethyl)arsaneN136BrC[As]([H])CCClInChI=1S/C3H7AsBrCl/c5-3-4-1-2-6/h4H,1-3H2InChIKey=SDEMKIZLBVBEII-UHFFFAOYSA-N202.0Ex 201.97(BP est) 17.20(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CCCl 17.2Pred
C[As](CBr)CCl19050233.365C3H7AsBrCl(bromomethyl)(chloromethyl)(methyl)arsaneN136C[As](CBr)CClInChI=1S/C3H7AsBrCl/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=QMYSAXURNGRCBK-UHFFFAOYSA-N200.1Ex 200.13(BP est) 8.48(MP est) ----(BP exp) ----(MP exp) C[As](CBr)CCl 8.5Pred
[AsH2]C(Br)=C(F)Cl19051235.312C2H2AsBrClF(1-bromo-2-chloro-2-fluorovinyl)arsaneN86[As]([H])([H])C(Br)=C(F)ClInChI=1S/C2H2AsBrClF/c3-1(4)2(5)6/h3H2InChIKey=APUMHWKRJADLTP-UHFFFAOYSA-N155.6Ex 155.60(BP est) -9.99(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(F)Cl -10Pred
[AsH2]C(Cl)=C(F)Br19052235.312C2H2AsBrClF(2-bromo-1-chloro-2-fluorovinyl)arsaneN86[As]([H])([H])C(Cl)=C(F)BrInChI=1S/C2H2AsBrClF/c3-1(5)2(4)6/h3H2InChIKey=LETQJXJHDJRVCE-UHFFFAOYSA-N155.6Ex 155.60(BP est) -9.99(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(F)Br -10Pred
[AsH2]C(F)=C(Cl)Br19053235.312C2H2AsBrClF(2-bromo-2-chloro-1-fluorovinyl)arsaneN86[As]([H])([H])C(F)=C(Cl)BrInChI=1S/C2H2AsBrClF/c3-1(6)2(4)5/h3H2InChIKey=DSONKDLMLUHARP-UHFFFAOYSA-N155.6Ex 155.60(BP est) -9.99(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(Cl)Br -10Pred
FC1[AsH]C1(Br)Cl19054235.312C2H2AsBrClF2-bromo-2-chloro-3-fluoroarsiraneN86FC1[As]([H])C1(Br)ClInChI=1S/C2H2AsBrClF/c4-2(5)1(6)3-2/h1,3HInChIKey=YXIXSSBCBWPMIV-UHFFFAOYSA-N144.5Ex 144.46(BP est) 15.63(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(Br)Cl 15.6Pred
ClC1[AsH]C1(Br)F19055235.312C2H2AsBrClF2-bromo-3-chloro-2-fluoroarsiraneN86ClC1[As]([H])C1(Br)FInChI=1S/C2H2AsBrClF/c4-2(6)1(5)3-2/h1,3HInChIKey=XLMHUMVXMJTUDP-UHFFFAOYSA-N156.5Ex 156.46(BP est) 19.13(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(Br)F 19.1Pred
BrC1[AsH]C1(Cl)F19056235.312C2H2AsBrClF3-bromo-2-chloro-2-fluoroarsiraneN86BrC1[As]([H])C1(Cl)FInChI=1S/C2H2AsBrClF/c4-1-2(5,6)3-1/h1,3HInChIKey=YERBXUCSCJFONO-UHFFFAOYSA-N144.5Ex 144.46(BP est) 15.63(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(Cl)F 15.6Pred
[AsH2]C(I)F19057235.859CH3AsFI(fluoroiodomethyl)arsaneN74[As]([H])([H])C(I)FInChI=1S/CH3AsFI/c2-1(3)4/h1H,2H2InChIKey=GBVXGGOQKJSYPC-UHFFFAOYSA-N124.1Ex 124.07(BP est) -31.66(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)F -31.7Pred
O[As](O)C(Br)(Cl)F19058255.299CH2AsBrClFO2(bromochlorofluoromethyl)arsonous acidN97O[As](O)C(Br)(Cl)FInChI=1S/CH2AsBrClFO2/c3-1(4,5)2(6)7/h6-7HInChIKey=GRAONBSWFFTALL-UHFFFAOYSA-N287.9Ex 287.88(BP est) 74.91(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Cl)F 74.9Pred
[AsH2]C(Br)(Cl)CF19059237.328C2H4AsBrClF(1-bromo-1-chloro-2-fluoroethyl)arsaneN106[As]([H])([H])C(Br)(Cl)CFInChI=1S/C2H4AsBrClF/c3-2(4,5)1-6/h1,3H2InChIKey=HORTWWOTVNKTSB-UHFFFAOYSA-N140.7Ex 140.71(BP est) 3.37(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Cl)CF 3.4Pred
[AsH2]C(Br)(F)CCl19060237.328C2H4AsBrClF(1-bromo-2-chloro-1-fluoroethyl)arsaneN106[As]([H])([H])C(Br)(F)CClInChI=1S/C2H4AsBrClF/c3-2(4,6)1-5/h1,3H2InChIKey=NUGMPPABOCSBQA-UHFFFAOYSA-N164.6Ex 164.64(BP est) 10.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)CCl 10.4Pred
[AsH2]C(C(F)Cl)Br19061237.328C2H4AsBrClF(1-bromo-2-chloro-2-fluoroethyl)arsaneN106[As]([H])([H])C(C(F)Cl)BrInChI=1S/C2H4AsBrClF/c3-1(4)2(5)6/h1-2H,3H2InChIKey=NIZSJKYPIQOOTF-UHFFFAOYSA-N148.2Ex 148.24(BP est) -10.64(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Cl)Br -10.6Pred
[AsH2]C(Cl)(F)CBr19062237.328C2H4AsBrClF(2-bromo-1-chloro-1-fluoroethyl)arsaneN106[As]([H])([H])C(Cl)(F)CBrInChI=1S/C2H4AsBrClF/c3-2(5,6)1-4/h1,3H2InChIKey=LKUDDTLADJJZGD-UHFFFAOYSA-N140.7Ex 140.71(BP est) 3.37(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)CBr 3.4Pred
[AsH2]C(C(F)Br)Cl19063237.328C2H4AsBrClF(2-bromo-1-chloro-2-fluoroethyl)arsaneN106[As]([H])([H])C(C(F)Br)ClInChI=1S/C2H4AsBrClF/c3-1(5)2(4)6/h1-2H,3H2InChIKey=PETGMCYVMUAOHO-UHFFFAOYSA-N148.2Ex 148.24(BP est) -10.64(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Br)Cl -10.6Pred
[AsH2]C(C(Cl)Br)F19064237.328C2H4AsBrClF(2-bromo-2-chloro-1-fluoroethyl)arsaneN106[As]([H])([H])C(C(Cl)Br)FInChI=1S/C2H4AsBrClF/c3-1(6)2(4)5/h1-2H,3H2InChIKey=FUGGXSLAILUTRL-UHFFFAOYSA-N148.2Ex 148.24(BP est) -10.64(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)Br)F -10.6Pred
[AsH2]CC(Br)(Cl)F19065237.328C2H4AsBrClF(2-bromo-2-chloro-2-fluoroethyl)arsaneN106[As]([H])([H])CC(Br)(Cl)FInChI=1S/C2H4AsBrClF/c3-1-2(4,5)6/h1,3H2InChIKey=VUWFRUXRGLQPDB-UHFFFAOYSA-N140.7Ex 140.71(BP est) 3.37(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Cl)F 3.4Pred
C[AsH]C(Br)(Cl)F19066237.328C2H4AsBrClF(bromochlorofluoromethyl)(methyl)arsaneN106C[As]([H])C(Br)(Cl)FInChI=1S/C2H4AsBrClF/c1-3-2(4,5)6/h3H,1H3InChIKey=IZZMGJLWZWYSHC-UHFFFAOYSA-N138.6Ex 138.63(BP est) -5.42(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(Cl)F -5.4Pred
FC[AsH]C(Cl)Br19067237.328C2H4AsBrClF(bromochloromethyl)(fluoromethyl)arsaneN106FC[As]([H])C(Cl)BrInChI=1S/C2H4AsBrClF/c4-2(5)3-1-6/h2-3H,1H2InChIKey=RZWKUYIIBIDODJ-UHFFFAOYSA-N159.4Ex 159.42(BP est) -8.06(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(Cl)Br -8.1Pred
ClC[AsH]C(F)Br19068237.328C2H4AsBrClF(bromofluoromethyl)(chloromethyl)arsaneN106ClC[As]([H])C(F)BrInChI=1S/C2H4AsBrClF/c4-2(6)3-1-5/h2-3H,1H2InChIKey=AQHHVBUFOKCYEL-UHFFFAOYSA-N171.1Ex 171.11(BP est) -4.65(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(F)Br -4.7Pred
BrC[AsH]C(F)Cl19069237.328C2H4AsBrClF(bromomethyl)(chlorofluoromethyl)arsaneN106BrC[As]([H])C(F)ClInChI=1S/C2H4AsBrClF/c4-1-3-2(5)6/h2-3H,1H2InChIKey=AWKRESTZZXXGQI-UHFFFAOYSA-N159.4Ex 159.42(BP est) -8.06(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(F)Cl -8.1Pred
CC[As](Cl)(F)=[Se]19070237.392C2H5AsClFSeethylarsonoselenoic chloride fluorideN116CC[As](Cl)(F)=[Se]InChI=1S/C2H5AsClFSe/c1-2-3(4,5)6/h2H2,1H3InChIKey=HKKHFWCESUDHTH-UHFFFAOYSA-N168.8Ex 168.79(BP est) 11.59(MP est) ----(BP exp) ----(MP exp) CC[As](Cl)(F)=[Se] 11.6Pred
BrC([AsH2])(Cl)Cl19071239.753CH2AsBrCl2(bromodichloromethyl)arsaneN75BrC([As]([H])([H]))(Cl)ClInChI=1S/CH2AsBrCl2/c2-1(3,4)5/h2H2InChIKey=NEERNJMGRDFOND-UHFFFAOYSA-N151.6Ex 151.61(BP est) 15.58(MP est) ----(BP exp) ----(MP exp) BrC([As]([H])([H]))(Cl)Cl 15.6Pred
[AsH2]C(C#C)I19072241.891C3H4AsI(1-iodoprop-2-yn-1-yl)arsaneN95[As]([H])([H])C(C#C)IInChI=1S/C3H4AsI/c1-2-3(4)5/h1,3H,4H2InChIKey=NJGTXWTWEOFDAK-UHFFFAOYSA-N173.8Ex 173.83(BP est) 17.32(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#C)I 17.3Pred
[AsH2]CC#CI19073241.891C3H4AsI(3-iodoprop-2-yn-1-yl)arsaneN95[As]([H])([H])CC#CIInChI=1S/C3H4AsI/c4-2-1-3-5/h2,4H2InChIKey=CYEXSRHXIIWUIU-UHFFFAOYSA-N194.0Ex 193.96(BP est) 29.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC#CI 29.9Pred
C[AsH]C#CI19074241.891C3H4AsI(iodoethynyl)(methyl)arsaneN95C[As]([H])C#CIInChI=1S/C3H4AsI/c1-4-2-3-5/h4H,1H3InChIKey=WUQMNRCOIULTMV-UHFFFAOYSA-N192.1Ex 192.09(BP est) 25.02(MP est) ----(BP exp) ----(MP exp) C[As]([H])C#CI 25Pred
IC1[AsH]C=C119075241.891C3H4AsI2-iodo-1,2-dihydroarseteN95IC1[As]([H])C=C1InChI=1S/C3H4AsI/c5-3-1-2-4-3/h1-4HInChIKey=DCGYBXLDHXUYAX-UHFFFAOYSA-N183.4Ex 183.44(BP est) 5.31(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C=C1 5.3Pred
IC1=C[AsH]C119076241.891C3H4AsI3-iodo-1,2-dihydroarseteN95IC1=C[As]([H])C1InChI=1S/C3H4AsI/c5-3-1-4-2-3/h1,4H,2H2InChIKey=CMUJUBWVLTZVNP-UHFFFAOYSA-N187.6Ex 187.63(BP est) 14.91(MP est) ----(BP exp) ----(MP exp) IC1=C[As]([H])C1 14.9Pred
IC1=CC[AsH]119077241.891C3H4AsI4-iodo-1,2-dihydroarseteN95IC1=CC[As]([H])1InChI=1S/C3H4AsI/c5-3-1-2-4-3/h1,4H,2H2InChIKey=ALPIBMJJEVPNJU-UHFFFAOYSA-N187.6Ex 187.63(BP est) 14.91(MP est) ----(BP exp) ----(MP exp) IC1=CC[As]([H])1 14.9Pred
IC[AsH]C#C19078241.891C3H4AsIethynyl(iodomethyl)arsaneN95IC[As]([H])C#CInChI=1S/C3H4AsI/c1-2-4-3-5/h1,4H,3H2InChIKey=KABSHEREBYNWSA-UHFFFAOYSA-N184.5Ex 184.46(BP est) 19.74(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C#C 19.7Pred
O[As](O)C(I)=C19079261.878C2H4AsIO2(1-iodovinyl)arsonous acidN106O[As](O)C(I)=CInChI=1S/C2H4AsIO2/c1-2(4)3(5)6/h5-6H,1H2InChIKey=NFRBIUVJDFMBLK-UHFFFAOYSA-N309.0Ex 308.95(BP est) 71.74(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)=C 71.7Pred
O[As](O)C=CI19080261.878C2H4AsIO2(2-iodovinyl)arsonous acidN106O[As](O)C=CIInChI=1S/C2H4AsIO2/c4-2-1-3(5)6/h1-2,5-6HInChIKey=YMBKQFHVVIRVLW-UHFFFAOYSA-N318.0Ex 318.02(BP est) 79.71(MP est) ----(BP exp) ----(MP exp) O[As](O)C=CI 79.7Pred
IC(C=C)[AsH2]19081243.907C3H6AsI(1-iodoallyl)arsaneN115IC(C=C)[As]([H])([H])InChI=1S/C3H6AsI/c1-2-3(4)5/h2-3H,1,4H2InChIKey=HIPRSJJAUQGUHI-UHFFFAOYSA-N164.8Ex 164.78(BP est) -9.68(MP est) ----(BP exp) ----(MP exp) IC(C=C)[As]([H])([H]) -9.7Pred
C[AsH]C(I)=C19082243.907C3H6AsI(1-iodovinyl)(methyl)arsaneN115C[As]([H])C(I)=CInChI=1S/C3H6AsI/c1-3(5)4-2/h4H,1H2,2H3InChIKey=PFDMZGGFUMIRCK-UHFFFAOYSA-N169.8Ex 169.84(BP est) -15.87(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)=C -15.9Pred
[AsH2]CC(I)=C19083243.907C3H6AsI(2-iodoallyl)arsaneN115[As]([H])([H])CC(I)=CInChI=1S/C3H6AsI/c1-3(5)2-4/h1-2,4H2InChIKey=VNBQJJOOCJKLHD-UHFFFAOYSA-N171.8Ex 171.80(BP est) -7.11(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)=C -7.1Pred
C[AsH]C=CI19084243.907C3H6AsI(2-iodovinyl)(methyl)arsaneN115C[As]([H])C=CIInChI=1S/C3H6AsI/c1-4-2-3-5/h2-4H,1H3InChIKey=LTYHHYKGFNAYSR-UHFFFAOYSA-N183.6Ex 183.57(BP est) -6.54(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=CI -6.5Pred
[AsH2]CC=CI19085243.907C3H6AsI(3-iodoallyl)arsaneN115[As]([H])([H])CC=CIInChI=1S/C3H6AsI/c4-2-1-3-5/h1,3H,2,4H2InChIKey=KBZPERQVGUHNDB-UHFFFAOYSA-N185.5Ex 185.48(BP est) 2.20(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=CI 2.2Pred
IC[AsH]C=C19086243.907C3H6AsI(iodomethyl)(vinyl)arsaneN115IC[As]([H])C=CInChI=1S/C3H6AsI/c1-2-4-3-5/h2,4H,1,3H2InChIKey=LEDCCTHPGCSTLG-UHFFFAOYSA-N175.6Ex 175.61(BP est) -7.21(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C=C -7.2Pred
IC[As]1CC119087243.907C3H6AsI1-(iodomethyl)arsiraneN115IC[As]1CC1InChI=1S/C3H6AsI/c5-3-4-1-2-4/h1-3H2InChIKey=OTTKGWGRUZNVKH-UHFFFAOYSA-N182.9Ex 182.91(BP est) 0.47(MP est) ----(BP exp) ----(MP exp) IC[As]1CC1 0.5Pred
C[As]1CC1I19088243.907C3H6AsI2-iodo-1-methylarsiraneN115C[As]1CC1IInChI=1S/C3H6AsI/c1-4-2-3(4)5/h3H,2H2,1H3InChIKey=LQSDGSPWWZSOGP-UHFFFAOYSA-N176.9Ex 176.88(BP est) -3.41(MP est) ----(BP exp) ----(MP exp) C[As]1CC1I -3.4Pred
IC1[AsH]CC119089243.907C3H6AsI2-iodoarsetaneN115IC1[As]([H])CC1InChI=1S/C3H6AsI/c5-3-1-2-4-3/h3-4H,1-2H2InChIKey=QVGUIRKNLHIOCL-UHFFFAOYSA-N180.7Ex 180.72(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])CC1 4.1Pred
IC1C[AsH]C119090243.907C3H6AsI3-iodoarsetaneN115IC1C[As]([H])C1InChI=1S/C3H6AsI/c5-3-1-4-2-3/h3-4H,1-2H2InChIKey=GQFHWCOZHGZSRF-UHFFFAOYSA-N180.7Ex 180.72(BP est) 4.13(MP est) ----(BP exp) ----(MP exp) IC1C[As]([H])C1 4.1Pred
O[As](O)C(C)I19091263.894C2H6AsIO2(1-iodoethyl)arsonous acidN126O[As](O)C(C)IInChI=1S/C2H6AsIO2/c1-2(4)3(5)6/h2,5-6H,1H3InChIKey=RQPHWCSYBNMKLW-UHFFFAOYSA-N305.3Ex 305.32(BP est) 71.04(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C)I 71Pred
O[As](O)CCI19092263.894C2H6AsIO2(2-iodoethyl)arsonous acidN126O[As](O)CCIInChI=1S/C2H6AsIO2/c4-2-1-3(5)6/h5-6H,1-2H2InChIKey=BEFNSLVXBZSZQD-UHFFFAOYSA-N313.8Ex 313.80(BP est) 81.02(MP est) ----(BP exp) ----(MP exp) O[As](O)CCI 81Pred
C[AsH]C(I)C19093245.923C3H8AsI(1-iodoethyl)(methyl)arsaneN135C[As]([H])C(I)CInChI=1S/C3H8AsI/c1-3(5)4-2/h3-4H,1-2H3InChIKey=VSZDYNJCZDOYQA-UHFFFAOYSA-N164.4Ex 164.40(BP est) -17.10(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)C -17.1Pred
CC(CI)[AsH2]19094245.923C3H8AsI(1-iodopropan-2-yl)arsaneN135CC(CI)[As]([H])([H])InChI=1S/C3H8AsI/c1-3(4)2-5/h3H,2,4H2,1H3InChIKey=GEQZGEPAHDHMOE-UHFFFAOYSA-N166.4Ex 166.38(BP est) -8.34(MP est) ----(BP exp) ----(MP exp) CC(CI)[As]([H])([H]) -8.3Pred
IC(CC)[AsH2]19095245.923C3H8AsI(1-iodopropyl)arsaneN135IC(CC)[As]([H])([H])InChI=1S/C3H8AsI/c1-2-3(4)5/h3H,2,4H2,1H3InChIKey=XWTJOFOARRGWFU-UHFFFAOYSA-N166.4Ex 166.38(BP est) -8.34(MP est) ----(BP exp) ----(MP exp) IC(CC)[As]([H])([H]) -8.3Pred
C[AsH]CCI19096245.923C3H8AsI(2-iodoethyl)(methyl)arsaneN135C[As]([H])CCIInChI=1S/C3H8AsI/c1-4-2-3-5/h4H,2-3H2,1H3InChIKey=ZFIVXMPZHCHAKY-UHFFFAOYSA-N177.2Ex 177.17(BP est) -5.87(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCI -5.9Pred
IC([AsH2])(C)C19097245.923C3H8AsI(2-iodopropan-2-yl)arsaneN135IC([As]([H])([H]))(C)CInChI=1S/C3H8AsI/c1-3(2,4)5/h4H2,1-2H3InChIKey=CVPFGUCCOHKNPV-UHFFFAOYSA-N157.8Ex 157.83(BP est) -2.12(MP est) ----(BP exp) ----(MP exp) IC([As]([H])([H]))(C)C -2.1Pred
IC(C[AsH2])C19098245.923C3H8AsI(2-iodopropyl)arsaneN135IC(C[As]([H])([H]))CInChI=1S/C3H8AsI/c1-3(5)2-4/h3H,2,4H2,1H3InChIKey=GSQAZGYKFCPUFH-UHFFFAOYSA-N166.4Ex 166.38(BP est) -8.34(MP est) ----(BP exp) ----(MP exp) IC(C[As]([H])([H]))C -8.3Pred
[AsH2]CCCI19099245.923C3H8AsI(3-iodopropyl)arsaneN135[As]([H])([H])CCCIInChI=1S/C3H8AsI/c4-2-1-3-5/h1-4H2InChIKey=GJHQKTUNSNCYDD-UHFFFAOYSA-N179.1Ex 179.10(BP est) 2.88(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCCI 2.9Pred
C[As](C)CI19100245.923C3H8AsI(iodomethyl)dimethylarsaneN135C[As](C)CIInChI=1S/C3H8AsI/c1-4(2)3-5/h3H2,1-2H3InChIKey=CMKQNFMUIPILJB-UHFFFAOYSA-N175.2Ex 175.23(BP est) -14.62(MP est) ----(BP exp) ----(MP exp) C[As](C)CI -14.6Pred
IC[AsH]CC19101245.923C3H8AsIethyl(iodomethyl)arsaneN135IC[As]([H])CCInChI=1S/C3H8AsI/c1-2-4-3-5/h4H,2-3H2,1H3InChIKey=CTXRKHDSJOJEHR-UHFFFAOYSA-N177.2Ex 177.17(BP est) -5.87(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CC -5.9Pred
[AsH2]C(F)=CI19102247.87C2H3AsFI(1-fluoro-2-iodovinyl)arsaneN85[As]([H])([H])C(F)=CIInChI=1S/C2H3AsFI/c3-2(4)1-5/h1H,3H2InChIKey=MIEOFKUOUCUXGA-UHFFFAOYSA-N160.7Ex 160.70(BP est) -17.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=CI -17.4Pred
[AsH2]C(I)=CF19103247.87C2H3AsFI(2-fluoro-1-iodovinyl)arsaneN85[As]([H])([H])C(I)=CFInChI=1S/C2H3AsFI/c3-2(5)1-4/h1H,3H2InChIKey=IVJAGKWYFFSWSB-UHFFFAOYSA-N160.7Ex 160.70(BP est) -17.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=CF -17.4Pred
[AsH2]C=C(I)F19104247.87C2H3AsFI(2-fluoro-2-iodovinyl)arsaneN85[As]([H])([H])C=C(I)FInChI=1S/C2H3AsFI/c3-1-2(4)5/h1H,3H2InChIKey=IARBYBQQIJAPKW-UHFFFAOYSA-N160.7Ex 160.70(BP est) -17.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(I)F -17.4Pred
FC1(I)[AsH]C119105247.87C2H3AsFI2-fluoro-2-iodoarsiraneN85FC1(I)[As]([H])C1InChI=1S/C2H3AsFI/c4-2(5)1-3-2/h3H,1H2InChIKey=WHGXCFHVDRFNSY-UHFFFAOYSA-N148.1Ex 148.07(BP est) 2.97(MP est) ----(BP exp) ----(MP exp) FC1(I)[As]([H])C1 3Pred
IC1[AsH]C1F19106247.87C2H3AsFI2-fluoro-3-iodoarsiraneN85IC1[As]([H])C1FInChI=1S/C2H3AsFI/c4-1-2(5)3-1/h1-3HInChIKey=CCPYSTAPPRETLV-UHFFFAOYSA-N153.3Ex 153.31(BP est) -9.57(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1F -9.6Pred
BrC(Br)[AsH2]19107249.765CH3AsBr2(dibromomethyl)arsaneN74BrC(Br)[As]([H])([H])InChI=1S/CH3AsBr2/c2-1(3)4/h1H,2H2InChIKey=BJCYTQHNCIRLBN-UHFFFAOYSA-N161.7Ex 161.67(BP est) 9.79(MP est) ----(BP exp) ----(MP exp) BrC(Br)[As]([H])([H]) 9.8Pred
O[As](O)C(I)F19108267.857CH3AsFIO2(fluoroiodomethyl)arsonous acidN96O[As](O)C(I)FInChI=1S/CH3AsFIO2/c3-1(4)2(5)6/h1,5-6HInChIKey=XVXCNMVHYKXXLT-UHFFFAOYSA-N292.0Ex 292.00(BP est) 61.81(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)F 61.8Pred
[AsH2]C(F)(I)C19109249.886C2H5AsFI(1-fluoro-1-iodoethyl)arsaneN105[As]([H])([H])C(F)(I)CInChI=1S/C2H5AsFI/c1-2(3,4)5/h3H2,1H3InChIKey=YQKRWUVPNWFCNO-UHFFFAOYSA-N137.9Ex 137.85(BP est) -13.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)C -13.3Pred
[AsH2]C(CI)F19110249.886C2H5AsFI(1-fluoro-2-iodoethyl)arsaneN105[As]([H])([H])C(CI)FInChI=1S/C2H5AsFI/c3-2(4)1-5/h2H,1,3H2InChIKey=RIDSWCCIUMOKTO-UHFFFAOYSA-N146.7Ex 146.72(BP est) -19.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CI)F -19.4Pred
[AsH2]C(CF)I19111249.886C2H5AsFI(2-fluoro-1-iodoethyl)arsaneN105[As]([H])([H])C(CF)IInChI=1S/C2H5AsFI/c3-2(5)1-4/h2H,1,3H2InChIKey=DIXXQXLXHAWBEA-UHFFFAOYSA-N146.7Ex 146.72(BP est) -19.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CF)I -19.4Pred
[AsH2]CC(I)F19112249.886C2H5AsFI(2-fluoro-2-iodoethyl)arsaneN105[As]([H])([H])CC(I)FInChI=1S/C2H5AsFI/c3-1-2(4)5/h2H,1,3H2InChIKey=WYXCEVKPSIZVJW-UHFFFAOYSA-N146.7Ex 146.72(BP est) -19.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)F -19.4Pred
C[AsH]C(I)F19113249.886C2H5AsFI(fluoroiodomethyl)(methyl)arsaneN105C[As]([H])C(I)FInChI=1S/C2H5AsFI/c1-3-2(4)5/h2-3H,1H3InChIKey=NDABTKXWMGQPJE-UHFFFAOYSA-N144.7Ex 144.66(BP est) -28.20(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)F -28.2Pred
IC[AsH]CF19114249.886C2H5AsFI(fluoromethyl)(iodomethyl)arsaneN105IC[As]([H])CFInChI=1S/C2H5AsFI/c4-1-3-2-5/h3H,1-2H2InChIKey=LKCKBPKLKYTKDM-UHFFFAOYSA-N157.9Ex 157.93(BP est) -16.83(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CF -16.8Pred
[AsH2]C(Br)=C(Cl)Cl19115251.764C2H2AsBrCl2(1-bromo-2,2-dichlorovinyl)arsaneN86[As]([H])([H])C(Br)=C(Cl)ClInChI=1S/C2H2AsBrCl2/c3-1(4)2(5)6/h3H2InChIKey=UJOCMRVMUQSPHB-UHFFFAOYSA-N185.3Ex 185.32(BP est) 13.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(Cl)Cl 13.4Pred
[AsH2]C(Cl)=C(Cl)Br19116251.764C2H2AsBrCl2(2-bromo-1,2-dichlorovinyl)arsaneN86[As]([H])([H])C(Cl)=C(Cl)BrInChI=1S/C2H2AsBrCl2/c3-1(5)2(4)6/h3H2InChIKey=FBFXXJYEARTIQE-UHFFFAOYSA-N185.3Ex 185.32(BP est) 13.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(Cl)Br 13.4Pred
ClC1[AsH]C1(Br)Cl19117251.764C2H2AsBrCl22-bromo-2,3-dichloroarsiraneN86ClC1[As]([H])C1(Br)ClInChI=1S/C2H2AsBrCl2/c4-2(6)1(5)3-2/h1,3HInChIKey=MGYKTJDAHPFLPK-UHFFFAOYSA-N187.9Ex 187.94(BP est) 19.53(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(Br)Cl 19.5Pred
BrC1[AsH]C1(Cl)Cl19118251.764C2H2AsBrCl23-bromo-2,2-dichloroarsiraneN86BrC1[As]([H])C1(Cl)ClInChI=1S/C2H2AsBrCl2/c4-1-2(5,6)3-1/h1,3HInChIKey=RXPLOPZIQXRFMJ-UHFFFAOYSA-N176.7Ex 176.68(BP est) 14.60(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(Cl)Cl 14.6Pred
C#C[AsH]C#CI19119251.886C4H2AsIethynyl(iodoethynyl)arsaneN86C#C[As]([H])C#CIInChI=1S/C4H2AsI/c1-2-5-3-4-6/h1,5HInChIKey=QVSRXRYCYKDESB-UHFFFAOYSA-N218.6Ex 218.64(BP est) 51.20(MP est) ----(BP exp) ----(MP exp) C#C[As]([H])C#CI 51.2Pred
ClC(I)[AsH2]19120252.311CH3AsClI(chloroiodomethyl)arsaneN74ClC(I)[As]([H])([H])InChI=1S/CH3AsClI/c2-1(3)4/h1H,2H2InChIKey=XQIBJWKOVRFBES-UHFFFAOYSA-N169.2Ex 169.20(BP est) -3.82(MP est) ----(BP exp) ----(MP exp) ClC(I)[As]([H])([H]) -3.8Pred
O[As](O)C(Br)(Cl)Cl19121271.751CH2AsBrCl2O2(bromodichloromethyl)arsonous acidN97O[As](O)C(Br)(Cl)ClInChI=1S/CH2AsBrCl2O2/c3-1(4,5)2(6)7/h6-7HInChIKey=ISGIEOGEESJQGL-UHFFFAOYSA-N309.9Ex 309.85(BP est) 93.24(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Cl)Cl 93.2Pred
[AsH2]C(Br)(Cl)CCl19122253.78C2H4AsBrCl2(1-bromo-1,2-dichloroethyl)arsaneN106[As]([H])([H])C(Br)(Cl)CClInChI=1S/C2H4AsBrCl2/c3-2(4,6)1-5/h1,3H2InChIKey=WPTWZRCYVAVOHF-UHFFFAOYSA-N195.6Ex 195.61(BP est) 22.89(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Cl)CCl 22.9Pred
[AsH2]C(C(Cl)Cl)Br19123253.78C2H4AsBrCl2(1-bromo-2,2-dichloroethyl)arsaneN106[As]([H])([H])C(C(Cl)Cl)BrInChI=1S/C2H4AsBrCl2/c3-1(4)2(5)6/h1-2H,3H2InChIKey=IJGZYNZRPSRYJJ-UHFFFAOYSA-N191.4Ex 191.41(BP est) 16.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)Cl)Br 16.6Pred
[AsH2]C(Cl)(Cl)CBr19124253.78C2H4AsBrCl2(2-bromo-1,1-dichloroethyl)arsaneN106[As]([H])([H])C(Cl)(Cl)CBrInChI=1S/C2H4AsBrCl2/c3-2(5,6)1-4/h1,3H2InChIKey=WQDPVTQJTVWVBH-UHFFFAOYSA-N173.2Ex 173.16(BP est) 27.51(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(Cl)CBr 27.5Pred
[AsH2]C(C(Cl)Br)Cl19125253.78C2H4AsBrCl2(2-bromo-1,2-dichloroethyl)arsaneN106[As]([H])([H])C(C(Cl)Br)ClInChI=1S/C2H4AsBrCl2/c3-1(5)2(4)6/h1-2H,3H2InChIKey=XOQGXWDCOSDNNP-UHFFFAOYSA-N191.4Ex 191.41(BP est) 16.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)Br)Cl 16.6Pred
[AsH2]CC(Br)(Cl)Cl19126253.78C2H4AsBrCl2(2-bromo-2,2-dichloroethyl)arsaneN106[As]([H])([H])CC(Br)(Cl)ClInChI=1S/C2H4AsBrCl2/c3-1-2(4,5)6/h1,3H2InChIKey=NYWOZPILINEKBM-UHFFFAOYSA-N173.2Ex 173.16(BP est) 27.51(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Cl)Cl 27.5Pred
ClC[AsH]C(Cl)Br19127253.78C2H4AsBrCl2(bromochloromethyl)(chloromethyl)arsaneN106ClC[As]([H])C(Cl)BrInChI=1S/C2H4AsBrCl2/c4-2(6)3-1-5/h2-3H,1H2InChIKey=SXHURFHBGKDDEP-UHFFFAOYSA-N212.3Ex 212.34(BP est) 22.05(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(Cl)Br 22.1Pred
C[AsH]C(Cl)(Br)Cl19128253.78C2H4AsBrCl2(bromodichloromethyl)(methyl)arsaneN106C[As]([H])C(Cl)(Br)ClInChI=1S/C2H4AsBrCl2/c1-3-2(4,5)6/h3H,1H3InChIKey=VLTQPOILBPLACU-UHFFFAOYSA-N171.2Ex 171.20(BP est) 18.75(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(Br)Cl 18.8Pred
BrC[AsH]C(Cl)Cl19129253.78C2H4AsBrCl2(bromomethyl)(dichloromethyl)arsaneN106BrC[As]([H])C(Cl)ClInChI=1S/C2H4AsBrCl2/c4-1-3-2(5)6/h2-3H,1H2InChIKey=QAEBLQNWRIAFKW-UHFFFAOYSA-N201.7Ex 201.65(BP est) 18.93(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(Cl)Cl 18.9Pred
[AsH2]C(F)(F)I19130253.85CH2AsF2I(difluoroiodomethyl)arsaneN75[As]([H])([H])C(F)(F)IInChI=1S/CH2AsF2I/c2-1(3,4)5/h2H2InChIKey=ZYKCJVBNKWAONK-UHFFFAOYSA-N117.1Ex 117.13(BP est) -24.68(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)I -24.7Pred
C=C[AsH]C#CI19131253.902C4H4AsI(iodoethynyl)(vinyl)arsaneN106C=C[As]([H])C#CIInChI=1S/C4H4AsI/c1-2-5-3-4-6/h2,5H,1H2InChIKey=GMYQBOMMQNHHEG-UHFFFAOYSA-N210.5Ex 210.45(BP est) 35.44(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C#CI 35.4Pred
IC#C[As]1CC119132253.902C4H4AsI1-(iodoethynyl)arsiraneN106IC#C[As]1CC1InChI=1S/C4H4AsI/c6-4-3-5-1-2-5/h1-2H2InChIKey=KYWSGULOTGAMFM-UHFFFAOYSA-N217.2Ex 217.21(BP est) 41.17(MP est) ----(BP exp) ----(MP exp) IC#C[As]1CC1 41.2Pred
C#C[As]1CC1I19133253.902C4H4AsI1-ethynyl-2-iodoarsiraneN106C#C[As]1CC1IInChI=1S/C4H4AsI/c1-2-5-3-4(5)6/h1,4H,3H2InChIKey=BQIYJCRBKINJIY-UHFFFAOYSA-N204.3Ex 204.34(BP est) 24.37(MP est) ----(BP exp) ----(MP exp) C#C[As]1CC1I 24.4Pred
IC1=CC=C[AsH]119134253.902C4H4AsI2-iodo-1H-arsoleN106IC1=CC=C[As]([H])1InChI=1S/C4H4AsI/c6-4-2-1-3-5-4/h1-3,5HInChIKey=KMIYKKRXDYALEY-UHFFFAOYSA-N212.0Ex 211.98(BP est) 26.28(MP est) ----(BP exp) ----(MP exp) IC1=CC=C[As]([H])1 26.3Pred
IC1=C[AsH]C=C119135253.902C4H4AsI3-iodo-1H-arsoleN106IC1=C[As]([H])C=C1InChI=1S/C4H4AsI/c6-4-1-2-5-3-4/h1-3,5HInChIKey=KPKPWZROEAGJRB-UHFFFAOYSA-N212.0Ex 211.98(BP est) 26.28(MP est) ----(BP exp) ----(MP exp) IC1=C[As]([H])C=C1 26.3Pred
IC([AsH]C#C)=C19136253.902C4H4AsIethynyl(1-iodovinyl)arsaneN106IC([As]([H])C#C)=CInChI=1S/C4H4AsI/c1-3-5-4(2)6/h1,5H,2H2InChIKey=ZHMQJJIMHHGYJG-UHFFFAOYSA-N197.7Ex 197.71(BP est) 21.38(MP est) ----(BP exp) ----(MP exp) IC([As]([H])C#C)=C 21.4Pred
IC=C[AsH]C#C19137253.902C4H4AsIethynyl(2-iodovinyl)arsaneN106IC=C[As]([H])C#CInChI=1S/C4H4AsI/c1-2-5-3-4-6/h1,3-5HInChIKey=OYJAPQWERKJVSK-UHFFFAOYSA-N210.6Ex 210.64(BP est) 23.43(MP est) ----(BP exp) ----(MP exp) IC=C[As]([H])C#C 23.4Pred
O[As](O)C(C#C)I19138273.889C3H4AsIO2(1-iodoprop-2-yn-1-yl)arsonous acidN117O[As](O)C(C#C)IInChI=1S/C3H4AsIO2/c1-2-3(5)4(6)7/h1,3,6-7HInChIKey=YCNSNHZOKZWCCV-UHFFFAOYSA-N323.9Ex 323.88(BP est) 95.54(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C#C)I 95.5Pred
O[As](O)CC#CI19139273.889C3H4AsIO2(3-iodoprop-2-yn-1-yl)arsonous acidN117O[As](O)CC#CIInChI=1S/C3H4AsIO2/c5-3-1-2-4(6)7/h6-7H,2H2InChIKey=HRJQBNRGDKBZFA-UHFFFAOYSA-N336.3Ex 336.27(BP est) 114.48(MP est) ----(BP exp) ----(MP exp) O[As](O)CC#CI 114.5Pred
C[AsH]C(C#C)I19140255.918C4H6AsI(1-iodoprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])C(C#C)IInChI=1S/C4H6AsI/c1-3-4(6)5-2/h1,4-5H,2H3InChIKey=VNQNGCUXNMMLOU-UHFFFAOYSA-N192.6Ex 192.57(BP est) 20.25(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C#C)I 20.3Pred
C=C[AsH]C(I)=C19141255.918C4H6AsI(1-iodovinyl)(vinyl)arsaneN126C=C[As]([H])C(I)=CInChI=1S/C4H6AsI/c1-3-5-4(2)6/h3,5H,1-2H2InChIKey=YOBCQRXQOPAGIP-UHFFFAOYSA-N189.1Ex 189.11(BP est) -5.49(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C(I)=C -5.5Pred
C=C[AsH]C=CI19142255.918C4H6AsI(2-iodovinyl)(vinyl)arsaneN126C=C[As]([H])C=CIInChI=1S/C4H6AsI/c1-2-5-3-4-6/h2-5H,1H2InChIKey=CHEDHMPTDOOLEA-UHFFFAOYSA-N202.3Ex 202.29(BP est) 3.68(MP est) ----(BP exp) ----(MP exp) C=C[As]([H])C=CI 3.7Pred
C[AsH]CC#CI19143255.918C4H6AsI(3-iodoprop-2-yn-1-yl)(methyl)arsaneN126C[As]([H])CC#CIInChI=1S/C4H6AsI/c1-5-3-2-4-6/h5H,3H2,1H3InChIKey=JETATGRYILKTHQ-UHFFFAOYSA-N211.9Ex 211.90(BP est) 36.51(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC#CI 36.5Pred
C[As](C#CI)C19144255.918C4H6AsI(iodoethynyl)dimethylarsaneN126C[As](C#CI)CInChI=1S/C4H6AsI/c1-5(2)3-4-6/h1-2H3InChIKey=YVNQFZWRWLGHCN-UHFFFAOYSA-N210.1Ex 210.11(BP est) 31.63(MP est) ----(BP exp) ----(MP exp) C[As](C#CI)C 31.6Pred
IC[AsH]CC#C19145255.918C4H6AsI(iodomethyl)(prop-2-yn-1-yl)arsaneN126IC[As]([H])CC#CInChI=1S/C4H6AsI/c1-2-3-5-4-6/h1,5H,3-4H2InChIKey=AMRLVJBRYFFRHT-UHFFFAOYSA-N204.6Ex 204.61(BP est) 22.78(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CC#C 22.8Pred
IC([As]1CC1)=C19146255.918C4H6AsI1-(1-iodovinyl)arsiraneN126IC([As]1CC1)=CInChI=1S/C4H6AsI/c1-4(6)5-2-3-5/h1-3H2InChIKey=CYRBCGGNFUOSDH-UHFFFAOYSA-N196.2Ex 196.20(BP est) 2.13(MP est) ----(BP exp) ----(MP exp) IC([As]1CC1)=C 2.1Pred
IC=C[As]1CC119147255.918C4H6AsI1-(2-iodovinyl)arsiraneN126IC=C[As]1CC1InChI=1S/C4H6AsI/c6-4-3-5-1-2-5/h3-4H,1-2H2InChIKey=KDLGNIOCIBPCJK-UHFFFAOYSA-N209.2Ex 209.17(BP est) 11.23(MP est) ----(BP exp) ----(MP exp) IC=C[As]1CC1 11.2Pred
IC[As]1CC=C119148255.918C4H6AsI1-(iodomethyl)-1,2-dihydroarseteN126IC[As]1CC=C1InChI=1S/C4H6AsI/c6-4-5-2-1-3-5/h1-2H,3-4H2InChIKey=PRAMJMJKMUAUMY-UHFFFAOYSA-N207.5Ex 207.51(BP est) 11.91(MP est) ----(BP exp) ----(MP exp) IC[As]1CC=C1 11.9Pred
C[As]1C(I)C=C119149255.918C4H6AsI2-iodo-1-methyl-1,2-dihydroarseteN126C[As]1C(I)C=C1InChI=1S/C4H6AsI/c1-5-3-2-4(5)6/h2-4H,1H3InChIKey=UXOSZHAWFGEBMJ-UHFFFAOYSA-N201.8Ex 201.80(BP est) 8.12(MP est) ----(BP exp) ----(MP exp) C[As]1C(I)C=C1 8.1Pred
IC1[As](C=C)C119150255.918C4H6AsI2-iodo-1-vinylarsiraneN126IC1[As](C=C)C1InChI=1S/C4H6AsI/c1-2-5-3-4(5)6/h2,4H,1,3H2InChIKey=MFFWPYVAEUYVER-UHFFFAOYSA-N195.9Ex 195.86(BP est) 6.89(MP est) ----(BP exp) ----(MP exp) IC1[As](C=C)C1 6.9Pred
IC1[AsH]C=CC119151255.918C4H6AsI2-iodo-2,3-dihydro-1H-arsoleN126IC1[As]([H])C=CC1InChI=1S/C4H6AsI/c6-4-2-1-3-5-4/h1,3-5H,2H2InChIKey=AJXQRROIZRBAKI-UHFFFAOYSA-N205.4Ex 205.44(BP est) 15.61(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C=CC1 15.6Pred
C[As]1CC(I)=C119152255.918C4H6AsI3-iodo-1-methyl-1,2-dihydroarseteN126C[As]1CC(I)=C1InChI=1S/C4H6AsI/c1-5-2-4(6)3-5/h2H,3H2,1H3InChIKey=YKBTWLXWBYYKPM-UHFFFAOYSA-N205.8Ex 205.83(BP est) 17.68(MP est) ----(BP exp) ----(MP exp) C[As]1CC(I)=C1 17.7Pred
IC1C[AsH]C=C119153255.918C4H6AsI3-iodo-2,3-dihydro-1H-arsoleN126IC1C[As]([H])C=C1InChI=1S/C4H6AsI/c6-4-1-2-5-3-4/h1-2,4-5H,3H2InChIKey=XQCRHIBDDSTIQA-UHFFFAOYSA-N205.4Ex 205.44(BP est) 15.61(MP est) ----(BP exp) ----(MP exp) IC1C[As]([H])C=C1 15.6Pred
C[As]1CC=C1I19154255.918C4H6AsI4-iodo-1-methyl-1,2-dihydroarseteN126C[As]1CC=C1IInChI=1S/C4H6AsI/c1-5-3-2-4(5)6/h2H,3H2,1H3InChIKey=LOGGFVIIVMDJGX-UHFFFAOYSA-N205.8Ex 205.83(BP est) 17.68(MP est) ----(BP exp) ----(MP exp) C[As]1CC=C1I 17.7Pred
IC1=C[AsH]CC119155255.918C4H6AsI4-iodo-2,3-dihydro-1H-arsoleN126IC1=C[As]([H])CC1InChI=1S/C4H6AsI/c6-4-1-2-5-3-4/h3,5H,1-2H2InChIKey=YJQCTAKFYMYDLF-UHFFFAOYSA-N209.4Ex 209.43(BP est) 25.15(MP est) ----(BP exp) ----(MP exp) IC1=C[As]([H])CC1 25.2Pred
IC1=CCC[AsH]119156255.918C4H6AsI5-iodo-2,3-dihydro-1H-arsoleN126IC1=CCC[As]([H])1InChI=1S/C4H6AsI/c6-4-2-1-3-5-4/h2,5H,1,3H2InChIKey=CVEHXSSSNLGQPS-UHFFFAOYSA-N209.4Ex 209.43(BP est) 25.15(MP est) ----(BP exp) ----(MP exp) IC1=CCC[As]([H])1 25.2Pred
CC[AsH]C#CI19157255.918C4H6AsIethyl(iodoethynyl)arsaneN126CC[As]([H])C#CIInChI=1S/C4H6AsI/c1-2-5-3-4-6/h5H,2H2,1H3InChIKey=UZUOTNAQOVPDBN-UHFFFAOYSA-N211.9Ex 211.90(BP est) 36.51(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C#CI 36.5Pred
IC(C)[AsH]C#C19158255.918C4H6AsIethynyl(1-iodoethyl)arsaneN126IC(C)[As]([H])C#CInChI=1S/C4H6AsI/c1-3-5-4(2)6/h1,4-5H,2H3InChIKey=WBQMMMPZXARTGD-UHFFFAOYSA-N192.6Ex 192.57(BP est) 20.25(MP est) ----(BP exp) ----(MP exp) IC(C)[As]([H])C#C 20.3Pred
ICC[AsH]C#C19159255.918C4H6AsIethynyl(2-iodoethyl)arsaneN126ICC[As]([H])C#CInChI=1S/C4H6AsI/c1-2-5-3-4-6/h1,5H,3-4H2InChIKey=QYKXMSJVLIAQEP-UHFFFAOYSA-N204.6Ex 204.61(BP est) 22.78(MP est) ----(BP exp) ----(MP exp) ICC[As]([H])C#C 22.8Pred
C[As](C#C)CI19160255.918C4H6AsIethynyl(iodomethyl)(methyl)arsaneN126C[As](C#C)CIInChI=1S/C4H6AsI/c1-3-5(2)4-6/h1H,4H2,2H3InChIKey=KRUCDKDZCBEIGL-UHFFFAOYSA-N202.8Ex 202.79(BP est) 22.54(MP est) ----(BP exp) ----(MP exp) C[As](C#C)CI 22.5Pred
O[As](O)C(C=C)I19161275.905C3H6AsIO2(1-iodoallyl)arsonous acidN137O[As](O)C(C=C)IInChI=1S/C3H6AsIO2/c1-2-3(5)4(6)7/h2-3,6-7H,1H2InChIKey=KKDICVJLSNSIPX-UHFFFAOYSA-N318.2Ex 318.21(BP est) 79.56(MP est) ----(BP exp) ----(MP exp) O[As](O)C(C=C)I 79.6Pred
O[As](O)CC(I)=C19162275.905C3H6AsIO2(2-iodoallyl)arsonous acidN137O[As](O)CC(I)=CInChI=1S/C3H6AsIO2/c1-3(5)2-4(6)7/h6-7H,1-2H2InChIKey=WYYWZLQINNANOR-UHFFFAOYSA-N322.6Ex 322.62(BP est) 81.37(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(I)=C 81.4Pred
O[As](O)CC=CI19163275.905C3H6AsIO2(3-iodoallyl)arsonous acidN137O[As](O)CC=CIInChI=1S/C3H6AsIO2/c5-3-1-2-4(6)7/h1,3,6-7H,2H2InChIKey=QBPHPAJXIOUORO-UHFFFAOYSA-N331.1Ex 331.10(BP est) 89.16(MP est) ----(BP exp) ----(MP exp) O[As](O)CC=CI 89.2Pred
C[AsH]C(I)C=C19164257.934C4H8AsI(1-iodoallyl)(methyl)arsaneN146C[As]([H])C(I)C=CInChI=1S/C4H8AsI/c1-3-4(6)5-2/h3-5H,1H2,2H3InChIKey=KKZBQFRDTVBVKZ-UHFFFAOYSA-N183.9Ex 183.87(BP est) -6.66(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)C=C -6.7Pred
IC(C)[AsH]C=C19165257.934C4H8AsI(1-iodoethyl)(vinyl)arsaneN146IC(C)[As]([H])C=CInChI=1S/C4H8AsI/c1-3-5-4(2)6/h3-5H,1H2,2H3InChIKey=RAOYHFYJXBRVRA-UHFFFAOYSA-N183.9Ex 183.87(BP est) -6.66(MP est) ----(BP exp) ----(MP exp) IC(C)[As]([H])C=C -6.7Pred
C[As](C(I)=C)C19166257.934C4H8AsI(1-iodovinyl)dimethylarsaneN146C[As](C(I)=C)CInChI=1S/C4H8AsI/c1-4(6)5(2)3/h1H2,2-3H3InChIKey=UGIAFQGNXZRSRB-UHFFFAOYSA-N188.7Ex 188.74(BP est) -12.90(MP est) ----(BP exp) ----(MP exp) C[As](C(I)=C)C -12.9Pred
C[AsH]CC(I)=C19167257.934C4H8AsI(2-iodoallyl)(methyl)arsaneN146C[As]([H])CC(I)=CInChI=1S/C4H8AsI/c1-4(6)3-5-2/h5H,1,3H2,2H3InChIKey=LRWPXFUHDPNXGY-UHFFFAOYSA-N190.6Ex 190.63(BP est) -4.17(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(I)=C -4.2Pred
ICC[AsH]C=C19168257.934C4H8AsI(2-iodoethyl)(vinyl)arsaneN146ICC[As]([H])C=CInChI=1S/C4H8AsI/c1-2-5-3-4-6/h2,5H,1,3-4H2InChIKey=SPUIXQGTMGCYIO-UHFFFAOYSA-N196.1Ex 196.14(BP est) 4.42(MP est) ----(BP exp) ----(MP exp) ICC[As]([H])C=C 4.4Pred
C[As](C=CI)C19169257.934C4H8AsI(2-iodovinyl)dimethylarsaneN146C[As](C=CI)CInChI=1S/C4H8AsI/c1-5(2)3-4-6/h3-4H,1-2H3InChIKey=UDOWHRLXZOAHIM-UHFFFAOYSA-N201.9Ex 201.94(BP est) -3.73(MP est) ----(BP exp) ----(MP exp) C[As](C=CI)C -3.7Pred
C[AsH]CC=CI19170257.934C4H8AsI(3-iodoallyl)(methyl)arsaneN146C[As]([H])CC=CIInChI=1S/C4H8AsI/c1-5-3-2-4-6/h2,4-5H,3H2,1H3InChIKey=FAMSAIDFIHMYFO-UHFFFAOYSA-N203.8Ex 203.76(BP est) 4.99(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC=CI 5Pred
C[As](C=C)CI19171257.934C4H8AsI(iodomethyl)(methyl)(vinyl)arsaneN146C[As](C=C)CIInChI=1S/C4H8AsI/c1-3-5(2)4-6/h3H,1,4H2,2H3InChIKey=PYKQYUFSOZORFD-UHFFFAOYSA-N194.3Ex 194.28(BP est) -4.31(MP est) ----(BP exp) ----(MP exp) C[As](C=C)CI -4.3Pred
IC(C)[As]1CC119172257.934C4H8AsI1-(1-iodoethyl)arsiraneN146IC(C)[As]1CC1InChI=1S/C4H8AsI/c1-4(6)5-2-3-5/h4H,2-3H2,1H3InChIKey=IUJNYQQCISJTGM-UHFFFAOYSA-N191.1Ex 191.05(BP est) 0.98(MP est) ----(BP exp) ----(MP exp) IC(C)[As]1CC1 1Pred
ICC[As]1CC119173257.934C4H8AsI1-(2-iodoethyl)arsiraneN146ICC[As]1CC1InChI=1S/C4H8AsI/c6-4-3-5-1-2-5/h1-4H2InChIKey=LWOSOBLHWDFBJA-UHFFFAOYSA-N203.1Ex 203.13(BP est) 12.01(MP est) ----(BP exp) ----(MP exp) ICC[As]1CC1 12Pred
IC[As]1CCC119174257.934C4H8AsI1-(iodomethyl)arsetaneN146IC[As]1CCC1InChI=1S/C4H8AsI/c6-4-5-2-1-3-5/h1-4H2InChIKey=ONFJZTUHZHPISI-UHFFFAOYSA-N204.9Ex 204.94(BP est) 10.78(MP est) ----(BP exp) ----(MP exp) IC[As]1CCC1 10.8Pred
IC1[As](CC)C119175257.934C4H8AsI1-ethyl-2-iodoarsiraneN146IC1[As](CC)C1InChI=1S/C4H8AsI/c1-2-5-3-4(5)6/h4H,2-3H2,1H3InChIKey=STPUEWPZDNXBPT-UHFFFAOYSA-N197.4Ex 197.36(BP est) 8.20(MP est) ----(BP exp) ----(MP exp) IC1[As](CC)C1 8.2Pred
C[As]1CCC1I19176257.934C4H8AsI2-iodo-1-methylarsetaneN146C[As]1CCC1IInChI=1S/C4H8AsI/c1-5-3-2-4(5)6/h4H,2-3H2,1H3InChIKey=PKXAWSRHAKBLNE-UHFFFAOYSA-N199.2Ex 199.19(BP est) 6.98(MP est) ----(BP exp) ----(MP exp) C[As]1CCC1I 7Pred
IC1[AsH]CCC119177257.934C4H8AsI2-iodoarsolaneN146IC1[As]([H])CCC1InChI=1S/C4H8AsI/c6-4-2-1-3-5-4/h4-5H,1-3H2InChIKey=XBFIWQMXVGGAOO-UHFFFAOYSA-N202.9Ex 202.85(BP est) 14.47(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])CCC1 14.5Pred
C[As]1CC(I)C119178257.934C4H8AsI3-iodo-1-methylarsetaneN146C[As]1CC(I)C1InChI=1S/C4H8AsI/c1-5-2-4(6)3-5/h4H,2-3H2,1H3InChIKey=HQNVOOUEMUNLDO-UHFFFAOYSA-N199.2Ex 199.19(BP est) 6.98(MP est) ----(BP exp) ----(MP exp) C[As]1CC(I)C1 7Pred
IC1CC[AsH]C119179257.934C4H8AsI3-iodoarsolaneN146IC1CC[As]([H])C1InChI=1S/C4H8AsI/c6-4-1-2-5-3-4/h4-5H,1-3H2InChIKey=XKROWNRYDMQORS-UHFFFAOYSA-N202.9Ex 202.85(BP est) 14.47(MP est) ----(BP exp) ----(MP exp) IC1CC[As]([H])C1 14.5Pred
IC[AsH]CC=C19180257.934C4H8AsIallyl(iodomethyl)arsaneN146IC[As]([H])CC=CInChI=1S/C4H8AsI/c1-2-3-5-4-6/h2,5H,1,3-4H2InChIKey=FEIIKRCMRIXRHL-UHFFFAOYSA-N196.1Ex 196.14(BP est) 4.42(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CC=C 4.4Pred
CC[AsH]C(I)=C19181257.934C4H8AsIethyl(1-iodovinyl)arsaneN146CC[As]([H])C(I)=CInChI=1S/C4H8AsI/c1-3-5-4(2)6/h5H,2-3H2,1H3InChIKey=RHJHTCAXBLYSSB-UHFFFAOYSA-N190.6Ex 190.63(BP est) -4.17(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(I)=C -4.2Pred
CC[AsH]C=CI19182257.934C4H8AsIethyl(2-iodovinyl)arsaneN146CC[As]([H])C=CIInChI=1S/C4H8AsI/c1-2-5-3-4-6/h3-5H,2H2,1H3InChIKey=MACDZCMWTWIYON-UHFFFAOYSA-N203.8Ex 203.76(BP est) 4.99(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C=CI 5Pred
[AsH2]C(F)(I)C#C19183259.881C3H3AsFI(1-fluoro-1-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(F)(I)C#CInChI=1S/C3H3AsFI/c1-2-3(4,5)6/h1H,4H2InChIKey=MIKWFJQSUIGVIV-UHFFFAOYSA-N167.5Ex 167.50(BP est) 24.48(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)C#C 24.5Pred
[AsH2]C(C#CI)F19184259.881C3H3AsFI(1-fluoro-3-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CI)FInChI=1S/C3H3AsFI/c4-3(5)1-2-6/h3H,4H2InChIKey=NDAQEAFBTACNEJ-UHFFFAOYSA-N183.7Ex 183.65(BP est) 21.81(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CI)F 21.8Pred
[AsH2]C(C#CF)I19185259.881C3H3AsFI(3-fluoro-1-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CF)IInChI=1S/C3H3AsFI/c4-3(6)1-2-5/h3H,4H2InChIKey=POAHVKUPICJKOH-UHFFFAOYSA-N183.7Ex 183.65(BP est) 21.81(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CF)I 21.8Pred
IC[AsH]C#CF19186259.881C3H3AsFI(fluoroethynyl)(iodomethyl)arsaneN96IC[As]([H])C#CFInChI=1S/C3H3AsFI/c5-2-1-4-3-6/h4H,3H2InChIKey=MIUVDTQNCFLPFC-UHFFFAOYSA-N194.1Ex 194.07(BP est) 26.03(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C#CF 26Pred
FC[AsH]C#CI19187259.881C3H3AsFI(fluoromethyl)(iodoethynyl)arsaneN96FC[As]([H])C#CIInChI=1S/C3H3AsFI/c5-3-4-1-2-6/h4H,3H2InChIKey=SBDQQUOZHUGOMS-UHFFFAOYSA-N194.1Ex 194.07(BP est) 26.03(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C#CI 26Pred
FC1(I)[AsH]C=C119188259.881C3H3AsFI2-fluoro-2-iodo-1,2-dihydroarseteN96FC1(I)[As]([H])C=C1InChI=1S/C3H3AsFI/c5-3(6)1-2-4-3/h1-2,4HInChIKey=DXOZIKASGSWJND-UHFFFAOYSA-N174.5Ex 174.48(BP est) 14.94(MP est) ----(BP exp) ----(MP exp) FC1(I)[As]([H])C=C1 14.9Pred
FC1[AsH]C=C1I19189259.881C3H3AsFI2-fluoro-3-iodo-1,2-dihydroarseteN96FC1[As]([H])C=C1IInChI=1S/C3H3AsFI/c5-3-2(6)1-4-3/h1,3-4HInChIKey=ZLFLBVXSFVYUPP-UHFFFAOYSA-N183.7Ex 183.68(BP est) 11.94(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C=C1I 11.9Pred
FC1[AsH]C(I)=C119190259.881C3H3AsFI2-fluoro-4-iodo-1,2-dihydroarseteN96FC1[As]([H])C(I)=C1InChI=1S/C3H3AsFI/c5-2-1-3(6)4-2/h1-2,4HInChIKey=KYLREUVWOSFAHY-UHFFFAOYSA-N183.7Ex 183.68(BP est) 11.94(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C(I)=C1 11.9Pred
IC1[AsH]C=C1F19191259.881C3H3AsFI3-fluoro-2-iodo-1,2-dihydroarseteN96IC1[As]([H])C=C1FInChI=1S/C3H3AsFI/c5-2-1-4-3(2)6/h1,3-4HInChIKey=KAJNUSOFPWGGKO-UHFFFAOYSA-N183.7Ex 183.68(BP est) 11.94(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C=C1F 11.9Pred
IC1=C(F)C[AsH]119192259.881C3H3AsFI3-fluoro-4-iodo-1,2-dihydroarseteN96IC1=C(F)C[As]([H])1InChI=1S/C3H3AsFI/c5-2-1-4-3(2)6/h4H,1H2InChIKey=FUORJZFIWVTDGO-UHFFFAOYSA-N187.9Ex 187.87(BP est) 21.54(MP est) ----(BP exp) ----(MP exp) IC1=C(F)C[As]([H])1 21.5Pred
IC1[AsH]C(F)=C119193259.881C3H3AsFI4-fluoro-2-iodo-1,2-dihydroarseteN96IC1[As]([H])C(F)=C1InChI=1S/C3H3AsFI/c5-2-1-3(6)4-2/h1,3-4HInChIKey=PKKOIBBTQUJNAU-UHFFFAOYSA-N183.7Ex 183.68(BP est) 11.94(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C(F)=C1 11.9Pred
FC1=C(I)C[AsH]119194259.881C3H3AsFI4-fluoro-3-iodo-1,2-dihydroarseteN96FC1=C(I)C[As]([H])1InChI=1S/C3H3AsFI/c5-3-2(6)1-4-3/h4H,1H2InChIKey=ACRHEFUQQHVUSU-UHFFFAOYSA-N187.9Ex 187.87(BP est) 21.54(MP est) ----(BP exp) ----(MP exp) FC1=C(I)C[As]([H])1 21.5Pred
FC(I)[AsH]C#C19195259.881C3H3AsFIethynyl(fluoroiodomethyl)arsaneN96FC(I)[As]([H])C#CInChI=1S/C3H3AsFI/c1-2-4-3(5)6/h1,3-4HInChIKey=IIXMAPXRQMROCM-UHFFFAOYSA-N173.9Ex 173.94(BP est) 9.47(MP est) ----(BP exp) ----(MP exp) FC(I)[As]([H])C#C 9.5Pred
O[As](O)C(CC)I19196277.921C3H8AsIO2(1-iodopropyl)arsonous acidN157O[As](O)C(CC)IInChI=1S/C3H8AsIO2/c1-2-3(5)4(6)7/h3,6-7H,2H2,1H3InChIKey=SQHHHCXQIFOXIJ-UHFFFAOYSA-N319.2Ex 319.22(BP est) 80.73(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CC)I 80.7Pred
O[As](O)CC(C)I19197277.921C3H8AsIO2(2-iodopropyl)arsonous acidN157O[As](O)CC(C)IInChI=1S/C3H8AsIO2/c1-3(5)2-4(6)7/h3,6-7H,2H2,1H3InChIKey=YCSVKGGQFNRQJO-UHFFFAOYSA-N319.2Ex 319.22(BP est) 80.73(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(C)I 80.7Pred
O[As](O)CCCI19198277.921C3H8AsIO2(3-iodopropyl)arsonous acidN157O[As](O)CCCIInChI=1S/C3H8AsIO2/c5-3-1-2-4(6)7/h6-7H,1-3H2InChIKey=KODIOCKRWMFLRK-UHFFFAOYSA-N327.2Ex 327.16(BP est) 90.55(MP est) ----(BP exp) ----(MP exp) O[As](O)CCCI 90.6Pred
O=[As]1(CI)CC119199259.906C3H6AsIO1-(iodomethyl)arsirane 1-oxideN126O=[As]1(CI)CC1InChI=1S/C3H6AsIO/c5-3-4(6)1-2-4/h1-3H2InChIKey=KGKCWYNQUATSQT-UHFFFAOYSA-N207.8Ex 207.82(BP est) 35.21(MP est) ----(BP exp) ----(MP exp) O=[As]1(CI)CC1 35.2Pred
O=[As]1(C)CC1I19200259.906C3H6AsIO2-iodo-1-methylarsirane 1-oxideN126O=[As]1(C)CC1IInChI=1S/C3H6AsIO/c1-4(6)2-3(4)5/h3H,2H2,1H3InChIKey=CLWWEADOWXMEJF-UHFFFAOYSA-N202.1Ex 202.12(BP est) 31.66(MP est) ----(BP exp) ----(MP exp) O=[As]1(C)CC1I 31.7Pred
C[As](C(C)I)C19201259.95C4H10AsI(1-iodoethyl)dimethylarsaneN166C[As](C(C)I)CInChI=1S/C4H10AsI/c1-4(6)5(2)3/h4H,1-3H3InChIKey=FDPVNROUQRJGCZ-UHFFFAOYSA-N183.5Ex 183.51(BP est) -14.07(MP est) ----(BP exp) ----(MP exp) C[As](C(C)I)C -14.1Pred
C[AsH]C(C)CI19202259.95C4H10AsI(1-iodopropan-2-yl)(methyl)arsaneN166C[As]([H])C(C)CIInChI=1S/C4H10AsI/c1-4(3-6)5-2/h4-5H,3H2,1-2H3InChIKey=WVSFZLMVGUPBEY-UHFFFAOYSA-N185.4Ex 185.41(BP est) -5.33(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)CI -5.3Pred
C[AsH]C(I)CC19203259.95C4H10AsI(1-iodopropyl)(methyl)arsaneN166C[As]([H])C(I)CCInChI=1S/C4H10AsI/c1-3-4(6)5-2/h4-5H,3H2,1-2H3InChIKey=JPZKMLUZUPWTBT-UHFFFAOYSA-N185.4Ex 185.41(BP est) -5.33(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)CC -5.3Pred
C[As](CCI)C19204259.95C4H10AsI(2-iodoethyl)dimethylarsaneN166C[As](CCI)CInChI=1S/C4H10AsI/c1-5(2)3-4-6/h3-4H2,1-2H3InChIKey=SMNIBXNXXJFYGN-UHFFFAOYSA-N195.8Ex 195.79(BP est) -2.99(MP est) ----(BP exp) ----(MP exp) C[As](CCI)C -3Pred
C[AsH]C(C)(I)C19205259.95C4H10AsI(2-iodopropan-2-yl)(methyl)arsaneN166C[As]([H])C(C)(I)CInChI=1S/C4H10AsI/c1-4(2,6)5-3/h5H,1-3H3InChIKey=JOLWQMWWKUIDIS-UHFFFAOYSA-N177.2Ex 177.19(BP est) 0.98(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(C)(I)C 1Pred
C[AsH]CC(I)C19206259.95C4H10AsI(2-iodopropyl)(methyl)arsaneN166C[As]([H])CC(I)CInChI=1S/C4H10AsI/c1-4(6)3-5-2/h4-5H,3H2,1-2H3InChIKey=LLUIZTGRFRFTRJ-UHFFFAOYSA-N185.4Ex 185.41(BP est) -5.33(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(I)C -5.3Pred
C[AsH]CCCI19207259.95C4H10AsI(3-iodopropyl)(methyl)arsaneN166C[As]([H])CCCIInChI=1S/C4H10AsI/c1-5-3-2-4-6/h5H,2-4H2,1H3InChIKey=VSNZPCBPXSVZGW-UHFFFAOYSA-N197.6Ex 197.64(BP est) 5.74(MP est) ----(BP exp) ----(MP exp) C[As]([H])CCCI 5.7Pred
IC[AsH]C(C)C19208259.95C4H10AsI(iodomethyl)(isopropyl)arsaneN166IC[As]([H])C(C)CInChI=1S/C4H10AsI/c1-4(2)5-3-6/h4-5H,3H2,1-2H3InChIKey=CDZYMLOPTJTXSQ-UHFFFAOYSA-N185.4Ex 185.41(BP est) -5.33(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(C)C -5.3Pred
IC[AsH]CCC19209259.95C4H10AsI(iodomethyl)(propyl)arsaneN166IC[As]([H])CCCInChI=1S/C4H10AsI/c1-2-3-5-4-6/h5H,2-4H2,1H3InChIKey=USAZJNSMNCROLJ-UHFFFAOYSA-N197.6Ex 197.64(BP est) 5.74(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CCC 5.7Pred
CC[AsH]C(I)C19210259.95C4H10AsIethyl(1-iodoethyl)arsaneN166CC[As]([H])C(I)CInChI=1S/C4H10AsI/c1-3-5-4(2)6/h4-5H,3H2,1-2H3InChIKey=PADSJVQQAPXYAE-UHFFFAOYSA-N185.4Ex 185.41(BP est) -5.33(MP est) ----(BP exp) ----(MP exp) CC[As]([H])C(I)C -5.3Pred
CC[AsH]CCI19211259.95C4H10AsIethyl(2-iodoethyl)arsaneN166CC[As]([H])CCIInChI=1S/C4H10AsI/c1-2-5-3-4-6/h5H,2-4H2,1H3InChIKey=CDBJDFLQBNVGNE-UHFFFAOYSA-N197.6Ex 197.64(BP est) 5.74(MP est) ----(BP exp) ----(MP exp) CC[As]([H])CCI 5.7Pred
C[As](CC)CI19212259.95C4H10AsIethyl(iodomethyl)(methyl)arsaneN166C[As](CC)CIInChI=1S/C4H10AsI/c1-3-5(2)4-6/h3-4H2,1-2H3InChIKey=GYIYNSZWUXMVRO-UHFFFAOYSA-N195.8Ex 195.79(BP est) -2.99(MP est) ----(BP exp) ----(MP exp) C[As](CC)CI -3Pred
[AsH2]C(Br)=CBr19213261.776C2H3AsBr2(1,2-dibromovinyl)arsaneN85[As]([H])([H])C(Br)=CBrInChI=1S/C2H3AsBr2/c3-2(5)1-4/h1H,3H2InChIKey=BXDCSWAJZQIJJR-UHFFFAOYSA-N195.8Ex 195.80(BP est) 23.37(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=CBr 23.4Pred
[AsH2]C=C(Br)Br19214261.776C2H3AsBr2(2,2-dibromovinyl)arsaneN85[As]([H])([H])C=C(Br)BrInChI=1S/C2H3AsBr2/c3-1-2(4)5/h1H,3H2InChIKey=NWDSIUMMRKXKLR-UHFFFAOYSA-N195.8Ex 195.80(BP est) 23.37(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(Br)Br 23.4Pred
BrC1(Br)[AsH]C119215261.776C2H3AsBr22,2-dibromoarsiraneN85BrC1(Br)[As]([H])C1InChI=1S/C2H3AsBr2/c4-2(5)1-3-2/h3H,1H2InChIKey=BDNMLHXXJCSGMS-UHFFFAOYSA-N184.1Ex 184.06(BP est) 18.88(MP est) ----(BP exp) ----(MP exp) BrC1(Br)[As]([H])C1 18.9Pred
BrC1[AsH]C1Br19216261.776C2H3AsBr22,3-dibromoarsiraneN85BrC1[As]([H])C1BrInChI=1S/C2H3AsBr2/c4-1-2(5)3-1/h1-3HInChIKey=LMIQSKWYPXNWHX-UHFFFAOYSA-N188.9Ex 188.94(BP est) 19.76(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1Br 19.8Pred
O[As](O)C(F)=CI19217279.868C2H3AsFIO2(1-fluoro-2-iodovinyl)arsonous acidN107O[As](O)C(F)=CIInChI=1S/C2H3AsFIO2/c4-2(1-5)3(6)7/h1,6-7HInChIKey=YLPPNQRVJKJWDI-UHFFFAOYSA-N315.6Ex 315.63(BP est) 72.33(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)=CI 72.3Pred
O[As](O)C(I)=CF19218279.868C2H3AsFIO2(2-fluoro-1-iodovinyl)arsonous acidN107O[As](O)C(I)=CFInChI=1S/C2H3AsFIO2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=UIJPGXJJQJJBLP-UHFFFAOYSA-N315.6Ex 315.63(BP est) 72.33(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)=CF 72.3Pred
O[As](O)C=C(I)F19219279.868C2H3AsFIO2(2-fluoro-2-iodovinyl)arsonous acidN107O[As](O)C=C(I)FInChI=1S/C2H3AsFIO2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=NOGUFSMWQCFWNW-UHFFFAOYSA-N315.6Ex 315.63(BP est) 72.33(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(I)F 72.3Pred
O=[As]1(O)CC1I19220261.878C2H4AsIO21-hydroxy-2-iodoarsirane 1-oxideN106O=[As]1(O)CC1IInChI=1S/C2H4AsIO2/c4-2-1-3(2,5)6/h2H,1H2,(H,5,6)InChIKey=YKAUBWZVRZXKTH-UHFFFAOYSA-N265.6Ex 265.60(BP est) 71.84(MP est) ----(BP exp) ----(MP exp) O=[As]1(O)CC1I 71.8Pred
[AsH2]C(F)(I)C=C19221261.897C3H5AsFI(1-fluoro-1-iodoallyl)arsaneN116[As]([H])([H])C(F)(I)C=CInChI=1S/C3H5AsFI/c1-2-3(4,5)6/h2H,1,4H2InChIKey=FIWZJIZCUALUPJ-UHFFFAOYSA-N158.3Ex 158.33(BP est) -2.56(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)C=C -2.6Pred
[AsH2]C(C(I)=C)F19222261.897C3H5AsFI(1-fluoro-2-iodoallyl)arsaneN116[As]([H])([H])C(C(I)=C)FInChI=1S/C3H5AsFI/c1-2(6)3(4)5/h3H,1,4H2InChIKey=PCSBVYXBDHLZPH-UHFFFAOYSA-N161.0Ex 161.01(BP est) -17.47(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)=C)F -17.5Pred
C[AsH]C(F)=CI19223261.897C3H5AsFI(1-fluoro-2-iodovinyl)(methyl)arsaneN116C[As]([H])C(F)=CIInChI=1S/C3H5AsFI/c1-4-3(5)2-6/h2,4H,1H3InChIKey=HXXVDAQDORILOJ-UHFFFAOYSA-N180.0Ex 179.95(BP est) -14.29(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)=CI -14.3Pred
[AsH2]C(C=CI)F19224261.897C3H5AsFI(1-fluoro-3-iodoallyl)arsaneN116[As]([H])([H])C(C=CI)FInChI=1S/C3H5AsFI/c4-3(5)1-2-6/h1-3H,4H2InChIKey=BFTZQFQZFUYUIF-UHFFFAOYSA-N175.0Ex 174.98(BP est) -8.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CI)F -8.1Pred
IC[AsH]C(F)=C19225261.897C3H5AsFI(1-fluorovinyl)(iodomethyl)arsaneN116IC[As]([H])C(F)=CInChI=1S/C3H5AsFI/c1-3(5)4-2-6/h4H,1-2H2InChIKey=OQPHEVCHTMIPQN-UHFFFAOYSA-N171.9Ex 171.92(BP est) -14.97(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(F)=C -15Pred
[AsH2]C(C(F)=C)I19226261.897C3H5AsFI(2-fluoro-1-iodoallyl)arsaneN116[As]([H])([H])C(C(F)=C)IInChI=1S/C3H5AsFI/c1-2(5)3(4)6/h3H,1,4H2InChIKey=RUPSWGCQEDVSHG-UHFFFAOYSA-N161.0Ex 161.01(BP est) -17.47(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)=C)I -17.5Pred
C[AsH]C(I)=CF19227261.897C3H5AsFI(2-fluoro-1-iodovinyl)(methyl)arsaneN116C[As]([H])C(I)=CFInChI=1S/C3H5AsFI/c1-4-3(6)2-5/h2,4H,1H3InChIKey=AHSIMJKXFZEBCO-UHFFFAOYSA-N180.0Ex 179.95(BP est) -14.29(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)=CF -14.3Pred
C[AsH]C=C(I)F19228261.897C3H5AsFI(2-fluoro-2-iodovinyl)(methyl)arsaneN116C[As]([H])C=C(I)FInChI=1S/C3H5AsFI/c1-4-2-3(5)6/h2,4H,1H3InChIKey=CXAUEQHOJHJYII-UHFFFAOYSA-N180.0Ex 179.95(BP est) -14.29(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(I)F -14.3Pred
[AsH2]CC(F)=CI19229261.897C3H5AsFI(2-fluoro-3-iodoallyl)arsaneN116[As]([H])([H])CC(F)=CIInChI=1S/C3H5AsFI/c4-1-3(5)2-6/h2H,1,4H2InChIKey=HTCLIOBGENKBGV-UHFFFAOYSA-N181.9Ex 181.87(BP est) -5.54(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)=CI -5.5Pred
IC[AsH]C=CF19230261.897C3H5AsFI(2-fluorovinyl)(iodomethyl)arsaneN116IC[As]([H])C=CFInChI=1S/C3H5AsFI/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=ZHVXTQXENDMPKF-UHFFFAOYSA-N185.6Ex 185.59(BP est) -5.66(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C=CF -5.7Pred
[AsH2]C(C=CF)I19231261.897C3H5AsFI(3-fluoro-1-iodoallyl)arsaneN116[As]([H])([H])C(C=CF)IInChI=1S/C3H5AsFI/c4-3(6)1-2-5/h1-3H,4H2InChIKey=CEZWRJBZZPKWIM-UHFFFAOYSA-N175.0Ex 174.98(BP est) -8.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CF)I -8.1Pred
[AsH2]CC(I)=CF19232261.897C3H5AsFI(3-fluoro-2-iodoallyl)arsaneN116[As]([H])([H])CC(I)=CFInChI=1S/C3H5AsFI/c4-1-3(6)2-5/h2H,1,4H2InChIKey=YRXWNTMEJAMFLI-UHFFFAOYSA-N181.9Ex 181.87(BP est) -5.54(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)=CF -5.5Pred
[AsH2]CC=C(I)F19233261.897C3H5AsFI(3-fluoro-3-iodoallyl)arsaneN116[As]([H])([H])CC=C(I)FInChI=1S/C3H5AsFI/c4-2-1-3(5)6/h1H,2,4H2InChIKey=ZJNOHNFLOJJAHL-UHFFFAOYSA-N181.9Ex 181.87(BP est) -5.54(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(I)F -5.5Pred
FC(I)[AsH]C=C19234261.897C3H5AsFI(fluoroiodomethyl)(vinyl)arsaneN116FC(I)[As]([H])C=CInChI=1S/C3H5AsFI/c1-2-4-3(5)6/h2-4H,1H2InChIKey=BSNBWJISZMTVNT-UHFFFAOYSA-N164.9Ex 164.89(BP est) -17.54(MP est) ----(BP exp) ----(MP exp) FC(I)[As]([H])C=C -17.5Pred
FC[AsH]C(I)=C19235261.897C3H5AsFI(fluoromethyl)(1-iodovinyl)arsaneN116FC[As]([H])C(I)=CInChI=1S/C3H5AsFI/c1-3(6)4-2-5/h4H,1-2H2InChIKey=BGCHDVURFDHUEB-UHFFFAOYSA-N171.9Ex 171.92(BP est) -14.97(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(I)=C -15Pred
FC[AsH]C=CI19236261.897C3H5AsFI(fluoromethyl)(2-iodovinyl)arsaneN116FC[As]([H])C=CIInChI=1S/C3H5AsFI/c5-3-4-1-2-6/h1-2,4H,3H2InChIKey=FTTRCHXTYDKYGU-UHFFFAOYSA-N185.6Ex 185.59(BP est) -5.66(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C=CI -5.7Pred
FC(I)[As]1CC119237261.897C3H5AsFI1-(fluoroiodomethyl)arsiraneN116FC(I)[As]1CC1InChI=1S/C3H5AsFI/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=WDUKQOMAJCUARY-UHFFFAOYSA-N172.4Ex 172.35(BP est) -9.82(MP est) ----(BP exp) ----(MP exp) FC(I)[As]1CC1 -9.8Pred
FC[As]1CC1I19238261.897C3H5AsFI1-(fluoromethyl)-2-iodoarsiraneN116FC[As]1CC1IInChI=1S/C3H5AsFI/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=JPICSVJIZRAOIZ-UHFFFAOYSA-N178.9Ex 178.92(BP est) -2.52(MP est) ----(BP exp) ----(MP exp) FC[As]1CC1I -2.5Pred
IC[As]1CC1F19239261.897C3H5AsFI2-fluoro-1-(iodomethyl)arsiraneN116IC[As]1CC1FInChI=1S/C3H5AsFI/c5-3-1-4(3)2-6/h3H,1-2H2InChIKey=VFTWRWFSDSSIKC-UHFFFAOYSA-N178.9Ex 178.92(BP est) -2.52(MP est) ----(BP exp) ----(MP exp) IC[As]1CC1F -2.5Pred
C[As]1CC1(F)I19240261.897C3H5AsFI2-fluoro-2-iodo-1-methylarsiraneN116C[As]1CC1(F)IInChI=1S/C3H5AsFI/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=YTLDQBHYAWGHKY-UHFFFAOYSA-N167.8Ex 167.80(BP est) 6.18(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(F)I 6.2Pred
FC1(I)[AsH]CC119241261.897C3H5AsFI2-fluoro-2-iodoarsetaneN116FC1(I)[As]([H])CC1InChI=1S/C3H5AsFI/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=PGGHDCFUJFSNDU-UHFFFAOYSA-N171.7Ex 171.71(BP est) 13.75(MP est) ----(BP exp) ----(MP exp) FC1(I)[As]([H])CC1 13.8Pred
C[As]1C(I)C1F19242261.897C3H5AsFI2-fluoro-3-iodo-1-methylarsiraneN116C[As]1C(I)C1FInChI=1S/C3H5AsFI/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=UCRDHYNSHDYTMO-UHFFFAOYSA-N172.8Ex 172.84(BP est) -6.41(MP est) ----(BP exp) ----(MP exp) C[As]1C(I)C1F -6.4Pred
FC1[AsH]CC1I19243261.897C3H5AsFI2-fluoro-3-iodoarsetaneN116FC1[As]([H])CC1IInChI=1S/C3H5AsFI/c5-3-2(6)1-4-3/h2-4H,1H2InChIKey=QWDLFOVROUVFBM-UHFFFAOYSA-N176.7Ex 176.71(BP est) 1.14(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])CC1I 1.1Pred
IC1[AsH]C(F)C119244261.897C3H5AsFI2-fluoro-4-iodoarsetaneN116IC1[As]([H])C(F)C1InChI=1S/C3H5AsFI/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=RDOBCPWOBRRVSF-UHFFFAOYSA-N176.7Ex 176.71(BP est) 1.14(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C(F)C1 1.1Pred
IC1[AsH]CC1F19245261.897C3H5AsFI3-fluoro-2-iodoarsetaneN116IC1[As]([H])CC1FInChI=1S/C3H5AsFI/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=YITDWHXTWSOJDQ-UHFFFAOYSA-N176.7Ex 176.71(BP est) 1.14(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])CC1F 1.1Pred
FC1(I)C[AsH]C119246261.897C3H5AsFI3-fluoro-3-iodoarsetaneN116FC1(I)C[As]([H])C1InChI=1S/C3H5AsFI/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=JCOIRALLVJXQRV-UHFFFAOYSA-N171.7Ex 171.71(BP est) 13.75(MP est) ----(BP exp) ----(MP exp) FC1(I)C[As]([H])C1 13.8Pred
O=[As](C)(C)CI19247261.922C3H8AsIO(iodomethyl)dimethylarsine oxideN146O=[As](C)(C)CIInChI=1S/C3H8AsIO/c1-4(2,6)3-5/h3H2,1-2H3InChIKey=USYFGTNTCXOOSS-UHFFFAOYSA-N200.6Ex 200.56(BP est) 25.61(MP est) ----(BP exp) ----(MP exp) O=[As](C)(C)CI 25.6Pred
O[As](O)C(Br)Br19248281.763CH3AsBr2O2(dibromomethyl)arsonous acidN96O[As](O)C(Br)BrInChI=1S/CH3AsBr2O2/c3-1(4)2(5)6/h1,5-6HInChIKey=SRKAMONVDAJDFA-UHFFFAOYSA-N316.3Ex 316.25(BP est) 89.91(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)Br 89.9Pred
[AsH2]C(Br)(Br)C19249263.792C2H5AsBr2(1,1-dibromoethyl)arsaneN105[As]([H])([H])C(Br)(Br)CInChI=1S/C2H5AsBr2/c1-2(3,4)5/h3H2,1H3InChIKey=LEOZKDFTVDSABT-UHFFFAOYSA-N174.5Ex 174.53(BP est) 27.89(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)C 27.9Pred
[AsH2]C(CBr)Br19250263.792C2H5AsBr2(1,2-dibromoethyl)arsaneN105[As]([H])([H])C(CBr)BrInChI=1S/C2H5AsBr2/c3-2(5)1-4/h2H,1,3H2InChIKey=SDXHYYJMPRYHCP-UHFFFAOYSA-N182.8Ex 182.80(BP est) 21.59(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CBr)Br 21.6Pred
[AsH2]CC(Br)Br19251263.792C2H5AsBr2(2,2-dibromoethyl)arsaneN105[As]([H])([H])CC(Br)BrInChI=1S/C2H5AsBr2/c3-1-2(4)5/h2H,1,3H2InChIKey=UDGXNWPRYGDXPS-UHFFFAOYSA-N182.8Ex 182.80(BP est) 21.59(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)Br 21.6Pred
C[AsH]C(Br)Br19252263.792C2H5AsBr2(dibromomethyl)(methyl)arsaneN105C[As]([H])C(Br)BrInChI=1S/C2H5AsBr2/c1-3-2(4)5/h2-3H,1H3InChIKey=YZRAOYHEGSCNSF-UHFFFAOYSA-N180.9Ex 180.88(BP est) 12.85(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)Br 12.9Pred
BrC[AsH]CBr19253263.792C2H5AsBr2bis(bromomethyl)arsaneN105BrC[As]([H])CBrInChI=1S/C2H5AsBr2/c4-1-3-2-5/h3H,1-2H2InChIKey=AOWIZJNXGXRQDZ-UHFFFAOYSA-N193.2Ex 193.23(BP est) 23.95(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CBr 24Pred
O[As](O)C(F)(I)C19254281.884C2H5AsFIO2(1-fluoro-1-iodoethyl)arsonous acidN127O[As](O)C(F)(I)CInChI=1S/C2H5AsFIO2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=LDBKERLJTPPFIA-UHFFFAOYSA-N301.0Ex 300.99(BP est) 78.78(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)(I)C 78.8Pred
O[As](O)C(CI)F19255281.884C2H5AsFIO2(1-fluoro-2-iodoethyl)arsonous acidN127O[As](O)C(CI)FInChI=1S/C2H5AsFIO2/c4-2(1-5)3(6)7/h2,6-7H,1H2InChIKey=IXJFRPGZTQLJQC-UHFFFAOYSA-N306.7Ex 306.72(BP est) 71.74(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CI)F 71.7Pred
O[As](O)C(CF)I19256281.884C2H5AsFIO2(2-fluoro-1-iodoethyl)arsonous acidN127O[As](O)C(CF)IInChI=1S/C2H5AsFIO2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=STAOAFASHMSXNY-UHFFFAOYSA-N306.7Ex 306.72(BP est) 71.74(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CF)I 71.7Pred
O[As](O)CC(I)F19257281.884C2H5AsFIO2(2-fluoro-2-iodoethyl)arsonous acidN127O[As](O)CC(I)FInChI=1S/C2H5AsFIO2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=LOFAEIHRECIVET-UHFFFAOYSA-N306.7Ex 306.72(BP est) 71.74(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(I)F 71.7Pred
O=[As](C)(CI)O19258263.894C2H6AsIO2(iodomethyl)(methyl)arsinic acidN126O=[As](C)(CI)OInChI=1S/C2H6AsIO2/c1-3(5,6)2-4/h2H2,1H3,(H,5,6)InChIKey=WBLSGNRKPGTBMS-UHFFFAOYSA-N264.3Ex 264.29(BP est) 65.91(MP est) ----(BP exp) ----(MP exp) O=[As](C)(CI)O 65.9Pred
C[AsH]C(F)(I)C19259263.913C3H7AsFI(1-fluoro-1-iodoethyl)(methyl)arsaneN136C[As]([H])C(F)(I)CInChI=1S/C3H7AsFI/c1-3(5,6)4-2/h4H,1-2H3InChIKey=UKDSNHHIRSPUQD-UHFFFAOYSA-N158.0Ex 157.95(BP est) -9.98(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)(I)C -10Pred
[AsH2]C(F)(I)CC19260263.913C3H7AsFI(1-fluoro-1-iodopropyl)arsaneN136[As]([H])([H])C(F)(I)CCInChI=1S/C3H7AsFI/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=DWIWYXCNTVQUMS-UHFFFAOYSA-N160.0Ex 159.95(BP est) -1.21(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)CC -1.2Pred
C[AsH]C(CI)F19261263.913C3H7AsFI(1-fluoro-2-iodoethyl)(methyl)arsaneN136C[As]([H])C(CI)FInChI=1S/C3H7AsFI/c1-4-3(5)2-6/h3-4H,2H2,1H3InChIKey=ONCBSEFDGXXCIW-UHFFFAOYSA-N166.5Ex 166.49(BP est) -16.19(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CI)F -16.2Pred
[AsH2]C(C(C)I)F19262263.913C3H7AsFI(1-fluoro-2-iodopropyl)arsaneN136[As]([H])([H])C(C(C)I)FInChI=1S/C3H7AsFI/c1-2(6)3(4)5/h2-3H,4H2,1H3InChIKey=FSXPLMNYYFCZHP-UHFFFAOYSA-N155.5Ex 155.46(BP est) -18.73(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)I)F -18.7Pred
[AsH2]C(CCI)F19263263.913C3H7AsFI(1-fluoro-3-iodopropyl)arsaneN136[As]([H])([H])C(CCI)FInChI=1S/C3H7AsFI/c4-3(5)1-2-6/h3H,1-2,4H2InChIKey=GVBQYNLAQBKTTF-UHFFFAOYSA-N168.5Ex 168.47(BP est) -7.43(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCI)F -7.4Pred
IC[AsH]C(C)F19264263.913C3H7AsFI(1-fluoroethyl)(iodomethyl)arsaneN136IC[As]([H])C(C)FInChI=1S/C3H7AsFI/c1-3(5)4-2-6/h3-4H,2H2,1H3InChIKey=JWLHTCOFIIGFRT-UHFFFAOYSA-N166.5Ex 166.49(BP est) -16.19(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(C)F -16.2Pred
C[AsH]C(CF)I19265263.913C3H7AsFI(2-fluoro-1-iodoethyl)(methyl)arsaneN136C[As]([H])C(CF)IInChI=1S/C3H7AsFI/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=FYRFHFPGZVYOMB-UHFFFAOYSA-N166.5Ex 166.49(BP est) -16.19(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CF)I -16.2Pred
[AsH2]C(C(C)F)I19266263.913C3H7AsFI(2-fluoro-1-iodopropyl)arsaneN136[As]([H])([H])C(C(C)F)IInChI=1S/C3H7AsFI/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=PDJVRUMXHYWVKB-UHFFFAOYSA-N155.5Ex 155.46(BP est) -18.73(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)F)I -18.7Pred
C[AsH]CC(I)F19267263.913C3H7AsFI(2-fluoro-2-iodoethyl)(methyl)arsaneN136C[As]([H])CC(I)FInChI=1S/C3H7AsFI/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=LDJCEDBSTZKMNF-UHFFFAOYSA-N166.5Ex 166.49(BP est) -16.19(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(I)F -16.2Pred
[AsH2]CC(F)(I)C19268263.913C3H7AsFI(2-fluoro-2-iodopropyl)arsaneN136[As]([H])([H])CC(F)(I)CInChI=1S/C3H7AsFI/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=BHVZRUPSVHAFNM-UHFFFAOYSA-N160.0Ex 159.95(BP est) -1.21(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)(I)C -1.2Pred
[AsH2]CC(CI)F19269263.913C3H7AsFI(2-fluoro-3-iodopropyl)arsaneN136[As]([H])([H])CC(CI)FInChI=1S/C3H7AsFI/c4-1-3(5)2-6/h3H,1-2,4H2InChIKey=PXDVPFPQYWEZCY-UHFFFAOYSA-N168.5Ex 168.47(BP est) -7.43(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CI)F -7.4Pred
IC[AsH]CCF19270263.913C3H7AsFI(2-fluoroethyl)(iodomethyl)arsaneN136IC[As]([H])CCFInChI=1S/C3H7AsFI/c5-2-1-4-3-6/h4H,1-3H2InChIKey=BZSONXYWLITTHR-UHFFFAOYSA-N179.2Ex 179.21(BP est) -4.98(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CCF -5Pred
[AsH2]C(CCF)I19271263.913C3H7AsFI(3-fluoro-1-iodopropyl)arsaneN136[As]([H])([H])C(CCF)IInChI=1S/C3H7AsFI/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=HIUWTRQONOWJAT-UHFFFAOYSA-N168.5Ex 168.47(BP est) -7.43(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCF)I -7.4Pred
[AsH2]CC(CF)I19272263.913C3H7AsFI(3-fluoro-2-iodopropyl)arsaneN136[As]([H])([H])CC(CF)IInChI=1S/C3H7AsFI/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=DXAQVCDHLPZQGT-UHFFFAOYSA-N168.5Ex 168.47(BP est) -7.43(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CF)I -7.4Pred
[AsH2]CCC(I)F19273263.913C3H7AsFI(3-fluoro-3-iodopropyl)arsaneN136[As]([H])([H])CCC(I)FInChI=1S/C3H7AsFI/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=ORIBQUYBNZPCAY-UHFFFAOYSA-N168.5Ex 168.47(BP est) -7.43(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(I)F -7.4Pred
C[As](C(I)F)C19274263.913C3H7AsFI(fluoroiodomethyl)dimethylarsaneN136C[As](C(I)F)CInChI=1S/C3H7AsFI/c1-4(2)3(5)6/h3H,1-2H3InChIKey=FUYUKSOTKKIZCY-UHFFFAOYSA-N164.5Ex 164.51(BP est) -24.96(MP est) ----(BP exp) ----(MP exp) C[As](C(I)F)C -25Pred
FC[AsH]C(C)I19275263.913C3H7AsFI(fluoromethyl)(1-iodoethyl)arsaneN136FC[As]([H])C(C)IInChI=1S/C3H7AsFI/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=DBNAVRULHMBGCO-UHFFFAOYSA-N166.5Ex 166.49(BP est) -16.19(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(C)I -16.2Pred
FC[AsH]CCI19276263.913C3H7AsFI(fluoromethyl)(2-iodoethyl)arsaneN136FC[As]([H])CCIInChI=1S/C3H7AsFI/c5-3-4-1-2-6/h4H,1-3H2InChIKey=ZYGZENKYPLMFAV-UHFFFAOYSA-N179.2Ex 179.21(BP est) -4.98(MP est) ----(BP exp) ----(MP exp) FC[As]([H])CCI -5Pred
C[As](CF)CI19277263.913C3H7AsFI(fluoromethyl)(iodomethyl)(methyl)arsaneN136C[As](CF)CIInChI=1S/C3H7AsFI/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=DGXHBKTZFLLBAQ-UHFFFAOYSA-N177.3Ex 177.28(BP est) -13.73(MP est) ----(BP exp) ----(MP exp) C[As](CF)CI -13.7Pred
FC(I)[AsH]CC19278263.913C3H7AsFIethyl(fluoroiodomethyl)arsaneN136FC(I)[As]([H])CCInChI=1S/C3H7AsFI/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=WREUFZPTAXOOSE-UHFFFAOYSA-N166.5Ex 166.49(BP est) -16.19(MP est) ----(BP exp) ----(MP exp) FC(I)[As]([H])CC -16.2Pred
[AsH2]C(Cl)=CI19279264.322C2H3AsClI(1-chloro-2-iodovinyl)arsaneN85[As]([H])([H])C(Cl)=CIInChI=1S/C2H3AsClI/c3-2(4)1-5/h1H,3H2InChIKey=AKVNKPJUEWDYKO-UHFFFAOYSA-N190.1Ex 190.12(BP est) 5.90(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=CI 5.9Pred
[AsH2]C(I)=CCl19280264.322C2H3AsClI(2-chloro-1-iodovinyl)arsaneN85[As]([H])([H])C(I)=CClInChI=1S/C2H3AsClI/c3-2(5)1-4/h1H,3H2InChIKey=IOMJDDJVQRLCJA-UHFFFAOYSA-N190.1Ex 190.12(BP est) 5.90(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=CCl 5.9Pred
[AsH2]C=C(I)Cl19281264.322C2H3AsClI(2-chloro-2-iodovinyl)arsaneN85[As]([H])([H])C=C(I)ClInChI=1S/C2H3AsClI/c3-1-2(4)5/h1H,3H2InChIKey=HDZDFNOKOJWVGD-UHFFFAOYSA-N190.1Ex 190.12(BP est) 5.90(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(I)Cl 5.9Pred
ClC1(I)[AsH]C119282264.322C2H3AsClI2-chloro-2-iodoarsiraneN85ClC1(I)[As]([H])C1InChI=1S/C2H3AsClI/c4-2(5)1-3-2/h3H,1H2InChIKey=WIJVVXLJCHYHQH-UHFFFAOYSA-N180.1Ex 180.07(BP est) 26.98(MP est) ----(BP exp) ----(MP exp) ClC1(I)[As]([H])C1 27Pred
ClC1[AsH]C1I19283264.322C2H3AsClI2-chloro-3-iodoarsiraneN85ClC1[As]([H])C1IInChI=1S/C2H3AsClI/c4-1-2(5)3-1/h1-3HInChIKey=RTHPIGKNODBYGQ-UHFFFAOYSA-N196.1Ex 196.06(BP est) 17.58(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1I 17.6Pred
[AsH2]C(F)=C(I)F19284265.861C2H2AsF2I(1,2-difluoro-2-iodovinyl)arsaneN86[As]([H])([H])C(F)=C(I)FInChI=1S/C2H2AsF2I/c3-1(4)2(5)6/h3H2InChIKey=DNXWIMJGJDSJDG-UHFFFAOYSA-N156.9Ex 156.90(BP est) -25.15(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(I)F -25.2Pred
[AsH2]C(I)=C(F)F19285265.861C2H2AsF2I(2,2-difluoro-1-iodovinyl)arsaneN86[As]([H])([H])C(I)=C(F)FInChI=1S/C2H2AsF2I/c3-1(6)2(4)5/h3H2InChIKey=CPOFXGFUDODWJZ-UHFFFAOYSA-N156.9Ex 156.90(BP est) -25.15(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(F)F -25.2Pred
IC1[AsH]C1(F)F19286265.861C2H2AsF2I2,2-difluoro-3-iodoarsiraneN86IC1[As]([H])C1(F)FInChI=1S/C2H2AsF2I/c4-2(5)1(6)3-2/h1,3HInChIKey=APHLPOSERAYPRX-UHFFFAOYSA-N143.8Ex 143.81(BP est) -0.10(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(F)F -0.1Pred
FC1[AsH]C1(F)I19287265.861C2H2AsF2I2,3-difluoro-2-iodoarsiraneN86FC1[As]([H])C1(F)IInChI=1S/C2H2AsF2I/c4-1-2(5,6)3-1/h1,3HInChIKey=ZIBMLFNOZHWFAJ-UHFFFAOYSA-N143.8Ex 143.81(BP est) -0.10(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(F)I -0.1Pred
O[As](O)C(I)Cl19288284.309CH3AsClIO2(chloroiodomethyl)arsonous acidN96O[As](O)C(I)ClInChI=1S/CH3AsClIO2/c3-1(4)2(5)6/h1,5-6HInChIKey=OOLPAPSBXVUDMH-UHFFFAOYSA-N321.0Ex 320.99(BP est) 84.94(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)Cl 84.9Pred
[AsH2]C(Cl)(I)C19289266.338C2H5AsClI(1-chloro-1-iodoethyl)arsaneN105[As]([H])([H])C(Cl)(I)CInChI=1S/C2H5AsClI/c1-2(3,4)5/h3H2,1H3InChIKey=OUPHQQOOLOOBTE-UHFFFAOYSA-N170.5Ex 170.47(BP est) 10.89(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)C 10.9Pred
[AsH2]C(CI)Cl19290266.338C2H5AsClI(1-chloro-2-iodoethyl)arsaneN105[As]([H])([H])C(CI)ClInChI=1S/C2H5AsClI/c3-2(4)1-5/h2H,1,3H2InChIKey=VEWJFKRAHUNZJC-UHFFFAOYSA-N190.0Ex 190.02(BP est) 7.89(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CI)Cl 7.9Pred
[AsH2]C(CCl)I19291266.338C2H5AsClI(2-chloro-1-iodoethyl)arsaneN105[As]([H])([H])C(CCl)IInChI=1S/C2H5AsClI/c3-2(5)1-4/h2H,1,3H2InChIKey=VWDSUFDAZRVWHK-UHFFFAOYSA-N201.0Ex 200.99(BP est) 11.09(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCl)I 11.1Pred
[AsH2]CC(I)Cl19292266.338C2H5AsClI(2-chloro-2-iodoethyl)arsaneN105[As]([H])([H])CC(I)ClInChI=1S/C2H5AsClI/c3-1-2(4)5/h2H,1,3H2InChIKey=HQRVUOKSUPBRMU-UHFFFAOYSA-N190.0Ex 190.02(BP est) 7.89(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)Cl 7.9Pred
C[AsH]C(I)Cl19293266.338C2H5AsClI(chloroiodomethyl)(methyl)arsaneN105C[As]([H])C(I)ClInChI=1S/C2H5AsClI/c1-3-2(4)5/h2-3H,1H3InChIKey=PMWPWKDZDUJPSF-UHFFFAOYSA-N188.1Ex 188.13(BP est) -0.85(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)Cl -0.9Pred
ClC[AsH]CI19294266.338C2H5AsClI(chloromethyl)(iodomethyl)arsaneN105ClC[As]([H])CIInChI=1S/C2H5AsClI/c4-1-3-2-5/h3H,1-2H2InChIKey=LYEFEIMGLDSROP-UHFFFAOYSA-N211.0Ex 211.01(BP est) 13.33(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CI 13.3Pred
[AsH2]C(Br)(Br)F19295267.755CH2AsBr2F(dibromofluoromethyl)arsaneN75[As]([H])([H])C(Br)(Br)FInChI=1S/CH2AsBr2F/c2-1(3,4)5/h2H2InChIKey=VUPPTENDQYOTKS-UHFFFAOYSA-N155.2Ex 155.18(BP est) 16.90(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)F 16.9Pred
O[As](O)C(F)(F)I19296285.848CH2AsF2IO2(difluoroiodomethyl)arsonous acidN97O[As](O)C(F)(F)IInChI=1S/CH2AsF2IO2/c3-1(4,5)2(6)7/h6-7HInChIKey=MNPCDQJCYWBLFB-UHFFFAOYSA-N287.4Ex 287.43(BP est) 69.48(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)(F)I 69.5Pred
[AsH2]C(F)(F)CI19297267.877C2H4AsF2I(1,1-difluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(F)(F)CIInChI=1S/C2H4AsF2I/c3-2(4,5)1-6/h1,3H2InChIKey=OCDIAJJZLZLVOJ-UHFFFAOYSA-N140.1Ex 140.05(BP est) -12.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(F)CI -12.4Pred
[AsH2]C(F)(I)CF19298267.877C2H4AsF2I(1,2-difluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(F)(I)CFInChI=1S/C2H4AsF2I/c3-2(5,6)1-4/h1,3H2InChIKey=GJCCSYUQYYWXEO-UHFFFAOYSA-N140.1Ex 140.05(BP est) -12.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)CF -12.4Pred
[AsH2]C(C(I)F)F19299267.877C2H4AsF2I(1,2-difluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)F)FInChI=1S/C2H4AsF2I/c3-1(4)2(5)6/h1-2H,3H2InChIKey=SRUOWJNELFQUOZ-UHFFFAOYSA-N135.4Ex 135.39(BP est) -29.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)F)F -29.9Pred
[AsH2]C(C(F)F)I19300267.877C2H4AsF2I(2,2-difluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(C(F)F)IInChI=1S/C2H4AsF2I/c3-1(6)2(4)5/h1-2H,3H2InChIKey=FWGSJPYSUFFDFI-UHFFFAOYSA-N135.4Ex 135.39(BP est) -29.93(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)F)I -29.9Pred
[AsH2]CC(F)(F)I19301267.877C2H4AsF2I(2,2-difluoro-2-iodoethyl)arsaneN106[As]([H])([H])CC(F)(F)IInChI=1S/C2H4AsF2I/c3-1-2(4,5)6/h1,3H2InChIKey=BTCHMDDPPLEVPT-UHFFFAOYSA-N140.1Ex 140.05(BP est) -12.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)(F)I -12.4Pred
C[AsH]C(F)(F)I19302267.877C2H4AsF2I(difluoroiodomethyl)(methyl)arsaneN106C[As]([H])C(F)(F)IInChI=1S/C2H4AsF2I/c1-3-2(4,5)6/h3H,1H3InChIKey=ZYRCEQJSMGSQKR-UHFFFAOYSA-N138.0Ex 137.97(BP est) -21.15(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)(F)I -21.2Pred
IC[AsH]C(F)F19303267.877C2H4AsF2I(difluoromethyl)(iodomethyl)arsaneN106IC[As]([H])C(F)FInChI=1S/C2H4AsF2I/c4-2(5)3-1-6/h2-3H,1H2InChIKey=VBRXRUBBZWBIQG-UHFFFAOYSA-N146.8Ex 146.84(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(F)F -27.3Pred
FC[AsH]C(I)F19304267.877C2H4AsF2I(fluoroiodomethyl)(fluoromethyl)arsaneN106FC[As]([H])C(I)FInChI=1S/C2H4AsF2I/c4-1-3-2(5)6/h2-3H,1H2InChIKey=DYXHKDAEFXBJAS-UHFFFAOYSA-N146.8Ex 146.84(BP est) -27.27(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(I)F -27.3Pred
[AsH2]C(Cl)(F)I19305270.301CH2AsClFI(chlorofluoroiodomethyl)arsaneN75[As]([H])([H])C(Cl)(F)IInChI=1S/CH2AsClFI/c2-1(3,4)5/h2H2InChIKey=LVDUUORZLDHGTA-UHFFFAOYSA-N151.0Ex 150.96(BP est) -0.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)I -0.1Pred
[AsH2]C(Br)(Br)C#C19306273.787C3H3AsBr2(1,1-dibromoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(Br)(Br)C#CInChI=1S/C3H3AsBr2/c1-2-3(4,5)6/h1H,4H2InChIKey=FQTVHDMIPKNOLB-UHFFFAOYSA-N202.1Ex 202.12(BP est) 34.71(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)C#C 34.7Pred
[AsH2]C(C#CBr)Br19307273.787C3H3AsBr2(1,3-dibromoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CBr)BrInChI=1S/C3H3AsBr2/c4-3(6)1-2-5/h3H,4H2InChIKey=VGAZCUALRWYKKE-UHFFFAOYSA-N217.1Ex 217.11(BP est) 51.70(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CBr)Br 51.7Pred
BrC[AsH]C#CBr19308273.787C3H3AsBr2(bromoethynyl)(bromomethyl)arsaneN96BrC[As]([H])C#CBrInChI=1S/C3H3AsBr2/c5-2-1-4-3-6/h4H,3H2InChIKey=DDVRDMOUNGLAHI-UHFFFAOYSA-N226.7Ex 226.74(BP est) 55.58(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C#CBr 55.6Pred
BrC(Br)[AsH]C#C19309273.787C3H3AsBr2(dibromomethyl)(ethynyl)arsaneN96BrC(Br)[As]([H])C#CInChI=1S/C3H3AsBr2/c1-2-4-3(5)6/h1,3-4HInChIKey=MZPUJHMSZFZHSV-UHFFFAOYSA-N208.1Ex 208.10(BP est) 28.88(MP est) ----(BP exp) ----(MP exp) BrC(Br)[As]([H])C#C 28.9Pred
BrC1(Br)[AsH]C=C119310273.787C3H3AsBr22,2-dibromo-1,2-dihydroarseteN96BrC1(Br)[As]([H])C=C1InChI=1S/C3H3AsBr2/c5-3(6)1-2-4-3/h1-2,4HInChIKey=OOBCGSHMRQIGRC-UHFFFAOYSA-N208.6Ex 208.60(BP est) 31.76(MP est) ----(BP exp) ----(MP exp) BrC1(Br)[As]([H])C=C1 31.8Pred
BrC1[AsH]C=C1Br19311273.787C3H3AsBr22,3-dibromo-1,2-dihydroarseteN96BrC1[As]([H])C=C1BrInChI=1S/C3H3AsBr2/c5-2-1-4-3(2)6/h1,3-4HInChIKey=ZJCKPSVGUAWXHB-UHFFFAOYSA-N217.1Ex 217.14(BP est) 39.16(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C=C1Br 39.2Pred
BrC1[AsH]C(Br)=C119312273.787C3H3AsBr22,4-dibromo-1,2-dihydroarseteN96BrC1[As]([H])C(Br)=C1InChI=1S/C3H3AsBr2/c5-2-1-3(6)4-2/h1-2,4HInChIKey=RGLYJUAEMUMIQZ-UHFFFAOYSA-N217.1Ex 217.14(BP est) 39.16(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C(Br)=C1 39.2Pred
BrC1=C(Br)C[AsH]119313273.787C3H3AsBr23,4-dibromo-1,2-dihydroarseteN96BrC1=C(Br)C[As]([H])1InChI=1S/C3H3AsBr2/c5-2-1-4-3(2)6/h4H,1H2InChIKey=KLLNQLBAQTXLLT-UHFFFAOYSA-N221.0Ex 221.02(BP est) 38.54(MP est) ----(BP exp) ----(MP exp) BrC1=C(Br)C[As]([H])1 38.5Pred
O[As](O)C(Br)=CBr19314293.774C2H3AsBr2O2(1,2-dibromovinyl)arsonous acidN107O[As](O)C(Br)=CBrInChI=1S/C2H3AsBr2O2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=ZBBNBIWTDRRLHU-UHFFFAOYSA-N337.4Ex 337.39(BP est) 100.55(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)=CBr 100.6Pred
O[As](O)C=C(Br)Br19315293.774C2H3AsBr2O2(2,2-dibromovinyl)arsonous acidN107O[As](O)C=C(Br)BrInChI=1S/C2H3AsBr2O2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=CKJSBDQSBVOIGS-UHFFFAOYSA-N337.4Ex 337.39(BP est) 100.55(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(Br)Br 100.6Pred
[AsH2]C(Br)(Br)C=C19316275.803C3H5AsBr2(1,1-dibromoallyl)arsaneN116[As]([H])([H])C(Br)(Br)C=CInChI=1S/C3H5AsBr2/c1-2-3(4,5)6/h2H,1,4H2InChIKey=GTUGPNNLQBCHMP-UHFFFAOYSA-N193.6Ex 193.61(BP est) 25.27(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)C=C 25.3Pred
[AsH2]C(C(Br)=C)Br19317275.803C3H5AsBr2(1,2-dibromoallyl)arsaneN116[As]([H])([H])C(C(Br)=C)BrInChI=1S/C3H5AsBr2/c1-2(5)3(4)6/h3H,1,4H2InChIKey=OYXKNWGHAJOMGB-UHFFFAOYSA-N196.1Ex 196.09(BP est) 23.25(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)=C)Br 23.3Pred
C[AsH]C(Br)=CBr19318275.803C3H5AsBr2(1,2-dibromovinyl)(methyl)arsaneN116C[As]([H])C(Br)=CBrInChI=1S/C3H5AsBr2/c1-4-3(6)2-5/h2,4H,1H3InChIKey=OZFITXMIQFUOFS-UHFFFAOYSA-N213.7Ex 213.67(BP est) 26.04(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)=CBr 26Pred
[AsH2]C(C=CBr)Br19319275.803C3H5AsBr2(1,3-dibromoallyl)arsaneN116[As]([H])([H])C(C=CBr)BrInChI=1S/C3H5AsBr2/c4-3(6)1-2-5/h1-3H,4H2InChIKey=OFRNRVNRTMAZJQ-UHFFFAOYSA-N209.1Ex 209.07(BP est) 24.38(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CBr)Br 24.4Pred
C[AsH]C=C(Br)Br19320275.803C3H5AsBr2(2,2-dibromovinyl)(methyl)arsaneN116C[As]([H])C=C(Br)BrInChI=1S/C3H5AsBr2/c1-4-2-3(5)6/h2,4H,1H3InChIKey=OGJRUUBWWRMYJO-UHFFFAOYSA-N213.7Ex 213.67(BP est) 26.04(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(Br)Br 26Pred
[AsH2]CC(Br)=CBr19321275.803C3H5AsBr2(2,3-dibromoallyl)arsaneN116[As]([H])([H])CC(Br)=CBrInChI=1S/C3H5AsBr2/c4-1-3(6)2-5/h2H,1,4H2InChIKey=SYKHKQDLBMCQNY-UHFFFAOYSA-N215.5Ex 215.45(BP est) 27.21(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)=CBr 27.2Pred
[AsH2]CC=C(Br)Br19322275.803C3H5AsBr2(3,3-dibromoallyl)arsaneN116[As]([H])([H])CC=C(Br)BrInChI=1S/C3H5AsBr2/c4-2-1-3(5)6/h1H,2,4H2InChIKey=YQKZEGFPWXHFLD-UHFFFAOYSA-N215.5Ex 215.45(BP est) 27.21(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(Br)Br 27.2Pred
BrC[AsH]C(Br)=C19323275.803C3H5AsBr2(bromomethyl)(1-bromovinyl)arsaneN116BrC[As]([H])C(Br)=CInChI=1S/C3H5AsBr2/c1-3(6)4-2-5/h4H,1-2H2InChIKey=USUYOAHFUXYHRQ-UHFFFAOYSA-N206.2Ex 206.23(BP est) 25.52(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(Br)=C 25.5Pred
BrC[AsH]C=CBr19324275.803C3H5AsBr2(bromomethyl)(2-bromovinyl)arsaneN116BrC[As]([H])C=CBrInChI=1S/C3H5AsBr2/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=XVAQBORIPLGYHL-UHFFFAOYSA-N218.9Ex 218.90(BP est) 27.75(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C=CBr 27.8Pred
BrC(Br)[AsH]C=C19325275.803C3H5AsBr2(dibromomethyl)(vinyl)arsaneN116BrC(Br)[As]([H])C=CInChI=1S/C3H5AsBr2/c1-2-4-3(5)6/h2-4H,1H2InChIKey=SOZRBBXWQLAJEP-UHFFFAOYSA-N199.7Ex 199.70(BP est) 23.10(MP est) ----(BP exp) ----(MP exp) BrC(Br)[As]([H])C=C 23.1Pred
BrC(Br)[As]1CC119326275.803C3H5AsBr21-(dibromomethyl)arsiraneN116BrC(Br)[As]1CC1InChI=1S/C3H5AsBr2/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=WPDKPOIHBPPFGO-UHFFFAOYSA-N206.6Ex 206.63(BP est) 22.77(MP est) ----(BP exp) ----(MP exp) BrC(Br)[As]1CC1 22.8Pred
C[As]1CC1(Br)Br19327275.803C3H5AsBr22,2-dibromo-1-methylarsiraneN116C[As]1CC1(Br)BrInChI=1S/C3H5AsBr2/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=PBQWKUKSVWFGJV-UHFFFAOYSA-N202.4Ex 202.40(BP est) 25.64(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(Br)Br 25.6Pred
BrC1(Br)[AsH]CC119328275.803C3H5AsBr22,2-dibromoarsetaneN116BrC1(Br)[As]([H])CC1InChI=1S/C3H5AsBr2/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=XGDRFTDCDMWSQR-UHFFFAOYSA-N206.0Ex 206.03(BP est) 30.44(MP est) ----(BP exp) ----(MP exp) BrC1(Br)[As]([H])CC1 30.4Pred
C[As]1C(Br)C1Br19329275.803C3H5AsBr22,3-dibromo-1-methylarsiraneN116C[As]1C(Br)C1BrInChI=1S/C3H5AsBr2/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=JCPAYWAIDFEGSN-UHFFFAOYSA-N207.1Ex 207.09(BP est) 25.12(MP est) ----(BP exp) ----(MP exp) C[As]1C(Br)C1Br 25.1Pred
BrC1[AsH]CC1Br19330275.803C3H5AsBr22,3-dibromoarsetaneN116BrC1[As]([H])CC1BrInChI=1S/C3H5AsBr2/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=OEUDWUQLQIFAPM-UHFFFAOYSA-N210.7Ex 210.68(BP est) 30.80(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])CC1Br 30.8Pred
BrC1[AsH]C(Br)C119331275.803C3H5AsBr22,4-dibromoarsetaneN116BrC1[As]([H])C(Br)C1InChI=1S/C3H5AsBr2/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=JEMZFQXPPFOCQS-UHFFFAOYSA-N210.7Ex 210.68(BP est) 30.80(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C(Br)C1 30.8Pred
BrC[As]1CC1Br19332275.803C3H5AsBr22-bromo-1-(bromomethyl)arsiraneN116BrC[As]1CC1BrInChI=1S/C3H5AsBr2/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=WQNQTHZBAJPVOE-UHFFFAOYSA-N212.7Ex 212.72(BP est) 28.73(MP est) ----(BP exp) ----(MP exp) BrC[As]1CC1Br 28.7Pred
BrC1(Br)C[AsH]C119333275.803C3H5AsBr23,3-dibromoarsetaneN116BrC1(Br)C[As]([H])C1InChI=1S/C3H5AsBr2/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=ZWNUILLUPHVUHH-UHFFFAOYSA-N206.0Ex 206.03(BP est) 30.44(MP est) ----(BP exp) ----(MP exp) BrC1(Br)C[As]([H])C1 30.4Pred
[AsH2]C(Cl)(I)C#C19334276.333C3H3AsClI(1-chloro-1-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(Cl)(I)C#CInChI=1S/C3H3AsClI/c1-2-3(4,5)6/h1H,4H2InChIKey=BIVSMIIKVLJKOR-UHFFFAOYSA-N198.3Ex 198.29(BP est) 25.13(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)C#C 25.1Pred
[AsH2]C(C#CI)Cl19335276.333C3H3AsClI(1-chloro-3-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CI)ClInChI=1S/C3H3AsClI/c4-3(5)1-2-6/h3H,4H2InChIKey=PQOXGUQJKSGRMG-UHFFFAOYSA-N223.8Ex 223.78(BP est) 46.72(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CI)Cl 46.7Pred
[AsH2]C(C#CCl)I19336276.333C3H3AsClI(3-chloro-1-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CCl)IInChI=1S/C3H3AsClI/c4-3(6)1-2-5/h3H,4H2InChIKey=HNQAPHDBQLYNBY-UHFFFAOYSA-N211.7Ex 211.69(BP est) 41.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CCl)I 41.4Pred
IC[AsH]C#CCl19337276.333C3H3AsClI(chloroethynyl)(iodomethyl)arsaneN96IC[As]([H])C#CClInChI=1S/C3H3AsClI/c5-2-1-4-3-6/h4H,3H2InChIKey=ZGQLODXRHDDFRH-UHFFFAOYSA-N221.5Ex 221.46(BP est) 45.36(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C#CCl 45.4Pred
ClC(I)[AsH]C#C19338276.333C3H3AsClI(chloroiodomethyl)(ethynyl)arsaneN96ClC(I)[As]([H])C#CInChI=1S/C3H3AsClI/c1-2-4-3(5)6/h1,3-4HInChIKey=XJLSUFBMRBAJON-UHFFFAOYSA-N214.9Ex 214.92(BP est) 28.01(MP est) ----(BP exp) ----(MP exp) ClC(I)[As]([H])C#C 28Pred
ClC[AsH]C#CI19339276.333C3H3AsClI(chloromethyl)(iodoethynyl)arsaneN96ClC[As]([H])C#CIInChI=1S/C3H3AsClI/c5-3-4-1-2-6/h4H,3H2InChIKey=BLUJTMPUGFIHAM-UHFFFAOYSA-N243.1Ex 243.13(BP est) 54.85(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C#CI 54.9Pred
ClC1(I)[AsH]C=C119340276.333C3H3AsClI2-chloro-2-iodo-1,2-dihydroarseteN96ClC1(I)[As]([H])C=C1InChI=1S/C3H3AsClI/c5-3(6)1-2-4-3/h1-2,4HInChIKey=DBFDEEBXRAQIBO-UHFFFAOYSA-N204.8Ex 204.83(BP est) 27.62(MP est) ----(BP exp) ----(MP exp) ClC1(I)[As]([H])C=C1 27.6Pred
ClC1[AsH]C=C1I19341276.333C3H3AsClI2-chloro-3-iodo-1,2-dihydroarseteN96ClC1[As]([H])C=C1IInChI=1S/C3H3AsClI/c5-3-2(6)1-4-3/h1,3-4HInChIKey=ZMXKZSSEHDMTEY-UHFFFAOYSA-N223.8Ex 223.81(BP est) 31.22(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C=C1I 31.2Pred
ClC1[AsH]C(I)=C119342276.333C3H3AsClI2-chloro-4-iodo-1,2-dihydroarseteN96ClC1[As]([H])C(I)=C1InChI=1S/C3H3AsClI/c5-2-1-3(6)4-2/h1-2,4HInChIKey=ZGGFFGZRNGYNBR-UHFFFAOYSA-N223.8Ex 223.81(BP est) 31.22(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(I)=C1 31.2Pred
IC1[AsH]C=C1Cl19343276.333C3H3AsClI3-chloro-2-iodo-1,2-dihydroarseteN96IC1[As]([H])C=C1ClInChI=1S/C3H3AsClI/c5-2-1-4-3(2)6/h1,3-4HInChIKey=APOLBMBJUJANEH-UHFFFAOYSA-N211.7Ex 211.73(BP est) 26.51(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C=C1Cl 26.5Pred
IC1=C(Cl)C[AsH]119344276.333C3H3AsClI3-chloro-4-iodo-1,2-dihydroarseteN96IC1=C(Cl)C[As]([H])1InChI=1S/C3H3AsClI/c5-2-1-4-3(2)6/h4H,1H2InChIKey=UAFOMKLUWUGWAT-UHFFFAOYSA-N215.7Ex 215.66(BP est) 33.63(MP est) ----(BP exp) ----(MP exp) IC1=C(Cl)C[As]([H])1 33.6Pred
IC1[AsH]C(Cl)=C119345276.333C3H3AsClI4-chloro-2-iodo-1,2-dihydroarseteN96IC1[As]([H])C(Cl)=C1InChI=1S/C3H3AsClI/c5-2-1-3(6)4-2/h1,3-4HInChIKey=FAXUXMCZDJDWSJ-UHFFFAOYSA-N211.7Ex 211.73(BP est) 26.51(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C(Cl)=C1 26.5Pred
ClC1=C(I)C[AsH]119346276.333C3H3AsClI4-chloro-3-iodo-1,2-dihydroarseteN96ClC1=C(I)C[As]([H])1InChI=1S/C3H3AsClI/c5-3-2(6)1-4-3/h4H,1H2InChIKey=HSGNVQNSCMWOMF-UHFFFAOYSA-N215.7Ex 215.66(BP est) 33.63(MP est) ----(BP exp) ----(MP exp) ClC1=C(I)C[As]([H])1 33.6Pred
O[As](O)C(Br)(Br)C19347295.79C2H5AsBr2O2(1,1-dibromoethyl)arsonous acidN127O[As](O)C(Br)(Br)CInChI=1S/C2H5AsBr2O2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=CJWKHCBPEJZJHN-UHFFFAOYSA-N324.3Ex 324.32(BP est) 95.89(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Br)C 95.9Pred
O[As](O)C(CBr)Br19348295.79C2H5AsBr2O2(1,2-dibromoethyl)arsonous acidN127O[As](O)C(CBr)BrInChI=1S/C2H5AsBr2O2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=NGIRWQVJIQUPCI-UHFFFAOYSA-N329.5Ex 329.45(BP est) 98.80(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CBr)Br 98.8Pred
O[As](O)CC(Br)Br19349295.79C2H5AsBr2O2(2,2-dibromoethyl)arsonous acidN127O[As](O)CC(Br)BrInChI=1S/C2H5AsBr2O2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=MLAOSUXDIVTRRG-UHFFFAOYSA-N329.5Ex 329.45(BP est) 98.80(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(Br)Br 98.8Pred
C[AsH]C(Br)(Br)C19350277.819C3H7AsBr2(1,1-dibromoethyl)(methyl)arsaneN136C[As]([H])C(Br)(Br)CInChI=1S/C3H7AsBr2/c1-3(5,6)4-2/h4H,1-2H3InChIKey=PLACPSDURDBUGP-UHFFFAOYSA-N193.3Ex 193.25(BP est) 20.26(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(Br)C 20.3Pred
[AsH2]C(Br)(Br)CC19351277.819C3H7AsBr2(1,1-dibromopropyl)arsaneN136[As]([H])([H])C(Br)(Br)CCInChI=1S/C3H7AsBr2/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=YZSXJMZCVKVVQU-UHFFFAOYSA-N195.1Ex 195.11(BP est) 26.44(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)CC 26.4Pred
C[AsH]C(CBr)Br19352277.819C3H7AsBr2(1,2-dibromoethyl)(methyl)arsaneN136C[As]([H])C(CBr)BrInChI=1S/C3H7AsBr2/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=LABRYADLPNSIEG-UHFFFAOYSA-N201.2Ex 201.19(BP est) 24.41(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CBr)Br 24.4Pred
[AsH2]C(C(C)Br)Br19353277.819C3H7AsBr2(1,2-dibromopropyl)arsaneN136[As]([H])([H])C(C(C)Br)BrInChI=1S/C3H7AsBr2/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=BPBLGZKPXMFUDX-UHFFFAOYSA-N190.9Ex 190.94(BP est) 22.10(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)Br)Br 22.1Pred
[AsH2]C(CCBr)Br19354277.819C3H7AsBr2(1,3-dibromopropyl)arsaneN136[As]([H])([H])C(CCBr)BrInChI=1S/C3H7AsBr2/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=BRFFDVGIPCQLEY-UHFFFAOYSA-N203.0Ex 203.02(BP est) 23.72(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCBr)Br 23.7Pred
BrC[AsH]C(C)Br19355277.819C3H7AsBr2(1-bromoethyl)(bromomethyl)arsaneN136BrC[As]([H])C(C)BrInChI=1S/C3H7AsBr2/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=INRCOMMQAIJOKF-UHFFFAOYSA-N201.2Ex 201.19(BP est) 24.41(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(C)Br 24.4Pred
C[AsH]CC(Br)Br19356277.819C3H7AsBr2(2,2-dibromoethyl)(methyl)arsaneN136C[As]([H])CC(Br)BrInChI=1S/C3H7AsBr2/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=LJFUXVBJIMQSCZ-UHFFFAOYSA-N201.2Ex 201.19(BP est) 24.41(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(Br)Br 24.4Pred
[AsH2]CC(Br)(Br)C19357277.819C3H7AsBr2(2,2-dibromopropyl)arsaneN136[As]([H])([H])CC(Br)(Br)CInChI=1S/C3H7AsBr2/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=BGMPNQZCCGXRKT-UHFFFAOYSA-N195.1Ex 195.11(BP est) 26.44(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Br)C 26.4Pred
[AsH2]CC(CBr)Br19358277.819C3H7AsBr2(2,3-dibromopropyl)arsaneN136[As]([H])([H])CC(CBr)BrInChI=1S/C3H7AsBr2/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=ILHGNDWIGWMZIM-UHFFFAOYSA-N203.0Ex 203.02(BP est) 23.72(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CBr)Br 23.7Pred
BrC[AsH]CCBr19359277.819C3H7AsBr2(2-bromoethyl)(bromomethyl)arsaneN136BrC[As]([H])CCBrInChI=1S/C3H7AsBr2/c5-2-1-4-3-6/h4H,1-3H2InChIKey=SKUIAPSBBFCCRZ-UHFFFAOYSA-N213.0Ex 213.00(BP est) 27.14(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CCBr 27.1Pred
[AsH2]CCC(Br)Br19360277.819C3H7AsBr2(3,3-dibromopropyl)arsaneN136[As]([H])([H])CCC(Br)BrInChI=1S/C3H7AsBr2/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=BGHAZKWGJTVALO-UHFFFAOYSA-N203.0Ex 203.02(BP est) 23.72(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(Br)Br 23.7Pred
BrC(Br)[AsH]CC19361277.819C3H7AsBr2(dibromomethyl)(ethyl)arsaneN136BrC(Br)[As]([H])CCInChI=1S/C3H7AsBr2/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=XDPOWBXCUXYFOC-UHFFFAOYSA-N201.2Ex 201.19(BP est) 24.41(MP est) ----(BP exp) ----(MP exp) BrC(Br)[As]([H])CC 24.4Pred
C[As](C(Br)Br)C19362277.819C3H7AsBr2(dibromomethyl)dimethylarsaneN136C[As](C(Br)Br)CInChI=1S/C3H7AsBr2/c1-4(2)3(5)6/h3H,1-2H3InChIKey=HBULFTITNIUAFZ-UHFFFAOYSA-N199.4Ex 199.35(BP est) 15.69(MP est) ----(BP exp) ----(MP exp) C[As](C(Br)Br)C 15.7Pred
C[As](CBr)CBr19363277.819C3H7AsBr2bis(bromomethyl)(methyl)arsaneN136C[As](CBr)CBrInChI=1S/C3H7AsBr2/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=AYWNZZBRLRGRLI-UHFFFAOYSA-N211.2Ex 211.21(BP est) 26.65(MP est) ----(BP exp) ----(MP exp) C[As](CBr)CBr 26.7Pred
O[As](O)C(Cl)=CI19364296.32C2H3AsClIO2(1-chloro-2-iodovinyl)arsonous acidN107O[As](O)C(Cl)=CIInChI=1S/C2H3AsClIO2/c4-2(1-5)3(6)7/h1,6-7HInChIKey=HCTGFWBNPJOZNA-UHFFFAOYSA-N333.9Ex 333.93(BP est) 92.34(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)=CI 92.3Pred
O[As](O)C(I)=CCl19365296.32C2H3AsClIO2(2-chloro-1-iodovinyl)arsonous acidN107O[As](O)C(I)=CClInChI=1S/C2H3AsClIO2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=MDLMJJKOOAIUMV-UHFFFAOYSA-N333.9Ex 333.93(BP est) 92.34(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)=CCl 92.3Pred
O[As](O)C=C(I)Cl19366296.32C2H3AsClIO2(2-chloro-2-iodovinyl)arsonous acidN107O[As](O)C=C(I)ClInChI=1S/C2H3AsClIO2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=CBCSNWBDIVKVJM-UHFFFAOYSA-N333.9Ex 333.93(BP est) 92.34(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(I)Cl 92.3Pred
[AsH2]C(Cl)(I)C=C19367278.349C3H5AsClI(1-chloro-1-iodoallyl)arsaneN116[As]([H])([H])C(Cl)(I)C=CInChI=1S/C3H5AsClI/c1-2-3(4,5)6/h2H,1,4H2InChIKey=XJAPHPGNNUHLGM-UHFFFAOYSA-N189.7Ex 189.70(BP est) 21.26(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)C=C 21.3Pred
[AsH2]C(C(I)=C)Cl19368278.349C3H5AsClI(1-chloro-2-iodoallyl)arsaneN116[As]([H])([H])C(C(I)=C)ClInChI=1S/C3H5AsClI/c1-2(6)3(4)5/h3H,1,4H2InChIKey=BLZIJJMTDFDDJA-UHFFFAOYSA-N203.1Ex 203.10(BP est) 9.49(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)=C)Cl 9.5Pred
C[AsH]C(Cl)=CI19369278.349C3H5AsClI(1-chloro-2-iodovinyl)(methyl)arsaneN116C[As]([H])C(Cl)=CIInChI=1S/C3H5AsClI/c1-4-3(5)2-6/h2,4H,1H3InChIKey=GPZREQNVABFZQD-UHFFFAOYSA-N208.2Ex 208.22(BP est) 8.63(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)=CI 8.6Pred
[AsH2]C(C=CI)Cl19370278.349C3H5AsClI(1-chloro-3-iodoallyl)arsaneN116[As]([H])([H])C(C=CI)ClInChI=1S/C3H5AsClI/c4-3(5)1-2-6/h1-3H,4H2InChIKey=VQBXVOHDDFRORA-UHFFFAOYSA-N215.9Ex 215.87(BP est) 18.53(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CI)Cl 18.5Pred
IC[AsH]C(Cl)=C19371278.349C3H5AsClI(1-chlorovinyl)(iodomethyl)arsaneN116IC[As]([H])C(Cl)=CInChI=1S/C3H5AsClI/c1-3(5)4-2-6/h4H,1-2H2InChIKey=GQUFFYIOOAXIRD-UHFFFAOYSA-N200.7Ex 200.67(BP est) 8.09(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(Cl)=C 8.1Pred
[AsH2]C(C(Cl)=C)I19372278.349C3H5AsClI(2-chloro-1-iodoallyl)arsaneN116[As]([H])([H])C(C(Cl)=C)IInChI=1S/C3H5AsClI/c1-2(5)3(4)6/h3H,1,4H2InChIKey=MUFCTDSAVNCFGS-UHFFFAOYSA-N190.4Ex 190.41(BP est) 5.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)=C)I 5.8Pred
C[AsH]C(I)=CCl19373278.349C3H5AsClI(2-chloro-1-iodovinyl)(methyl)arsaneN116C[As]([H])C(I)=CClInChI=1S/C3H5AsClI/c1-4-3(6)2-5/h2,4H,1H3InChIKey=ZZMZSLFJZNJVLD-UHFFFAOYSA-N208.2Ex 208.22(BP est) 8.63(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)=CCl 8.6Pred
C[AsH]C=C(I)Cl19374278.349C3H5AsClI(2-chloro-2-iodovinyl)(methyl)arsaneN116C[As]([H])C=C(I)ClInChI=1S/C3H5AsClI/c1-4-2-3(5)6/h2,4H,1H3InChIKey=JGUCNBPNSUENEG-UHFFFAOYSA-N208.2Ex 208.22(BP est) 8.63(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(I)Cl 8.6Pred
[AsH2]CC(Cl)=CI19375278.349C3H5AsClI(2-chloro-3-iodoallyl)arsaneN116[As]([H])([H])CC(Cl)=CIInChI=1S/C3H5AsClI/c4-1-3(5)2-6/h2H,1,4H2InChIKey=RJFXYYSKNVOBMR-UHFFFAOYSA-N210.0Ex 210.02(BP est) 17.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)=CI 17.3Pred
IC[AsH]C=CCl19376278.349C3H5AsClI(2-chlorovinyl)(iodomethyl)arsaneN116IC[As]([H])C=CClInChI=1S/C3H5AsClI/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=XGGDAFCKKNKHIK-UHFFFAOYSA-N213.5Ex 213.51(BP est) 17.16(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C=CCl 17.2Pred
[AsH2]C(C=CCl)I19377278.349C3H5AsClI(3-chloro-1-iodoallyl)arsaneN116[As]([H])([H])C(C=CCl)IInChI=1S/C3H5AsClI/c4-3(6)1-2-5/h1-3H,4H2InChIKey=HZROAGUQYMEGAO-UHFFFAOYSA-N203.6Ex 203.55(BP est) 14.94(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CCl)I 14.9Pred
[AsH2]CC(I)=CCl19378278.349C3H5AsClI(3-chloro-2-iodoallyl)arsaneN116[As]([H])([H])CC(I)=CClInChI=1S/C3H5AsClI/c4-1-3(6)2-5/h2H,1,4H2InChIKey=RMDMYLDMIWQCHT-UHFFFAOYSA-N210.0Ex 210.02(BP est) 17.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)=CCl 17.3Pred
[AsH2]CC=C(I)Cl19379278.349C3H5AsClI(3-chloro-3-iodoallyl)arsaneN116[As]([H])([H])CC=C(I)ClInChI=1S/C3H5AsClI/c4-2-1-3(5)6/h1H,2,4H2InChIKey=WCVLOHBZTMYZHC-UHFFFAOYSA-N210.0Ex 210.02(BP est) 17.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(I)Cl 17.3Pred
ClC(I)[AsH]C=C19380278.349C3H5AsClI(chloroiodomethyl)(vinyl)arsaneN116ClC(I)[As]([H])C=CInChI=1S/C3H5AsClI/c1-2-4-3(5)6/h2-4H,1H2InChIKey=ZQISZUPRDORMMB-UHFFFAOYSA-N206.7Ex 206.66(BP est) 9.32(MP est) ----(BP exp) ----(MP exp) ClC(I)[As]([H])C=C 9.3Pred
ClC[AsH]C(I)=C19381278.349C3H5AsClI(chloromethyl)(1-iodovinyl)arsaneN116ClC[As]([H])C(I)=CInChI=1S/C3H5AsClI/c1-3(6)4-2-5/h4H,1-2H2InChIKey=CIEFVHSAJAENDY-UHFFFAOYSA-N223.5Ex 223.48(BP est) 14.75(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(I)=C 14.8Pred
ClC[AsH]C=CI19382278.349C3H5AsClI(chloromethyl)(2-iodovinyl)arsaneN116ClC[As]([H])C=CIInChI=1S/C3H5AsClI/c5-3-4-1-2-6/h1-2,4H,3H2InChIKey=WHALELGEFHXWFK-UHFFFAOYSA-N235.6Ex 235.62(BP est) 23.61(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C=CI 23.6Pred
ClC(I)[As]1CC119383278.349C3H5AsClI1-(chloroiodomethyl)arsiraneN116ClC(I)[As]1CC1InChI=1S/C3H5AsClI/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=PQTOGOCRLLICBT-UHFFFAOYSA-N213.5Ex 213.47(BP est) 16.85(MP est) ----(BP exp) ----(MP exp) ClC(I)[As]1CC1 16.9Pred
ClC[As]1CC1I19384278.349C3H5AsClI1-(chloromethyl)-2-iodoarsiraneN116ClC[As]1CC1IInChI=1S/C3H5AsClI/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=JLMWEBGOJFWZPE-UHFFFAOYSA-N229.7Ex 229.71(BP est) 26.97(MP est) ----(BP exp) ----(MP exp) ClC[As]1CC1I 27Pred
IC[As]1CC1Cl19385278.349C3H5AsClI2-chloro-1-(iodomethyl)arsiraneN116IC[As]1CC1ClInChI=1S/C3H5AsClI/c5-3-1-4(3)2-6/h3H,1-2H2InChIKey=YCAAWNMNNSMSAQ-UHFFFAOYSA-N219.5Ex 219.47(BP est) 23.98(MP est) ----(BP exp) ----(MP exp) IC[As]1CC1Cl 24Pred
C[As]1CC1(Cl)I19386278.349C3H5AsClI2-chloro-2-iodo-1-methylarsiraneN116C[As]1CC1(Cl)IInChI=1S/C3H5AsClI/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=QGCIHJPVBXMFDZ-UHFFFAOYSA-N198.6Ex 198.58(BP est) 29.83(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(Cl)I 29.8Pred
ClC1(I)[AsH]CC119387278.349C3H5AsClI2-chloro-2-iodoarsetaneN116ClC1(I)[As]([H])CC1InChI=1S/C3H5AsClI/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=LGILNHITBVAUIN-UHFFFAOYSA-N202.2Ex 202.24(BP est) 26.36(MP est) ----(BP exp) ----(MP exp) ClC1(I)[As]([H])CC1 26.4Pred
C[As]1C(Cl)C1I19388278.349C3H5AsClI2-chloro-3-iodo-1-methylarsiraneN116C[As]1C(Cl)C1IInChI=1S/C3H5AsClI/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=SVGZFXREXDCVTO-UHFFFAOYSA-N213.9Ex 213.92(BP est) 20.24(MP est) ----(BP exp) ----(MP exp) C[As]1C(Cl)C1I 20.2Pred
ClC1[AsH]CC1I19389278.349C3H5AsClI2-chloro-3-iodoarsetaneN116ClC1[As]([H])CC1IInChI=1S/C3H5AsClI/c5-3-2(6)1-4-3/h2-4H,1H2InChIKey=ZOLFERKGMWUQKA-UHFFFAOYSA-N217.5Ex 217.45(BP est) 27.70(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])CC1I 27.7Pred
ClC1[AsH]C(I)C119390278.349C3H5AsClI2-chloro-4-iodoarsetaneN116ClC1[As]([H])C(I)C1InChI=1S/C3H5AsClI/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=LEHNCIXFEJDRHG-UHFFFAOYSA-N217.5Ex 217.45(BP est) 27.70(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C(I)C1 27.7Pred
IC1[AsH]CC1Cl19391278.349C3H5AsClI3-chloro-2-iodoarsetaneN116IC1[As]([H])CC1ClInChI=1S/C3H5AsClI/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=OTMFQLFYFZDGCM-UHFFFAOYSA-N217.5Ex 217.45(BP est) 27.70(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])CC1Cl 27.7Pred
ClC1(I)C[AsH]C119392278.349C3H5AsClI3-chloro-3-iodoarsetaneN116ClC1(I)C[As]([H])C1InChI=1S/C3H5AsClI/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=PWHABVSTTSROFG-UHFFFAOYSA-N202.2Ex 202.24(BP est) 26.36(MP est) ----(BP exp) ----(MP exp) ClC1(I)C[As]([H])C1 26.4Pred
[AsH2]C(Br)=C(F)Br19393279.766C2H2AsBr2F(1,2-dibromo-2-fluorovinyl)arsaneN86[As]([H])([H])C(Br)=C(F)BrInChI=1S/C2H2AsBr2F/c3-1(4)2(5)6/h3H2InChIKey=JLGUCJCPKPVHIK-UHFFFAOYSA-N192.3Ex 192.27(BP est) 15.65(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(F)Br 15.7Pred
[AsH2]C(F)=C(Br)Br19394279.766C2H2AsBr2F(2,2-dibromo-1-fluorovinyl)arsaneN86[As]([H])([H])C(F)=C(Br)BrInChI=1S/C2H2AsBr2F/c3-1(6)2(4)5/h3H2InChIKey=MLAAVXTYWXJGOK-UHFFFAOYSA-N192.3Ex 192.27(BP est) 15.65(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(Br)Br 15.7Pred
FC1[AsH]C1(Br)Br19395279.766C2H2AsBr2F2,2-dibromo-3-fluoroarsiraneN86FC1[As]([H])C1(Br)BrInChI=1S/C2H2AsBr2F/c4-2(5)1(6)3-2/h1,3HInChIKey=QJYHUBVMHJLBIF-UHFFFAOYSA-N180.1Ex 180.08(BP est) 16.23(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(Br)Br 16.2Pred
BrC1[AsH]C1(Br)F19396279.766C2H2AsBr2F2,3-dibromo-2-fluoroarsiraneN86BrC1[As]([H])C1(Br)FInChI=1S/C2H2AsBr2F/c4-1-2(5,6)3-1/h1,3HInChIKey=GKZIQVCQPBLIHE-UHFFFAOYSA-N180.1Ex 180.08(BP est) 16.23(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(Br)F 16.2Pred
O[As](O)C(Cl)(I)C19397298.336C2H5AsClIO2(1-chloro-1-iodoethyl)arsonous acidN127O[As](O)C(Cl)(I)CInChI=1S/C2H5AsClIO2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=SVTPUSUZXYPLGX-UHFFFAOYSA-N321.8Ex 321.78(BP est) 91.09(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(I)C 91.1Pred
O[As](O)C(CI)Cl19398298.336C2H5AsClIO2(1-chloro-2-iodoethyl)arsonous acidN127O[As](O)C(CI)ClInChI=1S/C2H5AsClIO2/c4-2(1-5)3(6)7/h2,6-7H,1H2InChIKey=ULCYNMVLYSEZLM-UHFFFAOYSA-N333.9Ex 333.87(BP est) 94.34(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CI)Cl 94.3Pred
O[As](O)C(CCl)I19399298.336C2H5AsClIO2(2-chloro-1-iodoethyl)arsonous acidN127O[As](O)C(CCl)IInChI=1S/C2H5AsClIO2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=ZHEDJROBBCCQHQ-UHFFFAOYSA-N340.5Ex 340.52(BP est) 96.28(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CCl)I 96.3Pred
O[As](O)CC(I)Cl19400298.336C2H5AsClIO2(2-chloro-2-iodoethyl)arsonous acidN127O[As](O)CC(I)ClInChI=1S/C2H5AsClIO2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=IIBOQJZJCBWPCT-UHFFFAOYSA-N333.9Ex 333.87(BP est) 94.34(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(I)Cl 94.3Pred
C[AsH]C(Cl)(I)C19401280.365C3H7AsClI(1-chloro-1-iodoethyl)(methyl)arsaneN136C[As]([H])C(Cl)(I)CInChI=1S/C3H7AsClI/c1-3(5,6)4-2/h4H,1-2H3InChIKey=UWIADQODYJZKAF-UHFFFAOYSA-N189.3Ex 189.34(BP est) 13.85(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(I)C 13.9Pred
[AsH2]C(Cl)(I)CC19402280.365C3H7AsClI(1-chloro-1-iodopropyl)arsaneN136[As]([H])([H])C(Cl)(I)CCInChI=1S/C3H7AsClI/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=KBVROKFIKSZGEB-UHFFFAOYSA-N191.2Ex 191.22(BP est) 22.59(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)CC 22.6Pred
C[AsH]C(CI)Cl19403280.365C3H7AsClI(1-chloro-2-iodoethyl)(methyl)arsaneN136C[As]([H])C(CI)ClInChI=1S/C3H7AsClI/c1-4-3(5)2-6/h3-4H,2H2,1H3InChIKey=LGRCKJOXZDPHBL-UHFFFAOYSA-N208.1Ex 208.12(BP est) 10.62(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CI)Cl 10.6Pred
[AsH2]C(C(C)I)Cl19404280.365C3H7AsClI(1-chloro-2-iodopropyl)arsaneN136[As]([H])([H])C(C(C)I)ClInChI=1S/C3H7AsClI/c1-2(6)3(4)5/h2-3H,4H2,1H3InChIKey=NMOJTXXYRQTHAU-UHFFFAOYSA-N198.0Ex 198.03(BP est) 8.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)I)Cl 8.4Pred
[AsH2]C(CCI)Cl19405280.365C3H7AsClI(1-chloro-3-iodopropyl)arsaneN136[As]([H])([H])C(CCI)ClInChI=1S/C3H7AsClI/c4-3(5)1-2-6/h3H,1-2,4H2InChIKey=RGHGTDIZMBMPKT-UHFFFAOYSA-N209.9Ex 209.92(BP est) 19.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCI)Cl 19.3Pred
IC[AsH]C(C)Cl19406280.365C3H7AsClI(1-chloroethyl)(iodomethyl)arsaneN136IC[As]([H])C(C)ClInChI=1S/C3H7AsClI/c1-3(5)4-2-6/h3-4H,2H2,1H3InChIKey=TXNWYBFKGVHUFF-UHFFFAOYSA-N208.1Ex 208.12(BP est) 10.62(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(C)Cl 10.6Pred
C[AsH]C(CCl)I19407280.365C3H7AsClI(2-chloro-1-iodoethyl)(methyl)arsaneN136C[As]([H])C(CCl)IInChI=1S/C3H7AsClI/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=OHQGRMBATOUDJQ-UHFFFAOYSA-N218.7Ex 218.65(BP est) 13.70(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CCl)I 13.7Pred
[AsH2]C(C(C)Cl)I19408280.365C3H7AsClI(2-chloro-1-iodopropyl)arsaneN136[As]([H])([H])C(C(C)Cl)IInChI=1S/C3H7AsClI/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=XLMPQKJKLJBCNN-UHFFFAOYSA-N198.0Ex 198.03(BP est) 8.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)Cl)I 8.4Pred
C[AsH]CC(I)Cl19409280.365C3H7AsClI(2-chloro-2-iodoethyl)(methyl)arsaneN136C[As]([H])CC(I)ClInChI=1S/C3H7AsClI/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=DUPRJVKZGFNDFK-UHFFFAOYSA-N208.1Ex 208.12(BP est) 10.62(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(I)Cl 10.6Pred
[AsH2]CC(Cl)(I)C19410280.365C3H7AsClI(2-chloro-2-iodopropyl)arsaneN136[As]([H])([H])CC(Cl)(I)CInChI=1S/C3H7AsClI/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=ZEWQIWLIKSILSA-UHFFFAOYSA-N191.2Ex 191.22(BP est) 22.59(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)(I)C 22.6Pred
[AsH2]CC(CI)Cl19411280.365C3H7AsClI(2-chloro-3-iodopropyl)arsaneN136[As]([H])([H])CC(CI)ClInChI=1S/C3H7AsClI/c4-1-3(5)2-6/h3H,1-2,4H2InChIKey=IMSVABDBUMDHPE-UHFFFAOYSA-N209.9Ex 209.92(BP est) 19.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CI)Cl 19.3Pred
IC[AsH]CCCl19412280.365C3H7AsClI(2-chloroethyl)(iodomethyl)arsaneN136IC[As]([H])CCClInChI=1S/C3H7AsClI/c5-2-1-4-3-6/h4H,1-3H2InChIKey=CDUVQZJGXNBOKA-UHFFFAOYSA-N230.0Ex 229.97(BP est) 24.50(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CCCl 24.5Pred
[AsH2]C(CCCl)I19413280.365C3H7AsClI(3-chloro-1-iodopropyl)arsaneN136[As]([H])([H])C(CCCl)IInChI=1S/C3H7AsClI/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=QROXTMYQDMIIDT-UHFFFAOYSA-N220.4Ex 220.41(BP est) 22.40(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCCl)I 22.4Pred
[AsH2]CC(CCl)I19414280.365C3H7AsClI(3-chloro-2-iodopropyl)arsaneN136[As]([H])([H])CC(CCl)IInChI=1S/C3H7AsClI/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=PVZFUPOFNNHBML-UHFFFAOYSA-N220.4Ex 220.41(BP est) 22.40(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CCl)I 22.4Pred
[AsH2]CCC(I)Cl19415280.365C3H7AsClI(3-chloro-3-iodopropyl)arsaneN136[As]([H])([H])CCC(I)ClInChI=1S/C3H7AsClI/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=ICJPWTTXWDMHLH-UHFFFAOYSA-N209.9Ex 209.92(BP est) 19.34(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(I)Cl 19.3Pred
ClC(I)[AsH]CC19416280.365C3H7AsClI(chloroiodomethyl)(ethyl)arsaneN136ClC(I)[As]([H])CCInChI=1S/C3H7AsClI/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=ALAFEFLJBCPZIO-UHFFFAOYSA-N208.1Ex 208.12(BP est) 10.62(MP est) ----(BP exp) ----(MP exp) ClC(I)[As]([H])CC 10.6Pred
C[As](C(I)Cl)C19417280.365C3H7AsClI(chloroiodomethyl)dimethylarsaneN136C[As](C(I)Cl)CInChI=1S/C3H7AsClI/c1-4(2)3(5)6/h3H,1-2H3InChIKey=XFBKKDWQHMPBNZ-UHFFFAOYSA-N206.3Ex 206.31(BP est) 1.91(MP est) ----(BP exp) ----(MP exp) C[As](C(I)Cl)C 1.9Pred
ClC[AsH]C(C)I19418280.365C3H7AsClI(chloromethyl)(1-iodoethyl)arsaneN136ClC[As]([H])C(C)IInChI=1S/C3H7AsClI/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=USQBJNOQIYIMBC-UHFFFAOYSA-N218.7Ex 218.65(BP est) 13.70(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(C)I 13.7Pred
ClC[AsH]CCI19419280.365C3H7AsClI(chloromethyl)(2-iodoethyl)arsaneN136ClC[As]([H])CCIInChI=1S/C3H7AsClI/c5-3-4-1-2-6/h4H,1-3H2InChIKey=SNKDNNSWBKLEDV-UHFFFAOYSA-N230.0Ex 229.97(BP est) 24.50(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])CCI 24.5Pred
C[As](CI)CCl19420280.365C3H7AsClI(chloromethyl)(iodomethyl)(methyl)arsaneN136C[As](CI)CClInChI=1S/C3H7AsClI/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=OFHSZKXCFTYHSH-UHFFFAOYSA-N228.3Ex 228.25(BP est) 15.82(MP est) ----(BP exp) ----(MP exp) C[As](CI)CCl 15.8Pred
O[As](O)C(Br)(Br)F19421299.753CH2AsBr2FO2(dibromofluoromethyl)arsonous acidN97O[As](O)C(Br)(Br)FInChI=1S/CH2AsBr2FO2/c3-1(4,5)2(6)7/h6-7HInChIKey=SGWOHQHBOCYGOW-UHFFFAOYSA-N312.1Ex 312.13(BP est) 94.31(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Br)F 94.3Pred
[AsH2]C(Br)(Br)CF19422281.782C2H4AsBr2F(1,1-dibromo-2-fluoroethyl)arsaneN106[As]([H])([H])C(Br)(Br)CFInChI=1S/C2H4AsBr2F/c3-2(4,5)1-6/h1,3H2InChIKey=RQYXXJPFBXVMNL-UHFFFAOYSA-N176.6Ex 176.58(BP est) 28.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)CF 28.8Pred
[AsH2]C(Br)(F)CBr19423281.782C2H4AsBr2F(1,2-dibromo-1-fluoroethyl)arsaneN106[As]([H])([H])C(Br)(F)CBrInChI=1S/C2H4AsBr2F/c3-2(5,6)1-4/h1,3H2InChIKey=OEMMLSLFLCWJAC-UHFFFAOYSA-N176.6Ex 176.58(BP est) 28.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)CBr 28.8Pred
[AsH2]C(C(F)Br)Br19424281.782C2H4AsBr2F(1,2-dibromo-2-fluoroethyl)arsaneN106[As]([H])([H])C(C(F)Br)BrInChI=1S/C2H4AsBr2F/c3-1(4)2(5)6/h1-2H,3H2InChIKey=WXYZUBHEHXADOP-UHFFFAOYSA-N172.2Ex 172.24(BP est) 11.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Br)Br 11.3Pred
[AsH2]C(C(Br)Br)F19425281.782C2H4AsBr2F(2,2-dibromo-1-fluoroethyl)arsaneN106[As]([H])([H])C(C(Br)Br)FInChI=1S/C2H4AsBr2F/c3-1(6)2(4)5/h1-2H,3H2InChIKey=NUKFFTRBNXOSCX-UHFFFAOYSA-N172.2Ex 172.24(BP est) 11.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)Br)F 11.3Pred
[AsH2]CC(Br)(Br)F19426281.782C2H4AsBr2F(2,2-dibromo-2-fluoroethyl)arsaneN106[As]([H])([H])CC(Br)(Br)FInChI=1S/C2H4AsBr2F/c3-1-2(4,5)6/h1,3H2InChIKey=CVOAGRBSEGDNIR-UHFFFAOYSA-N176.6Ex 176.58(BP est) 28.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Br)F 28.8Pred
BrC[AsH]C(F)Br19427281.782C2H4AsBr2F(bromofluoromethyl)(bromomethyl)arsaneN106BrC[As]([H])C(F)BrInChI=1S/C2H4AsBr2F/c4-1-3-2(5)6/h2-3H,1H2InChIKey=UODRGLSGAWIYFE-UHFFFAOYSA-N182.9Ex 182.91(BP est) 13.73(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(F)Br 13.7Pred
C[AsH]C(Br)(Br)F19428281.782C2H4AsBr2F(dibromofluoromethyl)(methyl)arsaneN106C[As]([H])C(Br)(Br)FInChI=1S/C2H4AsBr2F/c1-3-2(4,5)6/h3H,1H3InChIKey=FYLBXHOVDBIVDR-UHFFFAOYSA-N174.6Ex 174.64(BP est) 20.03(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(Br)F 20Pred
FC[AsH]C(Br)Br19429281.782C2H4AsBr2F(dibromomethyl)(fluoromethyl)arsaneN106FC[As]([H])C(Br)BrInChI=1S/C2H4AsBr2F/c4-2(5)3-1-6/h2-3H,1H2InChIKey=MROQDMKSXRLHST-UHFFFAOYSA-N182.9Ex 182.91(BP est) 13.73(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(Br)Br 13.7Pred
[AsH2]C(Cl)=C(I)F19430282.312C2H2AsClFI(1-chloro-2-fluoro-2-iodovinyl)arsaneN86[As]([H])([H])C(Cl)=C(I)FInChI=1S/C2H2AsClFI/c3-1(4)2(5)6/h3H2InChIKey=ISWXLRYEMGHSCM-UHFFFAOYSA-N186.5Ex 186.54(BP est) -1.83(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(I)F -1.8Pred
[AsH2]C(F)=C(I)Cl19431282.312C2H2AsClFI(2-chloro-1-fluoro-2-iodovinyl)arsaneN86[As]([H])([H])C(F)=C(I)ClInChI=1S/C2H2AsClFI/c3-1(5)2(4)6/h3H2InChIKey=CSGUYVKOLJLAMP-UHFFFAOYSA-N186.5Ex 186.54(BP est) -1.83(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(I)Cl -1.8Pred
[AsH2]C(I)=C(F)Cl19432282.312C2H2AsClFI(2-chloro-2-fluoro-1-iodovinyl)arsaneN86[As]([H])([H])C(I)=C(F)ClInChI=1S/C2H2AsClFI/c3-1(6)2(4)5/h3H2InChIKey=OHDHVCXGVKSMTP-UHFFFAOYSA-N186.5Ex 186.54(BP est) -1.83(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(F)Cl -1.8Pred
IC1[AsH]C1(Cl)F19433282.312C2H2AsClFI2-chloro-2-fluoro-3-iodoarsiraneN86IC1[As]([H])C1(Cl)FInChI=1S/C2H2AsClFI/c4-2(5)1(6)3-2/h1,3HInChIKey=SRGLLFUEUGGWSD-UHFFFAOYSA-N176.1Ex 176.07(BP est) 23.99(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(Cl)F 24Pred
FC1[AsH]C1(Cl)I19434282.312C2H2AsClFI2-chloro-3-fluoro-2-iodoarsiraneN86FC1[As]([H])C1(Cl)IInChI=1S/C2H2AsClFI/c4-2(6)1(5)3-2/h1,3HInChIKey=KLNPYLGWFLJCNA-UHFFFAOYSA-N176.1Ex 176.07(BP est) 23.99(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(Cl)I 24Pred
ClC1[AsH]C1(F)I19435282.312C2H2AsClFI3-chloro-2-fluoro-2-iodoarsiraneN86ClC1[As]([H])C1(F)IInChI=1S/C2H2AsClFI/c4-1-2(5,6)3-1/h1,3HInChIKey=UGTUQCBPHGCNLI-UHFFFAOYSA-N187.3Ex 187.34(BP est) 27.28(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(F)I 27.3Pred
[AsH2]C(Br)(Br)Cl19436284.207CH2AsBr2Cl(dibromochloromethyl)arsaneN75[As]([H])([H])C(Br)(Br)ClInChI=1S/CH2AsBr2Cl/c2-1(3,4)5/h2H2InChIKey=OFOZHPGHPOIVQI-UHFFFAOYSA-N186.8Ex 186.75(BP est) 18.08(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)Cl 18.1Pred
O[As](O)C(Cl)(F)I19437302.299CH2AsClFIO2(chlorofluoroiodomethyl)arsonous acidN97O[As](O)C(Cl)(F)IInChI=1S/CH2AsClFIO2/c3-1(4,5)2(6)7/h6-7HInChIKey=PROLRWKZENQEGF-UHFFFAOYSA-N309.4Ex 309.44(BP est) 82.72(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(F)I 82.7Pred
[AsH2]C(Cl)(F)CI19438284.328C2H4AsClFI(1-chloro-1-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(Cl)(F)CIInChI=1S/C2H4AsClFI/c3-2(4,5)1-6/h1,3H2InChIKey=DCFNOMMJOGKIPE-UHFFFAOYSA-N172.5Ex 172.54(BP est) 11.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(F)CI 11.8Pred
[AsH2]C(Cl)(I)CF19439284.328C2H4AsClFI(1-chloro-2-fluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(Cl)(I)CFInChI=1S/C2H4AsClFI/c3-2(4,6)1-5/h1,3H2InChIKey=ZJVMVRQXXAZWIQ-UHFFFAOYSA-N172.5Ex 172.54(BP est) 11.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)CF 11.8Pred
[AsH2]C(C(I)F)Cl19440284.328C2H4AsClFI(1-chloro-2-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)F)ClInChI=1S/C2H4AsClFI/c3-1(4)2(5)6/h1-2H,3H2InChIKey=RCSJWMPKIIGXEF-UHFFFAOYSA-N179.6Ex 179.62(BP est) -2.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)F)Cl -2.4Pred
[AsH2]C(F)(I)CCl19441284.328C2H4AsClFI(2-chloro-1-fluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(F)(I)CClInChI=1S/C2H4AsClFI/c3-2(5,6)1-4/h1,3H2InChIKey=YKUFNWPQAJKHHK-UHFFFAOYSA-N195.0Ex 195.02(BP est) 18.36(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)CCl 18.4Pred
[AsH2]C(C(I)Cl)F19442284.328C2H4AsClFI(2-chloro-1-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)Cl)FInChI=1S/C2H4AsClFI/c3-1(5)2(4)6/h1-2H,3H2InChIKey=PPUCKBNDZQEKSD-UHFFFAOYSA-N179.6Ex 179.62(BP est) -2.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)Cl)F -2.4Pred
[AsH2]C(C(F)Cl)I19443284.328C2H4AsClFI(2-chloro-2-fluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(C(F)Cl)IInChI=1S/C2H4AsClFI/c3-1(6)2(4)5/h1-2H,3H2InChIKey=MMFIEEQGYMDXMK-UHFFFAOYSA-N179.6Ex 179.62(BP est) -2.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Cl)I -2.4Pred
[AsH2]CC(Cl)(F)I19444284.328C2H4AsClFI(2-chloro-2-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])CC(Cl)(F)IInChI=1S/C2H4AsClFI/c3-1-2(4,5)6/h1,3H2InChIKey=KVLXBAQXDYRTFQ-UHFFFAOYSA-N172.5Ex 172.54(BP est) 11.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)(F)I 11.8Pred
C[AsH]C(Cl)(F)I19445284.328C2H4AsClFI(chlorofluoroiodomethyl)(methyl)arsaneN106C[As]([H])C(Cl)(F)IInChI=1S/C2H4AsClFI/c1-3-2(4,5)6/h3H,1H3InChIKey=QKXJNQKJUSKYBA-UHFFFAOYSA-N170.6Ex 170.58(BP est) 3.03(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(F)I 3Pred
IC[AsH]C(F)Cl19446284.328C2H4AsClFI(chlorofluoromethyl)(iodomethyl)arsaneN106IC[As]([H])C(F)ClInChI=1S/C2H4AsClFI/c4-2(5)3-1-6/h2-3H,1H2InChIKey=LVSBWPJKYGUBCH-UHFFFAOYSA-N190.1Ex 190.12(BP est) 0.03(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(F)Cl 0Pred
FC[AsH]C(I)Cl19447284.328C2H4AsClFI(chloroiodomethyl)(fluoromethyl)arsaneN106FC[As]([H])C(I)ClInChI=1S/C2H4AsClFI/c4-2(6)3-1-5/h2-3H,1H2InChIKey=RZMCYNGMHAEIEL-UHFFFAOYSA-N190.1Ex 190.12(BP est) 0.03(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(I)Cl 0Pred
ClC[AsH]C(I)F19448284.328C2H4AsClFI(chloromethyl)(fluoroiodomethyl)arsaneN106ClC[As]([H])C(I)FInChI=1S/C2H4AsClFI/c4-1-3-2(5)6/h2-3H,1H2InChIKey=VWEUMLMBNHYEHY-UHFFFAOYSA-N201.1Ex 201.10(BP est) 3.24(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(I)F 3.2Pred
[AsH2]C(Cl)(Cl)I19449286.753CH2AsCl2I(dichloroiodomethyl)arsaneN75[As]([H])([H])C(Cl)(Cl)IInChI=1S/CH2AsCl2I/c2-1(3,4)5/h2H2InChIKey=OHKIQEYQQMPNTE-UHFFFAOYSA-N182.8Ex 182.79(BP est) 23.81(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(Cl)I 23.8Pred
[AsH2]C(Br)=C(Cl)Br19450296.218C2H2AsBr2Cl(1,2-dibromo-2-chlorovinyl)arsaneN86[As]([H])([H])C(Br)=C(Cl)BrInChI=1S/C2H2AsBr2Cl/c3-1(4)2(5)6/h3H2InChIKey=MMPASDBXCMWARE-UHFFFAOYSA-N219.8Ex 219.78(BP est) 30.46(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(Cl)Br 30.5Pred
[AsH2]C(Cl)=C(Br)Br19451296.218C2H2AsBr2Cl(2,2-dibromo-1-chlorovinyl)arsaneN86[As]([H])([H])C(Cl)=C(Br)BrInChI=1S/C2H2AsBr2Cl/c3-1(6)2(4)5/h3H2InChIKey=WWLFOEAKUZLFNB-UHFFFAOYSA-N219.8Ex 219.78(BP est) 30.46(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(Br)Br 30.5Pred
ClC1[AsH]C1(Br)Br19452296.218C2H2AsBr2Cl2,2-dibromo-3-chloroarsiraneN86ClC1[As]([H])C1(Br)BrInChI=1S/C2H2AsBr2Cl/c4-2(5)1(6)3-2/h1,3HInChIKey=IXZYLZKERBDIJX-UHFFFAOYSA-N220.5Ex 220.52(BP est) 41.27(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(Br)Br 41.3Pred
BrC1[AsH]C1(Br)Cl19453296.218C2H2AsBr2Cl2,3-dibromo-2-chloroarsiraneN86BrC1[As]([H])C1(Br)ClInChI=1S/C2H2AsBr2Cl/c4-1-2(5,6)3-1/h1,3HInChIKey=QTKGZQPJTYJRAT-UHFFFAOYSA-N210.1Ex 210.08(BP est) 36.70(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(Br)Cl 36.7Pred
[AsH2]C(I)Br19454296.765CH3AsBrI(bromoiodomethyl)arsaneN74[As]([H])([H])C(I)BrInChI=1S/CH3AsBrI/c2-1(3)4/h1H,2H2InChIKey=XVURJQSLGXJGHI-UHFFFAOYSA-N192.2Ex 192.24(BP est) 17.84(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)Br 17.8Pred
O[As](O)C(Br)(Br)Cl19455316.205CH2AsBr2ClO2(dibromochloromethyl)arsonous acidN97O[As](O)C(Br)(Br)ClInChI=1S/CH2AsBr2ClO2/c3-1(4,5)2(6)7/h6-7HInChIKey=PUPNMUGVHVYIPR-UHFFFAOYSA-N331.9Ex 331.88(BP est) 103.86(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Br)Cl 103.9Pred
[AsH2]C(Br)(Br)CCl19456298.234C2H4AsBr2Cl(1,1-dibromo-2-chloroethyl)arsaneN106[As]([H])([H])C(Br)(Br)CClInChI=1S/C2H4AsBr2Cl/c3-2(4,5)1-6/h1,3H2InChIKey=GZKFTLUYYXZDCD-UHFFFAOYSA-N227.6Ex 227.63(BP est) 45.32(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)CCl 45.3Pred
[AsH2]C(Br)(Cl)CBr19457298.234C2H4AsBr2Cl(1,2-dibromo-1-chloroethyl)arsaneN106[As]([H])([H])C(Br)(Cl)CBrInChI=1S/C2H4AsBr2Cl/c3-2(5,6)1-4/h1,3H2InChIKey=ACTVKOASPLCHFO-UHFFFAOYSA-N206.8Ex 206.80(BP est) 29.68(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Cl)CBr 29.7Pred
[AsH2]C(C(Cl)Br)Br19458298.234C2H4AsBr2Cl(1,2-dibromo-2-chloroethyl)arsaneN106[As]([H])([H])C(C(Cl)Br)BrInChI=1S/C2H4AsBr2Cl/c3-1(4)2(5)6/h1-2H,3H2InChIKey=RCNOQBRJXOQQMQ-UHFFFAOYSA-N213.4Ex 213.37(BP est) 28.96(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)Br)Br 29Pred
[AsH2]C(C(Br)Br)Cl19459298.234C2H4AsBr2Cl(2,2-dibromo-1-chloroethyl)arsaneN106[As]([H])([H])C(C(Br)Br)ClInChI=1S/C2H4AsBr2Cl/c3-1(6)2(4)5/h1-2H,3H2InChIKey=YVTFDTGHNXICJL-UHFFFAOYSA-N213.4Ex 213.37(BP est) 28.96(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)Br)Cl 29Pred
[AsH2]CC(Br)(Br)Cl19460298.234C2H4AsBr2Cl(2,2-dibromo-2-chloroethyl)arsaneN106[As]([H])([H])CC(Br)(Br)ClInChI=1S/C2H4AsBr2Cl/c3-1-2(4,5)6/h1,3H2InChIKey=XPLYPQPCZPHJKK-UHFFFAOYSA-N206.8Ex 206.80(BP est) 29.68(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Br)Cl 29.7Pred
BrC[AsH]C(Cl)Br19461298.234C2H4AsBr2Cl(bromochloromethyl)(bromomethyl)arsaneN106BrC[As]([H])C(Cl)BrInChI=1S/C2H4AsBr2Cl/c4-1-3-2(5)6/h2-3H,1H2InChIKey=SQDWTXOZNUKKMR-UHFFFAOYSA-N223.1Ex 223.10(BP est) 32.29(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(Cl)Br 32.3Pred
ClC[AsH]C(Br)Br19462298.234C2H4AsBr2Cl(chloromethyl)(dibromomethyl)arsaneN106ClC[As]([H])C(Br)BrInChI=1S/C2H4AsBr2Cl/c4-2(5)3-1-6/h2-3H,1H2InChIKey=ZSBHTWIAPSZBPU-UHFFFAOYSA-N233.2Ex 233.24(BP est) 36.24(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(Br)Br 36.2Pred
C[AsH]C(Br)(Br)Cl19463298.234C2H4AsBr2Cl(dibromochloromethyl)(methyl)arsaneN106C[As]([H])C(Br)(Br)ClInChI=1S/C2H4AsBr2Cl/c1-3-2(4,5)6/h3H,1H3InChIKey=QNPLIPXZAKNVTG-UHFFFAOYSA-N205.0Ex 204.99(BP est) 31.05(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(Br)Cl 31.1Pred
[AsH2]C(Cl)=C(I)Cl19464298.764C2H2AsCl2I(1,2-dichloro-2-iodovinyl)arsaneN86[As]([H])([H])C(Cl)=C(I)ClInChI=1S/C2H2AsCl2I/c3-1(4)2(5)6/h3H2InChIKey=OIQSNMVMPBFPRQ-UHFFFAOYSA-N214.4Ex 214.40(BP est) 20.97(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(I)Cl 21Pred
[AsH2]C(I)=C(Cl)Cl19465298.764C2H2AsCl2I(2,2-dichloro-1-iodovinyl)arsaneN86[As]([H])([H])C(I)=C(Cl)ClInChI=1S/C2H2AsCl2I/c3-1(6)2(4)5/h3H2InChIKey=LUCZTBCHYIEEQJ-UHFFFAOYSA-N214.4Ex 214.40(BP est) 20.97(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(Cl)Cl 21Pred
IC1[AsH]C1(Cl)Cl19466298.764C2H2AsCl2I2,2-dichloro-3-iodoarsiraneN86IC1[As]([H])C1(Cl)ClInChI=1S/C2H2AsCl2I/c4-2(5)1(6)3-2/h1,3HInChIKey=VQOUOEBTXRLDKI-UHFFFAOYSA-N206.3Ex 206.32(BP est) 27.14(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(Cl)Cl 27.1Pred
ClC1[AsH]C1(Cl)I19467298.764C2H2AsCl2I2,3-dichloro-2-iodoarsiraneN86ClC1[As]([H])C1(Cl)IInChI=1S/C2H2AsCl2I/c4-1-2(5,6)3-1/h1,3HInChIKey=WFUWMSHSLQNJCN-UHFFFAOYSA-N216.9Ex 216.86(BP est) 38.03(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(Cl)I 38Pred
O[As](O)C(Cl)(Cl)I19468318.751CH2AsCl2IO2(dichloroiodomethyl)arsonous acidN97O[As](O)C(Cl)(Cl)IInChI=1S/CH2AsCl2IO2/c3-1(4,5)2(6)7/h6-7HInChIKey=CFNBNKCNJIYHGF-UHFFFAOYSA-N329.4Ex 329.44(BP est) 100.29(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Cl)(Cl)I 100.3Pred
[AsH2]C(Cl)(Cl)CI19469300.78C2H4AsCl2I(1,1-dichloro-2-iodoethyl)arsaneN106[As]([H])([H])C(Cl)(Cl)CIInChI=1S/C2H4AsCl2I/c3-2(4,5)1-6/h1,3H2InChIKey=ZDFVJVSORUDCRD-UHFFFAOYSA-N203.0Ex 203.01(BP est) 25.20(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(Cl)CI 25.2Pred
[AsH2]C(Cl)(I)CCl19470300.78C2H4AsCl2I(1,2-dichloro-1-iodoethyl)arsaneN106[As]([H])([H])C(Cl)(I)CClInChI=1S/C2H4AsCl2I/c3-2(5,6)1-4/h1,3H2InChIKey=GVDFTJZDBTYCIE-UHFFFAOYSA-N224.0Ex 224.03(BP est) 33.38(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)CCl 33.4Pred
[AsH2]C(C(I)Cl)Cl19471300.78C2H4AsCl2I(1,2-dichloro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)Cl)ClInChI=1S/C2H4AsCl2I/c3-1(4)2(5)6/h1-2H,3H2InChIKey=IOWLFKGWKZVKPN-UHFFFAOYSA-N220.1Ex 220.10(BP est) 24.13(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)Cl)Cl 24.1Pred
[AsH2]C(C(Cl)Cl)I19472300.78C2H4AsCl2I(2,2-dichloro-1-iodoethyl)arsaneN106[As]([H])([H])C(C(Cl)Cl)IInChI=1S/C2H4AsCl2I/c3-1(6)2(4)5/h1-2H,3H2InChIKey=AJQHSOQAKHNWBP-UHFFFAOYSA-N220.1Ex 220.10(BP est) 24.13(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)Cl)I 24.1Pred
[AsH2]CC(Cl)(Cl)I19473300.78C2H4AsCl2I(2,2-dichloro-2-iodoethyl)arsaneN106[As]([H])([H])CC(Cl)(Cl)IInChI=1S/C2H4AsCl2I/c3-1-2(4,5)6/h1,3H2InChIKey=IMNIJNJOPWWVSM-UHFFFAOYSA-N203.0Ex 203.01(BP est) 25.20(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)(Cl)I 25.2Pred
ClC[AsH]C(I)Cl19474300.78C2H4AsCl2I(chloroiodomethyl)(chloromethyl)arsaneN106ClC[As]([H])C(I)ClInChI=1S/C2H4AsCl2I/c4-1-3-2(5)6/h2-3H,1H2InChIKey=AUUDTBDQJUIRJO-UHFFFAOYSA-N239.6Ex 239.64(BP est) 29.15(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(I)Cl 29.2Pred
C[AsH]C(Cl)(Cl)I19475300.78C2H4AsCl2I(dichloroiodomethyl)(methyl)arsaneN106C[As]([H])C(Cl)(Cl)IInChI=1S/C2H4AsCl2I/c1-3-2(4,5)6/h3H,1H3InChIKey=UWRCDHSPHDNPTF-UHFFFAOYSA-N201.2Ex 201.18(BP est) 26.63(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(Cl)I 26.6Pred
IC[AsH]C(Cl)Cl19476300.78C2H4AsCl2I(dichloromethyl)(iodomethyl)arsaneN106IC[As]([H])C(Cl)ClInChI=1S/C2H4AsCl2I/c4-2(5)3-1-6/h2-3H,1H2InChIKey=YSUOYNRGJLCGPG-UHFFFAOYSA-N229.7Ex 229.67(BP est) 26.24(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(Cl)Cl 26.2Pred
[AsH2]C(Br)=CI19477308.776C2H3AsBrI(1-bromo-2-iodovinyl)arsaneN85[As]([H])([H])C(Br)=CIInChI=1S/C2H3AsBrI/c3-2(4)1-5/h1H,3H2InChIKey=KUYAMAWRTRSDAP-UHFFFAOYSA-N224.2Ex 224.21(BP est) 30.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=CI 30.8Pred
[AsH2]C(I)=CBr19478308.776C2H3AsBrI(2-bromo-1-iodovinyl)arsaneN85[As]([H])([H])C(I)=CBrInChI=1S/C2H3AsBrI/c3-2(5)1-4/h1H,3H2InChIKey=PHJMLJDCLZUMAA-UHFFFAOYSA-N224.2Ex 224.21(BP est) 30.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=CBr 30.8Pred
[AsH2]C=C(I)Br19479308.776C2H3AsBrI(2-bromo-2-iodovinyl)arsaneN85[As]([H])([H])C=C(I)BrInChI=1S/C2H3AsBrI/c3-1-2(4)5/h1H,3H2InChIKey=RTNZAPDIAWWGBN-UHFFFAOYSA-N224.2Ex 224.21(BP est) 30.79(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(I)Br 30.8Pred
BrC1(I)[AsH]C119480308.776C2H3AsBrI2-bromo-2-iodoarsiraneN85BrC1(I)[As]([H])C1InChI=1S/C2H3AsBrI/c4-2(5)1-3-2/h3H,1H2InChIKey=LTUQNSRBZDMTPV-UHFFFAOYSA-N213.2Ex 213.23(BP est) 31.22(MP est) ----(BP exp) ----(MP exp) BrC1(I)[As]([H])C1 31.2Pred
BrC1[AsH]C1I19481308.776C2H3AsBrI2-bromo-3-iodoarsiraneN85BrC1[As]([H])C1IInChI=1S/C2H3AsBrI/c4-1-2(5)3-1/h1-3HInChIKey=BFDYCOZFMMLHPN-UHFFFAOYSA-N217.8Ex 217.79(BP est) 30.41(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1I 30.4Pred
O[As](O)C(I)Br19482328.763CH3AsBrIO2(bromoiodomethyl)arsonous acidN96O[As](O)C(I)BrInChI=1S/CH3AsBrIO2/c3-1(4)2(5)6/h1,5-6HInChIKey=IIDCBSNVBGZVCV-UHFFFAOYSA-N335.2Ex 335.23(BP est) 96.72(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)Br 96.7Pred
[AsH2]C(Br)(I)C19483310.792C2H5AsBrI(1-bromo-1-iodoethyl)arsaneN105[As]([H])([H])C(Br)(I)CInChI=1S/C2H5AsBrI/c1-2(3,4)5/h3H2,1H3InChIKey=ZGDGVZRFDPKQJO-UHFFFAOYSA-N204.3Ex 204.30(BP est) 25.68(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)C 25.7Pred
[AsH2]C(CI)Br19484310.792C2H5AsBrI(1-bromo-2-iodoethyl)arsaneN105[As]([H])([H])C(CI)BrInChI=1S/C2H5AsBrI/c3-2(4)1-5/h2H,1,3H2InChIKey=LYPOEEIZJUQLKN-UHFFFAOYSA-N212.1Ex 212.05(BP est) 29.26(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CI)Br 29.3Pred
[AsH2]C(CBr)I19485310.792C2H5AsBrI(2-bromo-1-iodoethyl)arsaneN105[As]([H])([H])C(CBr)IInChI=1S/C2H5AsBrI/c3-2(5)1-4/h2H,1,3H2InChIKey=SFOJEHDGLSQEBF-UHFFFAOYSA-N212.1Ex 212.05(BP est) 29.26(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CBr)I 29.3Pred
[AsH2]CC(I)Br19486310.792C2H5AsBrI(2-bromo-2-iodoethyl)arsaneN105[As]([H])([H])CC(I)BrInChI=1S/C2H5AsBrI/c3-1-2(4)5/h2H,1,3H2InChIKey=QKUBJXJJONMVAT-UHFFFAOYSA-N212.1Ex 212.05(BP est) 29.26(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)Br 29.3Pred
C[AsH]C(I)Br19487310.792C2H5AsBrI(bromoiodomethyl)(methyl)arsaneN105C[As]([H])C(I)BrInChI=1S/C2H5AsBrI/c1-3-2(4)5/h2-3H,1H3InChIKey=WBHNLZODZZDVMN-UHFFFAOYSA-N210.3Ex 210.25(BP est) 20.55(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)Br 20.6Pred
BrC[AsH]CI19488310.792C2H5AsBrI(bromomethyl)(iodomethyl)arsaneN105BrC[As]([H])CIInChI=1S/C2H5AsBrI/c4-1-3-2-5/h3H,1-2H2InChIKey=WSLYLZOIIJZQQX-UHFFFAOYSA-N221.8Ex 221.81(BP est) 31.43(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CI 31.4Pred
[AsH2]C(Br)(F)I19489314.755CH2AsBrFI(bromofluoroiodomethyl)arsaneN75[As]([H])([H])C(Br)(F)IInChI=1S/CH2AsBrFI/c2-1(3,4)5/h2H2InChIKey=XCSIFHKOYSLTEY-UHFFFAOYSA-N186.2Ex 186.15(BP est) 25.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)I 25.1Pred
[AsH2]C(Br)(I)C#C19490320.787C3H3AsBrI(1-bromo-1-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(Br)(I)C#CInChI=1S/C3H3AsBrI/c1-2-3(4,5)6/h1H,4H2InChIKey=UKPDGSZMGYJEAD-UHFFFAOYSA-N230.1Ex 230.11(BP est) 46.53(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)C#C 46.5Pred
[AsH2]C(C#CI)Br19491320.787C3H3AsBrI(1-bromo-3-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CI)BrInChI=1S/C3H3AsBrI/c4-3(5)1-2-6/h3H,4H2InChIKey=GYPNIVAFCNVDKU-UHFFFAOYSA-N244.1Ex 244.08(BP est) 63.08(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CI)Br 63.1Pred
[AsH2]C(C#CBr)I19492320.787C3H3AsBrI(3-bromo-1-iodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CBr)IInChI=1S/C3H3AsBrI/c4-3(6)1-2-5/h3H,4H2InChIKey=WQTZMHDDFLABSZ-UHFFFAOYSA-N244.1Ex 244.08(BP est) 63.08(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CBr)I 63.1Pred
IC[AsH]C#CBr19493320.787C3H3AsBrI(bromoethynyl)(iodomethyl)arsaneN96IC[As]([H])C#CBrInChI=1S/C3H3AsBrI/c5-2-1-4-3-6/h4H,3H2InChIKey=WEVDZPJJJZHWHY-UHFFFAOYSA-N253.0Ex 253.04(BP est) 66.66(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C#CBr 66.7Pred
BrC(I)[AsH]C#C19494320.787C3H3AsBrI(bromoiodomethyl)(ethynyl)arsaneN96BrC(I)[As]([H])C#CInChI=1S/C3H3AsBrI/c1-2-4-3(5)6/h1,3-4HInChIKey=OQVNGYGTVAJQEJ-UHFFFAOYSA-N235.7Ex 235.69(BP est) 46.05(MP est) ----(BP exp) ----(MP exp) BrC(I)[As]([H])C#C 46.1Pred
BrC[AsH]C#CI19495320.787C3H3AsBrI(bromomethyl)(iodoethynyl)arsaneN96BrC[As]([H])C#CIInChI=1S/C3H3AsBrI/c5-3-4-1-2-6/h4H,3H2InChIKey=VUWGYIVJEFPWSJ-UHFFFAOYSA-N253.0Ex 253.04(BP est) 66.66(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C#CI 66.7Pred
BrC1(I)[AsH]C=C119496320.787C3H3AsBrI2-bromo-2-iodo-1,2-dihydroarseteN96BrC1(I)[As]([H])C=C1InChI=1S/C3H3AsBrI/c5-3(6)1-2-4-3/h1-2,4HInChIKey=AABTXSOZKQNNFQ-UHFFFAOYSA-N236.2Ex 236.16(BP est) 49.78(MP est) ----(BP exp) ----(MP exp) BrC1(I)[As]([H])C=C1 49.8Pred
BrC1[AsH]C=C1I19497320.787C3H3AsBrI2-bromo-3-iodo-1,2-dihydroarseteN96BrC1[As]([H])C=C1IInChI=1S/C3H3AsBrI/c5-3-2(6)1-4-3/h1,3-4HInChIKey=COYHIGITOKYIJJ-UHFFFAOYSA-N244.1Ex 244.11(BP est) 49.08(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C=C1I 49.1Pred
BrC1[AsH]C(I)=C119498320.787C3H3AsBrI2-bromo-4-iodo-1,2-dihydroarseteN96BrC1[As]([H])C(I)=C1InChI=1S/C3H3AsBrI/c5-2-1-3(6)4-2/h1-2,4HInChIKey=VQWMRCHMZGGZOH-UHFFFAOYSA-N244.1Ex 244.11(BP est) 49.08(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C(I)=C1 49.1Pred
IC1[AsH]C=C1Br19499320.787C3H3AsBrI3-bromo-2-iodo-1,2-dihydroarseteN96IC1[As]([H])C=C1BrInChI=1S/C3H3AsBrI/c5-2-1-4-3(2)6/h1,3-4HInChIKey=YAEDWSFCLLKVGR-UHFFFAOYSA-N244.1Ex 244.11(BP est) 49.08(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C=C1Br 49.1Pred
IC1=C(Br)C[AsH]119500320.787C3H3AsBrI3-bromo-4-iodo-1,2-dihydroarseteN96IC1=C(Br)C[As]([H])1InChI=1S/C3H3AsBrI/c5-2-1-4-3(2)6/h4H,1H2InChIKey=SFRGRONCJIBVNR-UHFFFAOYSA-N247.7Ex 247.72(BP est) 56.07(MP est) ----(BP exp) ----(MP exp) IC1=C(Br)C[As]([H])1 56.1Pred
IC1[AsH]C(Br)=C119501320.787C3H3AsBrI4-bromo-2-iodo-1,2-dihydroarseteN96IC1[As]([H])C(Br)=C1InChI=1S/C3H3AsBrI/c5-2-1-3(6)4-2/h1,3-4HInChIKey=DOPLLWBMPKTNQZ-UHFFFAOYSA-N244.1Ex 244.11(BP est) 49.08(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C(Br)=C1 49.1Pred
BrC1=C(I)C[AsH]119502320.787C3H3AsBrI4-bromo-3-iodo-1,2-dihydroarseteN96BrC1=C(I)C[As]([H])1InChI=1S/C3H3AsBrI/c5-3-2(6)1-4-3/h4H,1H2InChIKey=MMVMEOSITQYVSZ-UHFFFAOYSA-N247.7Ex 247.72(BP est) 56.07(MP est) ----(BP exp) ----(MP exp) BrC1=C(I)C[As]([H])1 56.1Pred
O[As](O)C(Br)=CI19503340.774C2H3AsBrIO2(1-bromo-2-iodovinyl)arsonous acidN107O[As](O)C(Br)=CIInChI=1S/C2H3AsBrIO2/c4-2(1-5)3(6)7/h1,6-7HInChIKey=IBIDICRKZWCMIX-UHFFFAOYSA-N354.6Ex 354.59(BP est) 113.31(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)=CI 113.3Pred
O[As](O)C(I)=CBr19504340.774C2H3AsBrIO2(2-bromo-1-iodovinyl)arsonous acidN107O[As](O)C(I)=CBrInChI=1S/C2H3AsBrIO2/c4-1-2(5)3(6)7/h1,6-7HInChIKey=BUAOQCFMUGHHMG-UHFFFAOYSA-N354.6Ex 354.59(BP est) 113.31(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)=CBr 113.3Pred
O[As](O)C=C(I)Br19505340.774C2H3AsBrIO2(2-bromo-2-iodovinyl)arsonous acidN107O[As](O)C=C(I)BrInChI=1S/C2H3AsBrIO2/c4-2(5)1-3(6)7/h1,6-7HInChIKey=RLPWTJGBJFGNNF-UHFFFAOYSA-N354.6Ex 354.59(BP est) 113.31(MP est) ----(BP exp) ----(MP exp) O[As](O)C=C(I)Br 113.3Pred
[AsH2]C(Br)(I)C=C19506322.803C3H5AsBrI(1-bromo-1-iodoallyl)arsaneN116[As]([H])([H])C(Br)(I)C=CInChI=1S/C3H5AsBrI/c1-2-3(4,5)6/h2H,1,4H2InChIKey=LEXWLCLNVFFZOA-UHFFFAOYSA-N222.2Ex 222.16(BP est) 35.80(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)C=C 35.8Pred
[AsH2]C(C(I)=C)Br19507322.803C3H5AsBrI(1-bromo-2-iodoallyl)arsaneN116[As]([H])([H])C(C(I)=C)BrInChI=1S/C3H5AsBrI/c1-2(6)3(4)5/h3H,1,4H2InChIKey=LRFYOWUKAXSNPO-UHFFFAOYSA-N224.5Ex 224.48(BP est) 30.67(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)=C)Br 30.7Pred
C[AsH]C(Br)=CI19508322.803C3H5AsBrI(1-bromo-2-iodovinyl)(methyl)arsaneN116C[As]([H])C(Br)=CIInChI=1S/C3H5AsBrI/c1-4-3(5)2-6/h2,4H,1H3InChIKey=XHBQBVRPXMQPAX-UHFFFAOYSA-N240.9Ex 240.88(BP est) 33.11(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)=CI 33.1Pred
[AsH2]C(C=CI)Br19509322.803C3H5AsBrI(1-bromo-3-iodoallyl)arsaneN116[As]([H])([H])C(C=CI)BrInChI=1S/C3H5AsBrI/c4-3(5)1-2-6/h1-3H,4H2InChIKey=XZVRAPQBWCKOLY-UHFFFAOYSA-N236.6Ex 236.59(BP est) 39.52(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CI)Br 39.5Pred
IC[AsH]C(Br)=C19510322.803C3H5AsBrI(1-bromovinyl)(iodomethyl)arsaneN116IC[As]([H])C(Br)=CInChI=1S/C3H5AsBrI/c1-3(5)4-2-6/h4H,1-2H2InChIKey=QNTGZURTGRAAJE-UHFFFAOYSA-N233.9Ex 233.94(BP est) 32.74(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(Br)=C 32.7Pred
[AsH2]C(C(Br)=C)I19511322.803C3H5AsBrI(2-bromo-1-iodoallyl)arsaneN116[As]([H])([H])C(C(Br)=C)IInChI=1S/C3H5AsBrI/c1-2(5)3(4)6/h3H,1,4H2InChIKey=DZUYQODFUSUJPY-UHFFFAOYSA-N224.5Ex 224.48(BP est) 30.67(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)=C)I 30.7Pred
C[AsH]C(I)=CBr19512322.803C3H5AsBrI(2-bromo-1-iodovinyl)(methyl)arsaneN116C[As]([H])C(I)=CBrInChI=1S/C3H5AsBrI/c1-4-3(6)2-5/h2,4H,1H3InChIKey=LIQHLWWWUIGOAQ-UHFFFAOYSA-N240.9Ex 240.88(BP est) 33.11(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)=CBr 33.1Pred
C[AsH]C=C(I)Br19513322.803C3H5AsBrI(2-bromo-2-iodovinyl)(methyl)arsaneN116C[As]([H])C=C(I)BrInChI=1S/C3H5AsBrI/c1-4-2-3(5)6/h2,4H,1H3InChIKey=WXQVZDDNPUCIJH-UHFFFAOYSA-N240.9Ex 240.88(BP est) 33.11(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(I)Br 33.1Pred
[AsH2]CC(Br)=CI19514322.803C3H5AsBrI(2-bromo-3-iodoallyl)arsaneN116[As]([H])([H])CC(Br)=CIInChI=1S/C3H5AsBrI/c4-1-3(5)2-6/h2H,1,4H2InChIKey=VURBJSQZHOJDOP-UHFFFAOYSA-N242.5Ex 242.54(BP est) 41.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)=CI 41.8Pred
IC[AsH]C=CBr19515322.803C3H5AsBrI(2-bromovinyl)(iodomethyl)arsaneN116IC[As]([H])C=CBrInChI=1S/C3H5AsBrI/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=UVCOOODYMORNGG-UHFFFAOYSA-N245.8Ex 245.75(BP est) 41.51(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C=CBr 41.5Pred
[AsH2]C(C=CBr)I19516322.803C3H5AsBrI(3-bromo-1-iodoallyl)arsaneN116[As]([H])([H])C(C=CBr)IInChI=1S/C3H5AsBrI/c4-3(6)1-2-5/h1-3H,4H2InChIKey=QVNRDDDYGYHZQZ-UHFFFAOYSA-N236.6Ex 236.59(BP est) 39.52(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CBr)I 39.5Pred
[AsH2]CC(I)=CBr19517322.803C3H5AsBrI(3-bromo-2-iodoallyl)arsaneN116[As]([H])([H])CC(I)=CBrInChI=1S/C3H5AsBrI/c4-1-3(6)2-5/h2H,1,4H2InChIKey=ONCVFNNVUZNZOK-UHFFFAOYSA-N242.5Ex 242.54(BP est) 41.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)=CBr 41.8Pred
[AsH2]CC=C(I)Br19518322.803C3H5AsBrI(3-bromo-3-iodoallyl)arsaneN116[As]([H])([H])CC=C(I)BrInChI=1S/C3H5AsBrI/c4-2-1-3(5)6/h1H,2,4H2InChIKey=WOOOZBPLPUEMKH-UHFFFAOYSA-N242.5Ex 242.54(BP est) 41.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(I)Br 41.8Pred
BrC(I)[AsH]C=C19519322.803C3H5AsBrI(bromoiodomethyl)(vinyl)arsaneN116BrC(I)[As]([H])C=CInChI=1S/C3H5AsBrI/c1-2-4-3(5)6/h2-4H,1H2InChIKey=TWFAQJUSMIBQAC-UHFFFAOYSA-N227.9Ex 227.85(BP est) 30.45(MP est) ----(BP exp) ----(MP exp) BrC(I)[As]([H])C=C 30.5Pred
BrC[AsH]C(I)=C19520322.803C3H5AsBrI(bromomethyl)(1-iodovinyl)arsaneN116BrC[As]([H])C(I)=CInChI=1S/C3H5AsBrI/c1-3(6)4-2-5/h4H,1-2H2InChIKey=YOROQASPVJHEIL-UHFFFAOYSA-N233.9Ex 233.94(BP est) 32.74(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(I)=C 32.7Pred
BrC[AsH]C=CI19521322.803C3H5AsBrI(bromomethyl)(2-iodovinyl)arsaneN116BrC[As]([H])C=CIInChI=1S/C3H5AsBrI/c5-3-4-1-2-6/h1-2,4H,3H2InChIKey=ZQJHMHHIZDATOZ-UHFFFAOYSA-N245.8Ex 245.75(BP est) 41.51(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C=CI 41.5Pred
BrC(I)[As]1CC119522322.803C3H5AsBrI1-(bromoiodomethyl)arsiraneN116BrC(I)[As]1CC1InChI=1S/C3H5AsBrI/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=KCNPKGQYSGDOBL-UHFFFAOYSA-N234.3Ex 234.32(BP est) 37.88(MP est) ----(BP exp) ----(MP exp) BrC(I)[As]1CC1 37.9Pred
BrC[As]1CC1I19523322.803C3H5AsBrI1-(bromomethyl)-2-iodoarsiraneN116BrC[As]1CC1IInChI=1S/C3H5AsBrI/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=PLPBTQFGQKURHK-UHFFFAOYSA-N240.0Ex 240.00(BP est) 44.92(MP est) ----(BP exp) ----(MP exp) BrC[As]1CC1I 44.9Pred
IC[As]1CC1Br19524322.803C3H5AsBrI2-bromo-1-(iodomethyl)arsiraneN116IC[As]1CC1BrInChI=1S/C3H5AsBrI/c5-3-1-4(3)2-6/h3H,1-2H2InChIKey=SCCQHHIORHWHBK-UHFFFAOYSA-N240.0Ex 240.00(BP est) 44.92(MP est) ----(BP exp) ----(MP exp) IC[As]1CC1Br 44.9Pred
C[As]1CC1(Br)I19525322.803C3H5AsBrI2-bromo-2-iodo-1-methylarsiraneN116C[As]1CC1(Br)IInChI=1S/C3H5AsBrI/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=MAXQJWHLOJQIDK-UHFFFAOYSA-N230.4Ex 230.37(BP est) 42.99(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(Br)I 43Pred
BrC1(I)[AsH]CC119526322.803C3H5AsBrI2-bromo-2-iodoarsetaneN116BrC1(I)[As]([H])CC1InChI=1S/C3H5AsBrI/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=HPWVCTVFOATUAQ-UHFFFAOYSA-N233.8Ex 233.76(BP est) 48.59(MP est) ----(BP exp) ----(MP exp) BrC1(I)[As]([H])CC1 48.6Pred
C[As]1C(Br)C1I19527322.803C3H5AsBrI2-bromo-3-iodo-1-methylarsiraneN116C[As]1C(Br)C1IInChI=1S/C3H5AsBrI/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=BJQSMYLDAYFKSV-UHFFFAOYSA-N234.7Ex 234.74(BP est) 41.26(MP est) ----(BP exp) ----(MP exp) C[As]1C(Br)C1I 41.3Pred
BrC1[AsH]CC1I19528322.803C3H5AsBrI2-bromo-3-iodoarsetaneN116BrC1[As]([H])CC1IInChI=1S/C3H5AsBrI/c5-3-2(6)1-4-3/h2-4H,1H2InChIKey=SMGYGCFDHOKKKD-UHFFFAOYSA-N238.1Ex 238.09(BP est) 40.90(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])CC1I 40.9Pred
BrC1[AsH]C(I)C119529322.803C3H5AsBrI2-bromo-4-iodoarsetaneN116BrC1[As]([H])C(I)C1InChI=1S/C3H5AsBrI/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=FLGFNFAUQRWRGP-UHFFFAOYSA-N238.1Ex 238.09(BP est) 40.90(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C(I)C1 40.9Pred
IC1[AsH]CC1Br19530322.803C3H5AsBrI3-bromo-2-iodoarsetaneN116IC1[As]([H])CC1BrInChI=1S/C3H5AsBrI/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=XLMYAOLJZSUBGM-UHFFFAOYSA-N238.1Ex 238.09(BP est) 40.90(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])CC1Br 40.9Pred
BrC1(I)C[AsH]C119531322.803C3H5AsBrI3-bromo-3-iodoarsetaneN116BrC1(I)C[As]([H])C1InChI=1S/C3H5AsBrI/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=BUJZZZUQWJNEOP-UHFFFAOYSA-N233.8Ex 233.76(BP est) 48.59(MP est) ----(BP exp) ----(MP exp) BrC1(I)C[As]([H])C1 48.6Pred
O[As](O)C(Br)(I)C19532342.79C2H5AsBrIO2(1-bromo-1-iodoethyl)arsonous acidN127O[As](O)C(Br)(I)CInChI=1S/C2H5AsBrIO2/c1-2(4,5)3(6)7/h6-7H,1H3InChIKey=IEGQJKGZPSJBFP-UHFFFAOYSA-N342.5Ex 342.50(BP est) 109.11(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(I)C 109.1Pred
O[As](O)C(CI)Br19533342.79C2H5AsBrIO2(1-bromo-2-iodoethyl)arsonous acidN127O[As](O)C(CI)BrInChI=1S/C2H5AsBrIO2/c4-2(1-5)3(6)7/h2,6-7H,1H2InChIKey=ZKYPJXGCRXLNJP-UHFFFAOYSA-N347.2Ex 347.19(BP est) 105.13(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CI)Br 105.1Pred
O[As](O)C(CBr)I19534342.79C2H5AsBrIO2(2-bromo-1-iodoethyl)arsonous acidN127O[As](O)C(CBr)IInChI=1S/C2H5AsBrIO2/c4-1-2(5)3(6)7/h2,6-7H,1H2InChIKey=KMFGKLLMYALOBX-UHFFFAOYSA-N347.2Ex 347.19(BP est) 105.13(MP est) ----(BP exp) ----(MP exp) O[As](O)C(CBr)I 105.1Pred
O[As](O)CC(I)Br19535342.79C2H5AsBrIO2(2-bromo-2-iodoethyl)arsonous acidN127O[As](O)CC(I)BrInChI=1S/C2H5AsBrIO2/c4-2(5)1-3(6)7/h2,6-7H,1H2InChIKey=GSAXHGOBQXCKAQ-UHFFFAOYSA-N347.2Ex 347.19(BP est) 105.13(MP est) ----(BP exp) ----(MP exp) O[As](O)CC(I)Br 105.1Pred
C[AsH]C(Br)(I)C19536324.819C3H7AsBrI(1-bromo-1-iodoethyl)(methyl)arsaneN136C[As]([H])C(Br)(I)CInChI=1S/C3H7AsBrI/c1-3(5,6)4-2/h4H,1-2H3InChIKey=RXLXIYZHKOXGQB-UHFFFAOYSA-N221.8Ex 221.82(BP est) 30.80(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(I)C 30.8Pred
[AsH2]C(Br)(I)CC19537324.819C3H7AsBrI(1-bromo-1-iodopropyl)arsaneN136[As]([H])([H])C(Br)(I)CCInChI=1S/C3H7AsBrI/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=KODWZCQLAWLWSX-UHFFFAOYSA-N223.6Ex 223.57(BP est) 36.94(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)CC 36.9Pred
C[AsH]C(CI)Br19538324.819C3H7AsBrI(1-bromo-2-iodoethyl)(methyl)arsaneN136C[As]([H])C(CI)BrInChI=1S/C3H7AsBrI/c1-4-3(5)2-6/h3-4H,2H2,1H3InChIKey=OWKNHUBWFCYKGM-UHFFFAOYSA-N229.2Ex 229.24(BP est) 31.73(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CI)Br 31.7Pred
[AsH2]C(C(C)I)Br19539324.819C3H7AsBrI(1-bromo-2-iodopropyl)arsaneN136[As]([H])([H])C(C(C)I)BrInChI=1S/C3H7AsBrI/c1-2(6)3(4)5/h2-3H,4H2,1H3InChIKey=RZLAICKQMHNEOH-UHFFFAOYSA-N219.7Ex 219.66(BP est) 29.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)I)Br 29.6Pred
[AsH2]C(CCI)Br19540324.819C3H7AsBrI(1-bromo-3-iodopropyl)arsaneN136[As]([H])([H])C(CCI)BrInChI=1S/C3H7AsBrI/c4-3(5)1-2-6/h3H,1-2,4H2InChIKey=CJUHMGAXOKUBTG-UHFFFAOYSA-N231.0Ex 230.95(BP est) 40.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCI)Br 40.4Pred
IC[AsH]C(C)Br19541324.819C3H7AsBrI(1-bromoethyl)(iodomethyl)arsaneN136IC[As]([H])C(C)BrInChI=1S/C3H7AsBrI/c1-3(5)4-2-6/h3-4H,2H2,1H3InChIKey=KSHMOPBOXZXFRR-UHFFFAOYSA-N229.2Ex 229.24(BP est) 31.73(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(C)Br 31.7Pred
C[AsH]C(CBr)I19542324.819C3H7AsBrI(2-bromo-1-iodoethyl)(methyl)arsaneN136C[As]([H])C(CBr)IInChI=1S/C3H7AsBrI/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=GYGNYBYPQNGYKT-UHFFFAOYSA-N229.2Ex 229.24(BP est) 31.73(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CBr)I 31.7Pred
[AsH2]C(C(C)Br)I19543324.819C3H7AsBrI(2-bromo-1-iodopropyl)arsaneN136[As]([H])([H])C(C(C)Br)IInChI=1S/C3H7AsBrI/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=QQVLXSCDRGCVEY-UHFFFAOYSA-N219.7Ex 219.66(BP est) 29.62(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)Br)I 29.6Pred
C[AsH]CC(I)Br19544324.819C3H7AsBrI(2-bromo-2-iodoethyl)(methyl)arsaneN136C[As]([H])CC(I)BrInChI=1S/C3H7AsBrI/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=GYERLEJDIAOPRE-UHFFFAOYSA-N229.2Ex 229.24(BP est) 31.73(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(I)Br 31.7Pred
[AsH2]CC(Br)(I)C19545324.819C3H7AsBrI(2-bromo-2-iodopropyl)arsaneN136[As]([H])([H])CC(Br)(I)CInChI=1S/C3H7AsBrI/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=USGPDXQBUGKETH-UHFFFAOYSA-N223.6Ex 223.57(BP est) 36.94(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(I)C 36.9Pred
[AsH2]CC(CI)Br19546324.819C3H7AsBrI(2-bromo-3-iodopropyl)arsaneN136[As]([H])([H])CC(CI)BrInChI=1S/C3H7AsBrI/c4-1-3(5)2-6/h3H,1-2,4H2InChIKey=XGAYFHGHPQJDAU-UHFFFAOYSA-N231.0Ex 230.95(BP est) 40.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CI)Br 40.4Pred
IC[AsH]CCBr19547324.819C3H7AsBrI(2-bromoethyl)(iodomethyl)arsaneN136IC[As]([H])CCBrInChI=1S/C3H7AsBrI/c5-2-1-4-3-6/h4H,1-3H2InChIKey=SMJWUKHARAVUPF-UHFFFAOYSA-N240.3Ex 240.25(BP est) 42.44(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CCBr 42.4Pred
[AsH2]C(CCBr)I19548324.819C3H7AsBrI(3-bromo-1-iodopropyl)arsaneN136[As]([H])([H])C(CCBr)IInChI=1S/C3H7AsBrI/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=ROCLSJLIWLNMLU-UHFFFAOYSA-N231.0Ex 230.95(BP est) 40.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCBr)I 40.4Pred
[AsH2]CC(CBr)I19549324.819C3H7AsBrI(3-bromo-2-iodopropyl)arsaneN136[As]([H])([H])CC(CBr)IInChI=1S/C3H7AsBrI/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=MTDRZHISXVXTHZ-UHFFFAOYSA-N231.0Ex 230.95(BP est) 40.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CBr)I 40.4Pred
[AsH2]CCC(I)Br19550324.819C3H7AsBrI(3-bromo-3-iodopropyl)arsaneN136[As]([H])([H])CCC(I)BrInChI=1S/C3H7AsBrI/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=ILNAKQLHRLBDOL-UHFFFAOYSA-N231.0Ex 230.95(BP est) 40.42(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(I)Br 40.4Pred
BrC(I)[AsH]CC19551324.819C3H7AsBrI(bromoiodomethyl)(ethyl)arsaneN136BrC(I)[As]([H])CCInChI=1S/C3H7AsBrI/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=WMOZNMKXXXIKLI-UHFFFAOYSA-N229.2Ex 229.24(BP est) 31.73(MP est) ----(BP exp) ----(MP exp) BrC(I)[As]([H])CC 31.7Pred
C[As](C(I)Br)C19552324.819C3H7AsBrI(bromoiodomethyl)dimethylarsaneN136C[As](C(I)Br)CInChI=1S/C3H7AsBrI/c1-4(2)3(5)6/h3H,1-2H3InChIKey=WVOBHPMUMFCREL-UHFFFAOYSA-N227.5Ex 227.52(BP est) 23.04(MP est) ----(BP exp) ----(MP exp) C[As](C(I)Br)C 23Pred
BrC[AsH]C(C)I19553324.819C3H7AsBrI(bromomethyl)(1-iodoethyl)arsaneN136BrC[As]([H])C(C)IInChI=1S/C3H7AsBrI/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=RXJBMVBKOBJXQU-UHFFFAOYSA-N229.2Ex 229.24(BP est) 31.73(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(C)I 31.7Pred
BrC[AsH]CCI19554324.819C3H7AsBrI(bromomethyl)(2-iodoethyl)arsaneN136BrC[As]([H])CCIInChI=1S/C3H7AsBrI/c5-3-4-1-2-6/h4H,1-3H2InChIKey=HYFZNXVSKWAIBI-UHFFFAOYSA-N240.3Ex 240.25(BP est) 42.44(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])CCI 42.4Pred
C[As](CI)CBr19555324.819C3H7AsBrI(bromomethyl)(iodomethyl)(methyl)arsaneN136C[As](CI)CBrInChI=1S/C3H7AsBrI/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=QFRPBSXVYVOWBR-UHFFFAOYSA-N238.6Ex 238.58(BP est) 33.77(MP est) ----(BP exp) ----(MP exp) C[As](CI)CBr 33.8Pred
[AsH2]C(Br)=C(I)F19556326.766C2H2AsBrFI(1-bromo-2-fluoro-2-iodovinyl)arsaneN86[As]([H])([H])C(Br)=C(I)FInChI=1S/C2H2AsBrFI/c3-1(4)2(5)6/h3H2InChIKey=AAROGBNGSASURH-UHFFFAOYSA-N220.9Ex 220.91(BP est) 23.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(I)F 23.1Pred
[AsH2]C(F)=C(I)Br19557326.766C2H2AsBrFI(2-bromo-1-fluoro-2-iodovinyl)arsaneN86[As]([H])([H])C(F)=C(I)BrInChI=1S/C2H2AsBrFI/c3-1(5)2(4)6/h3H2InChIKey=JHUVJVGAKGSHPB-UHFFFAOYSA-N220.9Ex 220.91(BP est) 23.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(I)Br 23.1Pred
[AsH2]C(I)=C(F)Br19558326.766C2H2AsBrFI(2-bromo-2-fluoro-1-iodovinyl)arsaneN86[As]([H])([H])C(I)=C(F)BrInChI=1S/C2H2AsBrFI/c3-1(6)2(4)5/h3H2InChIKey=JGOPDLQJCYSDAU-UHFFFAOYSA-N220.9Ex 220.91(BP est) 23.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(F)Br 23.1Pred
IC1[AsH]C1(Br)F19559326.766C2H2AsBrFI2-bromo-2-fluoro-3-iodoarsiraneN86IC1[As]([H])C1(Br)FInChI=1S/C2H2AsBrFI/c4-2(5)1(6)3-2/h1,3HInChIKey=VZBQSZMRSPXSNU-UHFFFAOYSA-N209.5Ex 209.50(BP est) 28.68(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(Br)F 28.7Pred
FC1[AsH]C1(Br)I19560326.766C2H2AsBrFI2-bromo-3-fluoro-2-iodoarsiraneN86FC1[As]([H])C1(Br)IInChI=1S/C2H2AsBrFI/c4-2(6)1(5)3-2/h1,3HInChIKey=ZXTWCNDQQOHMAG-UHFFFAOYSA-N209.5Ex 209.50(BP est) 28.68(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(Br)I 28.7Pred
BrC1[AsH]C1(F)I19561326.766C2H2AsBrFI3-bromo-2-fluoro-2-iodoarsiraneN86BrC1[As]([H])C1(F)IInChI=1S/C2H2AsBrFI/c4-1-2(5,6)3-1/h1,3HInChIKey=HWZXPJUUDDLGBK-UHFFFAOYSA-N209.5Ex 209.50(BP est) 28.68(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(F)I 28.7Pred
[AsH2]C(Br)(Br)Br19562328.661CH2AsBr3(tribromomethyl)arsaneN75[As]([H])([H])C(Br)(Br)BrInChI=1S/CH2AsBr3/c2-1(3,4)5/h2H2InChIKey=MCYNUPUKHGKUDI-UHFFFAOYSA-N219.4Ex 219.42(BP est) 39.86(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)Br 39.9Pred
O[As](O)C(Br)(F)I19563346.753CH2AsBrFIO2(bromofluoroiodomethyl)arsonous acidN97O[As](O)C(Br)(F)IInChI=1S/CH2AsBrFIO2/c3-1(4,5)2(6)7/h6-7HInChIKey=BNRQUUMUJQXIID-UHFFFAOYSA-N331.5Ex 331.51(BP est) 101.27(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(F)I 101.3Pred
[AsH2]C(Br)(F)CI19564328.782C2H4AsBrFI(1-bromo-1-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(Br)(F)CIInChI=1S/C2H4AsBrFI/c3-2(4,5)1-6/h1,3H2InChIKey=PWOMQEATOYWQOT-UHFFFAOYSA-N206.2Ex 206.23(BP est) 26.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(F)CI 26.6Pred
[AsH2]C(Br)(I)CF19565328.782C2H4AsBrFI(1-bromo-2-fluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(Br)(I)CFInChI=1S/C2H4AsBrFI/c3-2(4,6)1-5/h1,3H2InChIKey=NNKKELKSTVBEJD-UHFFFAOYSA-N206.2Ex 206.23(BP est) 26.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)CF 26.6Pred
[AsH2]C(C(I)F)Br19566328.782C2H4AsBrFI(1-bromo-2-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)F)BrInChI=1S/C2H4AsBrFI/c3-1(4)2(5)6/h1-2H,3H2InChIKey=VDOCQZQAOJBWBQ-UHFFFAOYSA-N202.2Ex 202.16(BP est) 19.17(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)F)Br 19.2Pred
[AsH2]C(F)(I)CBr19567328.782C2H4AsBrFI(2-bromo-1-fluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(F)(I)CBrInChI=1S/C2H4AsBrFI/c3-2(5,6)1-4/h1,3H2InChIKey=FJKJLBSAFMSTOY-UHFFFAOYSA-N206.2Ex 206.23(BP est) 26.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)CBr 26.6Pred
[AsH2]C(C(I)Br)F19568328.782C2H4AsBrFI(2-bromo-1-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)Br)FInChI=1S/C2H4AsBrFI/c3-1(5)2(4)6/h1-2H,3H2InChIKey=KSSYNGWGMOXQGQ-UHFFFAOYSA-N202.2Ex 202.16(BP est) 19.17(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)Br)F 19.2Pred
[AsH2]C(C(F)Br)I19569328.782C2H4AsBrFI(2-bromo-2-fluoro-1-iodoethyl)arsaneN106[As]([H])([H])C(C(F)Br)IInChI=1S/C2H4AsBrFI/c3-1(6)2(4)5/h1-2H,3H2InChIKey=QJNVZGJKFSTWIH-UHFFFAOYSA-N202.2Ex 202.16(BP est) 19.17(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(F)Br)I 19.2Pred
[AsH2]CC(Br)(F)I19570328.782C2H4AsBrFI(2-bromo-2-fluoro-2-iodoethyl)arsaneN106[As]([H])([H])CC(Br)(F)IInChI=1S/C2H4AsBrFI/c3-1-2(4,5)6/h1,3H2InChIKey=XKQZXYTZAZGLDN-UHFFFAOYSA-N206.2Ex 206.23(BP est) 26.63(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(F)I 26.6Pred
C[AsH]C(Br)(F)I19571328.782C2H4AsBrFI(bromofluoroiodomethyl)(methyl)arsaneN106C[As]([H])C(Br)(F)IInChI=1S/C2H4AsBrFI/c1-3-2(4,5)6/h3H,1H3InChIKey=YWOHEJAETQYCKS-UHFFFAOYSA-N204.4Ex 204.41(BP est) 27.85(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(F)I 27.9Pred
IC[AsH]C(F)Br19572328.782C2H4AsBrFI(bromofluoromethyl)(iodomethyl)arsaneN106IC[As]([H])C(F)BrInChI=1S/C2H4AsBrFI/c4-2(5)3-1-6/h2-3H,1H2InChIKey=KIETULLDWFGFOT-UHFFFAOYSA-N212.2Ex 212.15(BP est) 21.40(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(F)Br 21.4Pred
FC[AsH]C(I)Br19573328.782C2H4AsBrFI(bromoiodomethyl)(fluoromethyl)arsaneN106FC[As]([H])C(I)BrInChI=1S/C2H4AsBrFI/c4-2(6)3-1-5/h2-3H,1H2InChIKey=BEZJAWAWNOVDTN-UHFFFAOYSA-N212.2Ex 212.15(BP est) 21.40(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(I)Br 21.4Pred
BrC[AsH]C(I)F19574328.782C2H4AsBrFI(bromomethyl)(fluoroiodomethyl)arsaneN106BrC[As]([H])C(I)FInChI=1S/C2H4AsBrFI/c4-1-3-2(5)6/h2-3H,1H2InChIKey=FUXRHEFRUDUNTN-UHFFFAOYSA-N212.2Ex 212.15(BP est) 21.40(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(I)F 21.4Pred
[AsH2]C(Br)(Cl)I19575331.207CH2AsBrClI(bromochloroiodomethyl)arsaneN75[As]([H])([H])C(Br)(Cl)IInChI=1S/CH2AsBrClI/c2-1(3,4)5/h2H2InChIKey=UXZXWPWTDIVYAR-UHFFFAOYSA-N215.8Ex 215.75(BP est) 36.35(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Cl)I 36.4Pred
[AsH2]C(Br)=C(Br)Br19576340.672C2H2AsBr3(1,2,2-tribromovinyl)arsaneN86[As]([H])([H])C(Br)=C(Br)BrInChI=1S/C2H2AsBr3/c3-1(4)2(5)6/h3H2InChIKey=XHGLUIVAGPFADI-UHFFFAOYSA-N251.5Ex 251.50(BP est) 52.76(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(Br)Br 52.8Pred
BrC1[AsH]C1(Br)Br19577340.672C2H2AsBr32,2,3-tribromoarsiraneN86BrC1[As]([H])C1(Br)BrInChI=1S/C2H2AsBr3/c4-1-2(5,6)3-1/h1,3HInChIKey=XRJIDIXXRARWIM-UHFFFAOYSA-N241.0Ex 241.00(BP est) 57.71(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(Br)Br 57.7Pred
O[As](O)C(Br)(Br)Br19578360.659CH2AsBr3O2(tribromomethyl)arsonous acidN97O[As](O)C(Br)(Br)BrInChI=1S/CH2AsBr3O2/c3-1(4,5)2(6)7/h6-7HInChIKey=JIOWSIPHCFIZLD-UHFFFAOYSA-N351.7Ex 351.65(BP est) 119.99(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Br)Br 120Pred
[AsH2]C(Br)(Br)CBr19579342.688C2H4AsBr3(1,1,2-tribromoethyl)arsaneN106[As]([H])([H])C(Br)(Br)CBrInChI=1S/C2H4AsBr3/c3-2(5,6)1-4/h1,3H2InChIKey=GLUJPPROKZQRKU-UHFFFAOYSA-N238.0Ex 237.98(BP est) 50.80(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)CBr 50.8Pred
[AsH2]C(C(Br)Br)Br19580342.688C2H4AsBr3(1,2,2-tribromoethyl)arsaneN106[As]([H])([H])C(C(Br)Br)BrInChI=1S/C2H4AsBr3/c3-1(4)2(5)6/h1-2H,3H2InChIKey=UKAXQBBTCBHALU-UHFFFAOYSA-N234.2Ex 234.22(BP est) 47.04(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)Br)Br 47Pred
[AsH2]CC(Br)(Br)Br19581342.688C2H4AsBr3(2,2,2-tribromoethyl)arsaneN106[As]([H])([H])CC(Br)(Br)BrInChI=1S/C2H4AsBr3/c3-1-2(4,5)6/h1,3H2InChIKey=NHJXMSAEUSUQPT-UHFFFAOYSA-N238.0Ex 237.98(BP est) 50.80(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Br)Br 50.8Pred
BrC[AsH]C(Br)Br19582342.688C2H4AsBr3(bromomethyl)(dibromomethyl)arsaneN106BrC[As]([H])C(Br)BrInChI=1S/C2H4AsBr3/c4-1-3-2(5)6/h2-3H,1H2InChIKey=HIXFHYUUGHEPST-UHFFFAOYSA-N243.4Ex 243.44(BP est) 50.17(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(Br)Br 50.2Pred
C[AsH]C(Br)(Br)Br19583342.688C2H4AsBr3methyl(tribromomethyl)arsaneN106C[As]([H])C(Br)(Br)BrInChI=1S/C2H4AsBr3/c1-3-2(4,5)6/h3H,1H3InChIKey=MRURFVOAHGFVRC-UHFFFAOYSA-N236.3Ex 236.30(BP est) 45.97(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(Br)Br 46Pred
[AsH2]C(Br)=C(I)Cl19584343.218C2H2AsBrClI(1-bromo-2-chloro-2-iodovinyl)arsaneN86[As]([H])([H])C(Br)=C(I)ClInChI=1S/C2H2AsBrClI/c3-1(4)2(5)6/h3H2InChIKey=KREYCOJFYCPJJC-UHFFFAOYSA-N246.6Ex 246.57(BP est) 45.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(I)Cl 45.3Pred
[AsH2]C(Cl)=C(I)Br19585343.218C2H2AsBrClI(2-bromo-1-chloro-2-iodovinyl)arsaneN86[As]([H])([H])C(Cl)=C(I)BrInChI=1S/C2H2AsBrClI/c3-1(5)2(4)6/h3H2InChIKey=HKCGOGOBSQJRDO-UHFFFAOYSA-N246.6Ex 246.57(BP est) 45.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(I)Br 45.3Pred
[AsH2]C(I)=C(Cl)Br19586343.218C2H2AsBrClI(2-bromo-2-chloro-1-iodovinyl)arsaneN86[As]([H])([H])C(I)=C(Cl)BrInChI=1S/C2H2AsBrClI/c3-1(6)2(4)5/h3H2InChIKey=ALDVVKBMYAONDZ-UHFFFAOYSA-N246.6Ex 246.57(BP est) 45.30(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(Cl)Br 45.3Pred
IC1[AsH]C1(Br)Cl19587343.218C2H2AsBrClI2-bromo-2-chloro-3-iodoarsiraneN86IC1[As]([H])C1(Br)ClInChI=1S/C2H2AsBrClI/c4-2(5)1(6)3-2/h1,3HInChIKey=XQKYMLNJAYDRHR-UHFFFAOYSA-N237.5Ex 237.53(BP est) 48.28(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(Br)Cl 48.3Pred
ClC1[AsH]C1(Br)I19588343.218C2H2AsBrClI2-bromo-3-chloro-2-iodoarsiraneN86ClC1[As]([H])C1(Br)IInChI=1S/C2H2AsBrClI/c4-2(6)1(5)3-2/h1,3HInChIKey=YVNFPLCAZVQGOF-UHFFFAOYSA-N247.3Ex 247.26(BP est) 52.54(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(Br)I 52.5Pred
BrC1[AsH]C1(Cl)I19589343.218C2H2AsBrClI3-bromo-2-chloro-2-iodoarsiraneN86BrC1[As]([H])C1(Cl)IInChI=1S/C2H2AsBrClI/c4-1-2(5,6)3-1/h1,3HInChIKey=JTOGOSJXFQOYOJ-UHFFFAOYSA-N237.5Ex 237.53(BP est) 48.28(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(Cl)I 48.3Pred
[AsH2]C(I)I19590343.766CH3AsI2(diiodomethyl)arsaneN74[As]([H])([H])C(I)IInChI=1S/CH3AsI2/c2-1(3)4/h1H,2H2InChIKey=NGVFGVLIKUSEKN-UHFFFAOYSA-N220.9Ex 220.88(BP est) 25.33(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)I 25.3Pred
O[As](O)C(Br)(Cl)I19591363.205CH2AsBrClIO2(bromochloroiodomethyl)arsonous acidN97O[As](O)C(Br)(Cl)IInChI=1S/CH2AsBrClIO2/c3-1(4,5)2(6)7/h6-7HInChIKey=LFDDYRMGRPJMRT-UHFFFAOYSA-N349.4Ex 349.41(BP est) 111.11(MP est) ----(BP exp) ----(MP exp) O[As](O)C(Br)(Cl)I 111.1Pred
[AsH2]C(Br)(Cl)CI19592345.234C2H4AsBrClI(1-bromo-1-chloro-2-iodoethyl)arsaneN106[As]([H])([H])C(Br)(Cl)CIInChI=1S/C2H4AsBrClI/c3-2(4,5)1-6/h1,3H2InChIKey=BAARHTWWIZKBQQ-UHFFFAOYSA-N234.5Ex 234.48(BP est) 47.40(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Cl)CI 47.4Pred
[AsH2]C(Br)(I)CCl19593345.234C2H4AsBrClI(1-bromo-2-chloro-1-iodoethyl)arsaneN106[As]([H])([H])C(Br)(I)CClInChI=1S/C2H4AsBrClI/c3-2(4,6)1-5/h1,3H2InChIKey=FZKSRAGBYRVNNU-UHFFFAOYSA-N253.9Ex 253.86(BP est) 54.95(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)CCl 55Pred
[AsH2]C(C(I)Cl)Br19594345.234C2H4AsBrClI(1-bromo-2-chloro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)Cl)BrInChI=1S/C2H4AsBrClI/c3-1(4)2(5)6/h1-2H,3H2InChIKey=VHGPLSPSHMNJSL-UHFFFAOYSA-N240.6Ex 240.60(BP est) 45.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)Cl)Br 45.1Pred
[AsH2]C(Cl)(I)CBr19595345.234C2H4AsBrClI(2-bromo-1-chloro-1-iodoethyl)arsaneN106[As]([H])([H])C(Cl)(I)CBrInChI=1S/C2H4AsBrClI/c3-2(5,6)1-4/h1,3H2InChIKey=NATIRXUPBVOZDX-UHFFFAOYSA-N234.5Ex 234.48(BP est) 47.40(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)CBr 47.4Pred
[AsH2]C(C(I)Br)Cl19596345.234C2H4AsBrClI(2-bromo-1-chloro-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)Br)ClInChI=1S/C2H4AsBrClI/c3-1(5)2(4)6/h1-2H,3H2InChIKey=MCUOPCYDORSDDS-UHFFFAOYSA-N240.6Ex 240.60(BP est) 45.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)Br)Cl 45.1Pred
[AsH2]C(C(Cl)Br)I19597345.234C2H4AsBrClI(2-bromo-2-chloro-1-iodoethyl)arsaneN106[As]([H])([H])C(C(Cl)Br)IInChI=1S/C2H4AsBrClI/c3-1(6)2(4)5/h1-2H,3H2InChIKey=ARDJGDQPFAFTAB-UHFFFAOYSA-N240.6Ex 240.60(BP est) 45.06(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Cl)Br)I 45.1Pred
[AsH2]CC(Br)(Cl)I19598345.234C2H4AsBrClI(2-bromo-2-chloro-2-iodoethyl)arsaneN106[As]([H])([H])CC(Br)(Cl)IInChI=1S/C2H4AsBrClI/c3-1-2(4,5)6/h1,3H2InChIKey=QWDPLEXQOSDJIS-UHFFFAOYSA-N234.5Ex 234.48(BP est) 47.40(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Cl)I 47.4Pred
C[AsH]C(Br)(Cl)I19599345.234C2H4AsBrClI(bromochloroiodomethyl)(methyl)arsaneN106C[As]([H])C(Br)(Cl)IInChI=1S/C2H4AsBrClI/c1-3-2(4,5)6/h3H,1H3InChIKey=JXKIOFZFJASPBJ-UHFFFAOYSA-N232.8Ex 232.78(BP est) 41.29(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(Cl)I 41.3Pred
IC[AsH]C(Cl)Br19600345.234C2H4AsBrClI(bromochloromethyl)(iodomethyl)arsaneN106IC[As]([H])C(Cl)BrInChI=1S/C2H4AsBrClI/c4-2(5)3-1-6/h2-3H,1H2InChIKey=CVASQGKZMOYXDY-UHFFFAOYSA-N249.7Ex 249.65(BP est) 47.02(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(Cl)Br 47Pred
ClC[AsH]C(I)Br19601345.234C2H4AsBrClI(bromoiodomethyl)(chloromethyl)arsaneN106ClC[As]([H])C(I)BrInChI=1S/C2H4AsBrClI/c4-2(6)3-1-5/h2-3H,1H2InChIKey=VSOBFQDSZQMKIH-UHFFFAOYSA-N259.1Ex 259.08(BP est) 49.77(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(I)Br 49.8Pred
BrC[AsH]C(I)Cl19602345.234C2H4AsBrClI(bromomethyl)(chloroiodomethyl)arsaneN106BrC[As]([H])C(I)ClInChI=1S/C2H4AsBrClI/c4-1-3-2(5)6/h2-3H,1H2InChIKey=IKZCNLHTUFEMMI-UHFFFAOYSA-N249.7Ex 249.65(BP est) 47.02(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(I)Cl 47Pred
[AsH2]C(I)=CI19603355.777C2H3AsI2(1,2-diiodovinyl)arsaneN85[As]([H])([H])C(I)=CIInChI=1S/C2H3AsI2/c3-2(5)1-4/h1H,3H2InChIKey=YHBDEBOJBVEVPD-UHFFFAOYSA-N250.7Ex 250.69(BP est) 37.65(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=CI 37.7Pred
[AsH2]C=C(I)I19604355.777C2H3AsI2(2,2-diiodovinyl)arsaneN85[As]([H])([H])C=C(I)IInChI=1S/C2H3AsI2/c3-1-2(4)5/h1H,3H2InChIKey=IOEAWMMEVJDLIN-UHFFFAOYSA-N250.7Ex 250.69(BP est) 37.65(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C=C(I)I 37.7Pred
IC1(I)[AsH]C119605355.777C2H3AsI22,2-diiodoarsiraneN85IC1(I)[As]([H])C1InChI=1S/C2H3AsI2/c4-2(5)1-3-2/h3H,1H2InChIKey=SHGMWJIXHXQJDE-UHFFFAOYSA-N240.5Ex 240.47(BP est) 48.04(MP est) ----(BP exp) ----(MP exp) IC1(I)[As]([H])C1 48Pred
IC1[AsH]C1I19606355.777C2H3AsI22,3-diiodoarsiraneN85IC1[As]([H])C1IInChI=1S/C2H3AsI2/c4-1-2(5)3-1/h1-3HInChIKey=YWRBPVISDKYRRS-UHFFFAOYSA-N244.7Ex 244.72(BP est) 45.85(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1I 45.9Pred
O[As](O)C(I)I19607375.764CH3AsI2O2(diiodomethyl)arsonous acidN96O[As](O)C(I)IInChI=1S/CH3AsI2O2/c3-1(4)2(5)6/h1,5-6HInChIKey=NKMYFCCXCNERFQ-UHFFFAOYSA-N352.5Ex 352.54(BP est) 108.22(MP est) ----(BP exp) ----(MP exp) O[As](O)C(I)I 108.2Pred
[AsH2]C(I)(I)C19608357.793C2H5AsI2(1,1-diiodoethyl)arsaneN105[As]([H])([H])C(I)(I)CInChI=1S/C2H5AsI2/c1-2(3,4)5/h3H2,1H3InChIKey=ZLVBVMGSJRTQAV-UHFFFAOYSA-N232.1Ex 232.14(BP est) 35.94(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)(I)C 35.9Pred
[AsH2]C(CI)I19609357.793C2H5AsI2(1,2-diiodoethyl)arsaneN105[As]([H])([H])C(CI)IInChI=1S/C2H5AsI2/c3-2(5)1-4/h2H,1,3H2InChIKey=JSENSLPVJLOPTD-UHFFFAOYSA-N239.4Ex 239.36(BP est) 36.37(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CI)I 36.4Pred
[AsH2]CC(I)I19610357.793C2H5AsI2(2,2-diiodoethyl)arsaneN105[As]([H])([H])CC(I)IInChI=1S/C2H5AsI2/c3-1-2(4)5/h2H,1,3H2InChIKey=VFUBFFVSVDWPGI-UHFFFAOYSA-N239.4Ex 239.36(BP est) 36.37(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)I 36.4Pred
C[AsH]C(I)I19611357.793C2H5AsI2(diiodomethyl)(methyl)arsaneN105C[As]([H])C(I)IInChI=1S/C2H5AsI2/c1-3-2(4)5/h2-3H,1H3InChIKey=QNIDYEJIWYCYLZ-UHFFFAOYSA-N237.7Ex 237.69(BP est) 27.69(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)I 27.7Pred
IC[AsH]CI19612357.793C2H5AsI2bis(iodomethyl)arsaneN105IC[As]([H])CIInChI=1S/C2H5AsI2/c4-1-3-2-5/h3H,1-2H2InChIKey=LKFHGVFINDKWIS-UHFFFAOYSA-N248.5Ex 248.45(BP est) 38.33(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CI 38.3Pred
[AsH2]C(F)(I)I19613361.756CH2AsFI2(fluorodiiodomethyl)arsaneN75[As]([H])([H])C(F)(I)IInChI=1S/CH2AsFI2/c2-1(3,4)5/h2H2InChIKey=QQHOQUOFLTWKNP-UHFFFAOYSA-N215.2Ex 215.18(BP est) 25.78(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)I 25.8Pred
[AsH2]C(I)(I)C#C19614367.788C3H3AsI2(1,1-diiodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(I)(I)C#CInChI=1S/C3H3AsI2/c1-2-3(4,5)6/h1H,4H2InChIKey=IVGITAQUAUOUGI-UHFFFAOYSA-N256.2Ex 256.17(BP est) 57.51(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)(I)C#C 57.5Pred
[AsH2]C(C#CI)I19615367.788C3H3AsI2(1,3-diiodoprop-2-yn-1-yl)arsaneN96[As]([H])([H])C(C#CI)IInChI=1S/C3H3AsI2/c4-3(6)1-2-5/h3H,4H2InChIKey=YESCSVIXBBMXDX-UHFFFAOYSA-N269.1Ex 269.12(BP est) 73.61(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C#CI)I 73.6Pred
IC(I)[AsH]C#C19616367.788C3H3AsI2(diiodomethyl)(ethynyl)arsaneN96IC(I)[As]([H])C#CInChI=1S/C3H3AsI2/c1-2-4-3(5)6/h1,3-4HInChIKey=FKPVOXIGTUVZBO-UHFFFAOYSA-N261.4Ex 261.35(BP est) 55.46(MP est) ----(BP exp) ----(MP exp) IC(I)[As]([H])C#C 55.5Pred
IC[AsH]C#CI19617367.788C3H3AsI2(iodoethynyl)(iodomethyl)arsaneN96IC[As]([H])C#CIInChI=1S/C3H3AsI2/c5-2-1-4-3-6/h4H,3H2InChIKey=GTOBCWZTCRLOTH-UHFFFAOYSA-N277.4Ex 277.41(BP est) 76.90(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C#CI 76.9Pred
IC1(I)[AsH]C=C119618367.788C3H3AsI22,2-diiodo-1,2-dihydroarseteN96IC1(I)[As]([H])C=C1InChI=1S/C3H3AsI2/c5-3(6)1-2-4-3/h1-2,4HInChIKey=UEXUWGZWUKMXJF-UHFFFAOYSA-N261.8Ex 261.78(BP est) 59.17(MP est) ----(BP exp) ----(MP exp) IC1(I)[As]([H])C=C1 59.2Pred
IC1[AsH]C=C1I19619367.788C3H3AsI22,3-diiodo-1,2-dihydroarseteN96IC1[As]([H])C=C1IInChI=1S/C3H3AsI2/c5-2-1-4-3(2)6/h1,3-4HInChIKey=OSJMVPFFRYLSMF-UHFFFAOYSA-N269.2Ex 269.15(BP est) 58.24(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C=C1I 58.2Pred
IC1[AsH]C(I)=C119620367.788C3H3AsI22,4-diiodo-1,2-dihydroarseteN96IC1[As]([H])C(I)=C1InChI=1S/C3H3AsI2/c5-2-1-3(6)4-2/h1-2,4HInChIKey=XKXGSWQKHZOLGM-UHFFFAOYSA-N269.2Ex 269.15(BP est) 58.24(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C(I)=C1 58.2Pred
IC1=C(I)C[AsH]119621367.788C3H3AsI23,4-diiodo-1,2-dihydroarseteN96IC1=C(I)C[As]([H])1InChI=1S/C3H3AsI2/c5-2-1-4-3(2)6/h4H,1H2InChIKey=MPAPTANESZGBTF-UHFFFAOYSA-N272.5Ex 272.49(BP est) 65.13(MP est) ----(BP exp) ----(MP exp) IC1=C(I)C[As]([H])1 65.1Pred
[AsH2]C(I)(I)C=C19622369.804C3H5AsI2(1,1-diiodoallyl)arsaneN116[As]([H])([H])C(I)(I)C=CInChI=1S/C3H5AsI2/c1-2-3(4,5)6/h2H,1,4H2InChIKey=REMKOCIRTHXFRE-UHFFFAOYSA-N248.8Ex 248.78(BP est) 45.59(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)(I)C=C 45.6Pred
[AsH2]C(C(I)=C)I19623369.804C3H5AsI2(1,2-diiodoallyl)arsaneN116[As]([H])([H])C(C(I)=C)IInChI=1S/C3H5AsI2/c1-2(5)3(4)6/h3H,1,4H2InChIKey=FTKMHOVGJOVEHF-UHFFFAOYSA-N250.9Ex 250.94(BP est) 37.52(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)=C)I 37.5Pred
C[AsH]C(I)=CI19624369.804C3H5AsI2(1,2-diiodovinyl)(methyl)arsaneN116C[As]([H])C(I)=CIInChI=1S/C3H5AsI2/c1-4-3(6)2-5/h2,4H,1H3InChIKey=YNTUGZQCNGHXMT-UHFFFAOYSA-N266.2Ex 266.16(BP est) 39.62(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)=CI 39.6Pred
[AsH2]C(C=CI)I19625369.804C3H5AsI2(1,3-diiodoallyl)arsaneN116[As]([H])([H])C(C=CI)IInChI=1S/C3H5AsI2/c4-3(6)1-2-5/h1-3H,4H2InChIKey=HCAWKEDQMOGYSC-UHFFFAOYSA-N262.2Ex 262.18(BP est) 46.12(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C=CI)I 46.1Pred
C[AsH]C=C(I)I19626369.804C3H5AsI2(2,2-diiodovinyl)(methyl)arsaneN116C[As]([H])C=C(I)IInChI=1S/C3H5AsI2/c1-4-2-3(5)6/h2,4H,1H3InChIKey=KSLCABVYCCPGGI-UHFFFAOYSA-N266.2Ex 266.16(BP est) 39.62(MP est) ----(BP exp) ----(MP exp) C[As]([H])C=C(I)I 39.6Pred
[AsH2]CC(I)=CI19627369.804C3H5AsI2(2,3-diiodoallyl)arsaneN116[As]([H])([H])CC(I)=CIInChI=1S/C3H5AsI2/c4-1-3(6)2-5/h2H,1,4H2InChIKey=PKQRYMWFLKIXBL-UHFFFAOYSA-N267.7Ex 267.69(BP est) 48.25(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)=CI 48.3Pred
[AsH2]CC=C(I)I19628369.804C3H5AsI2(3,3-diiodoallyl)arsaneN116[As]([H])([H])CC=C(I)IInChI=1S/C3H5AsI2/c4-2-1-3(5)6/h1H,2,4H2InChIKey=VTTRHWHBIFRCNK-UHFFFAOYSA-N267.7Ex 267.69(BP est) 48.25(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC=C(I)I 48.3Pred
IC(I)[AsH]C=C19629369.804C3H5AsI2(diiodomethyl)(vinyl)arsaneN116IC(I)[As]([H])C=CInChI=1S/C3H5AsI2/c1-2-4-3(5)6/h2-4H,1H2InChIKey=AQUIACHZBXUWKA-UHFFFAOYSA-N254.1Ex 254.07(BP est) 37.23(MP est) ----(BP exp) ----(MP exp) IC(I)[As]([H])C=C 37.2Pred
IC[AsH]C(I)=C19630369.804C3H5AsI2(iodomethyl)(1-iodovinyl)arsaneN116IC[As]([H])C(I)=CInChI=1S/C3H5AsI2/c1-3(6)4-2-5/h4H,1-2H2InChIKey=QAMVFHOSLRYBEM-UHFFFAOYSA-N259.7Ex 259.72(BP est) 39.40(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(I)=C 39.4Pred
IC[AsH]C=CI19631369.804C3H5AsI2(iodomethyl)(2-iodovinyl)arsaneN116IC[As]([H])C=CIInChI=1S/C3H5AsI2/c5-2-1-4-3-6/h1-2,4H,3H2InChIKey=KFNMYRGUUFZXQF-UHFFFAOYSA-N270.7Ex 270.67(BP est) 47.91(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C=CI 47.9Pred
IC(I)[As]1CC119632369.804C3H5AsI21-(diiodomethyl)arsiraneN116IC(I)[As]1CC1InChI=1S/C3H5AsI2/c5-3(6)4-1-2-4/h3H,1-2H2InChIKey=ZIJUAGDXIRYOKF-UHFFFAOYSA-N260.1Ex 260.07(BP est) 44.53(MP est) ----(BP exp) ----(MP exp) IC(I)[As]1CC1 44.5Pred
C[As]1CC1(I)I19633369.804C3H5AsI22,2-diiodo-1-methylarsiraneN116C[As]1CC1(I)IInChI=1S/C3H5AsI2/c1-4-2-3(4,5)6/h2H2,1H3InChIKey=TXDXNNFPBQCAHV-UHFFFAOYSA-N256.4Ex 256.41(BP est) 52.54(MP est) ----(BP exp) ----(MP exp) C[As]1CC1(I)I 52.5Pred
IC1(I)[AsH]CC119634369.804C3H5AsI22,2-diiodoarsetaneN116IC1(I)[As]([H])CC1InChI=1S/C3H5AsI2/c5-3(6)1-2-4-3/h4H,1-2H2InChIKey=NRHJHIWUOHMUNJ-UHFFFAOYSA-N259.6Ex 259.56(BP est) 58.05(MP est) ----(BP exp) ----(MP exp) IC1(I)[As]([H])CC1 58.1Pred
C[As]1C(I)C1I19635369.804C3H5AsI22,3-diiodo-1-methylarsiraneN116C[As]1C(I)C1IInChI=1S/C3H5AsI2/c1-4-2(5)3(4)6/h2-3H,1H3InChIKey=GGAQHALVXWOMOP-UHFFFAOYSA-N260.5Ex 260.47(BP est) 47.90(MP est) ----(BP exp) ----(MP exp) C[As]1C(I)C1I 47.9Pred
IC1[AsH]CC1I19636369.804C3H5AsI22,3-diiodoarsetaneN116IC1[As]([H])CC1IInChI=1S/C3H5AsI2/c5-2-1-4-3(2)6/h2-4H,1H2InChIKey=GSGGYWIWKJBEJY-UHFFFAOYSA-N263.6Ex 263.57(BP est) 55.23(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])CC1I 55.2Pred
IC1[AsH]C(I)C119637369.804C3H5AsI22,4-diiodoarsetaneN116IC1[As]([H])C(I)C1InChI=1S/C3H5AsI2/c5-2-1-3(6)4-2/h2-4H,1H2InChIKey=VUVNEJCIYNAXNZ-UHFFFAOYSA-N263.6Ex 263.57(BP est) 55.23(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C(I)C1 55.2Pred
IC[As]1CC1I19638369.804C3H5AsI22-iodo-1-(iodomethyl)arsiraneN116IC[As]1CC1IInChI=1S/C3H5AsI2/c5-2-4-1-3(4)6/h3H,1-2H2InChIKey=KNXGTGWVCWTJHN-UHFFFAOYSA-N265.3Ex 265.34(BP est) 51.44(MP est) ----(BP exp) ----(MP exp) IC[As]1CC1I 51.4Pred
IC1(I)C[AsH]C119639369.804C3H5AsI23,3-diiodoarsetaneN116IC1(I)C[As]([H])C1InChI=1S/C3H5AsI2/c5-3(6)1-4-2-3/h4H,1-2H2InChIKey=XAWLRZJMGRWPPA-UHFFFAOYSA-N259.6Ex 259.56(BP est) 58.05(MP est) ----(BP exp) ----(MP exp) IC1(I)C[As]([H])C1 58.1Pred
C[AsH]C(I)(I)C19640371.82C3H7AsI2(1,1-diiodoethyl)(methyl)arsaneN136C[As]([H])C(I)(I)CInChI=1S/C3H7AsI2/c1-3(5,6)4-2/h4H,1-2H3InChIKey=GRCHRSFYKJINEG-UHFFFAOYSA-N248.5Ex 248.47(BP est) 45.18(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(I)(I)C 45.2Pred
[AsH2]C(I)(I)CC19641371.82C3H7AsI2(1,1-diiodopropyl)arsaneN136[As]([H])([H])C(I)(I)CCInChI=1S/C3H7AsI2/c1-2-3(4,5)6/h2,4H2,1H3InChIKey=AALQTKDLRSTIOE-UHFFFAOYSA-N250.1Ex 250.09(BP est) 46.68(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)(I)CC 46.7Pred
C[AsH]C(CI)I19642371.82C3H7AsI2(1,2-diiodoethyl)(methyl)arsaneN136C[As]([H])C(CI)IInChI=1S/C3H7AsI2/c1-4-3(6)2-5/h3-4H,2H2,1H3InChIKey=PLXAZODYHZVJME-UHFFFAOYSA-N255.4Ex 255.36(BP est) 38.49(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(CI)I 38.5Pred
[AsH2]C(C(C)I)I19643371.82C3H7AsI2(1,2-diiodopropyl)arsaneN136[As]([H])([H])C(C(C)I)IInChI=1S/C3H7AsI2/c1-2(5)3(4)6/h2-3H,4H2,1H3InChIKey=VQKAKHPQIFREJW-UHFFFAOYSA-N246.5Ex 246.46(BP est) 36.57(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(C)I)I 36.6Pred
[AsH2]C(CCI)I19644371.82C3H7AsI2(1,3-diiodopropyl)arsaneN136[As]([H])([H])C(CCI)IInChI=1S/C3H7AsI2/c4-3(6)1-2-5/h3H,1-2,4H2InChIKey=AWIOAGCULWRABH-UHFFFAOYSA-N257.0Ex 256.95(BP est) 47.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(CCI)I 47.1Pred
IC[AsH]C(C)I19645371.82C3H7AsI2(1-iodoethyl)(iodomethyl)arsaneN136IC[As]([H])C(C)IInChI=1S/C3H7AsI2/c1-3(6)4-2-5/h3-4H,2H2,1H3InChIKey=FFBLXKADSGFYRP-UHFFFAOYSA-N255.4Ex 255.36(BP est) 38.49(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(C)I 38.5Pred
C[AsH]CC(I)I19646371.82C3H7AsI2(2,2-diiodoethyl)(methyl)arsaneN136C[As]([H])CC(I)IInChI=1S/C3H7AsI2/c1-4-2-3(5)6/h3-4H,2H2,1H3InChIKey=WPYQSSZPNMYREX-UHFFFAOYSA-N255.4Ex 255.36(BP est) 38.49(MP est) ----(BP exp) ----(MP exp) C[As]([H])CC(I)I 38.5Pred
[AsH2]CC(I)(I)C19647371.82C3H7AsI2(2,2-diiodopropyl)arsaneN136[As]([H])([H])CC(I)(I)CInChI=1S/C3H7AsI2/c1-3(5,6)2-4/h2,4H2,1H3InChIKey=FOMKZEZOZMBMSK-UHFFFAOYSA-N250.1Ex 250.09(BP est) 46.68(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(I)(I)C 46.7Pred
[AsH2]CC(CI)I19648371.82C3H7AsI2(2,3-diiodopropyl)arsaneN136[As]([H])([H])CC(CI)IInChI=1S/C3H7AsI2/c4-1-3(6)2-5/h3H,1-2,4H2InChIKey=SZWPVUQGMSKFNK-UHFFFAOYSA-N257.0Ex 256.95(BP est) 47.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(CI)I 47.1Pred
IC[AsH]CCI19649371.82C3H7AsI2(2-iodoethyl)(iodomethyl)arsaneN136IC[As]([H])CCIInChI=1S/C3H7AsI2/c5-2-1-4-3-6/h4H,1-3H2InChIKey=PNEYCSPPQGADLA-UHFFFAOYSA-N265.6Ex 265.57(BP est) 48.97(MP est) ----(BP exp) ----(MP exp) IC[As]([H])CCI 49Pred
[AsH2]CCC(I)I19650371.82C3H7AsI2(3,3-diiodopropyl)arsaneN136[As]([H])([H])CCC(I)IInChI=1S/C3H7AsI2/c4-2-1-3(5)6/h3H,1-2,4H2InChIKey=ZQDMECDZEZZVER-UHFFFAOYSA-N257.0Ex 256.95(BP est) 47.14(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC(I)I 47.1Pred
IC(I)[AsH]CC19651371.82C3H7AsI2(diiodomethyl)(ethyl)arsaneN136IC(I)[As]([H])CCInChI=1S/C3H7AsI2/c1-2-4-3(5)6/h3-4H,2H2,1H3InChIKey=KKHJMASJPWNIAJ-UHFFFAOYSA-N255.4Ex 255.36(BP est) 38.49(MP est) ----(BP exp) ----(MP exp) IC(I)[As]([H])CC 38.5Pred
C[As](C(I)I)C19652371.82C3H7AsI2(diiodomethyl)dimethylarsaneN136C[As](C(I)I)CInChI=1S/C3H7AsI2/c1-4(2)3(5)6/h3H,1-2H3InChIKey=VRPYZJSAIDYZJY-UHFFFAOYSA-N253.8Ex 253.76(BP est) 29.84(MP est) ----(BP exp) ----(MP exp) C[As](C(I)I)C 29.8Pred
C[As](CI)CI19653371.82C3H7AsI2bis(iodomethyl)(methyl)arsaneN136C[As](CI)CIInChI=1S/C3H7AsI2/c1-4(2-5)3-6/h2-3H2,1H3InChIKey=NLQBZGQFWJRBLL-UHFFFAOYSA-N264.0Ex 264.03(BP est) 40.33(MP est) ----(BP exp) ----(MP exp) C[As](CI)CI 40.3Pred
[AsH2]C(F)=C(I)I19654373.767C2H2AsFI2(1-fluoro-2,2-diiodovinyl)arsaneN86[As]([H])([H])C(F)=C(I)IInChI=1S/C2H2AsFI2/c3-1(4)2(5)6/h3H2InChIKey=ZMEPEJRYWXZMSS-UHFFFAOYSA-N247.6Ex 247.62(BP est) 30.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)=C(I)I 30.1Pred
[AsH2]C(I)=C(I)F19655373.767C2H2AsFI2(2-fluoro-1,2-diiodovinyl)arsaneN86[As]([H])([H])C(I)=C(I)FInChI=1S/C2H2AsFI2/c3-1(5)2(4)6/h3H2InChIKey=IWBFPPPTXXHHIW-UHFFFAOYSA-N247.6Ex 247.62(BP est) 30.07(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(I)F 30.1Pred
IC1[AsH]C1(F)I19656373.767C2H2AsFI22-fluoro-2,3-diiodoarsiraneN86IC1[As]([H])C1(F)IInChI=1S/C2H2AsFI2/c4-2(6)1(5)3-2/h1,3HInChIKey=SESOKHXEMRBMBV-UHFFFAOYSA-N237.0Ex 237.00(BP est) 45.47(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(F)I 45.5Pred
FC1[AsH]C1(I)I19657373.767C2H2AsFI23-fluoro-2,2-diiodoarsiraneN86FC1[As]([H])C1(I)IInChI=1S/C2H2AsFI2/c4-1-2(5,6)3-1/h1,3HInChIKey=JBNPEJHPLYBRBU-UHFFFAOYSA-N237.0Ex 237.00(BP est) 45.47(MP est) ----(BP exp) ----(MP exp) FC1[As]([H])C1(I)I 45.5Pred
[AsH2]C(Br)(Br)I19658375.661CH2AsBr2I(dibromoiodomethyl)arsaneN75[As]([H])([H])C(Br)(Br)IInChI=1S/CH2AsBr2I/c2-1(3,4)5/h2H2InChIKey=YIEPADYLDZHSKL-UHFFFAOYSA-N246.2Ex 246.23(BP est) 51.16(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)I 51.2Pred
O[As](O)C(F)(I)I19659393.754CH2AsFI2O2(fluorodiiodomethyl)arsonous acidN97O[As](O)C(F)(I)IInChI=1S/CH2AsFI2O2/c3-1(4,5)2(6)7/h6-7HInChIKey=QNIKFHMKKWQFML-UHFFFAOYSA-N349.1Ex 349.07(BP est) 107.53(MP est) ----(BP exp) ----(MP exp) O[As](O)C(F)(I)I 107.5Pred
[AsH2]C(F)(I)CI19660375.783C2H4AsFI2(1-fluoro-1,2-diiodoethyl)arsaneN106[As]([H])([H])C(F)(I)CIInChI=1S/C2H4AsFI2/c3-2(4,6)1-5/h1,3H2InChIKey=DKSWDTVRRBFOPC-UHFFFAOYSA-N233.9Ex 233.94(BP est) 36.84(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(F)(I)CI 36.8Pred
[AsH2]C(C(I)I)F19661375.783C2H4AsFI2(1-fluoro-2,2-diiodoethyl)arsaneN106[As]([H])([H])C(C(I)I)FInChI=1S/C2H4AsFI2/c3-1(4)2(5)6/h1-2H,3H2InChIKey=MSOKAMLZVWLHIH-UHFFFAOYSA-N230.1Ex 230.14(BP est) 26.47(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)I)F 26.5Pred
[AsH2]C(I)(I)CF19662375.783C2H4AsFI2(2-fluoro-1,1-diiodoethyl)arsaneN106[As]([H])([H])C(I)(I)CFInChI=1S/C2H4AsFI2/c3-2(5,6)1-4/h1,3H2InChIKey=XKLQSLYMZOAXFH-UHFFFAOYSA-N233.9Ex 233.94(BP est) 36.84(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)(I)CF 36.8Pred
[AsH2]C(C(I)F)I19663375.783C2H4AsFI2(2-fluoro-1,2-diiodoethyl)arsaneN106[As]([H])([H])C(C(I)F)IInChI=1S/C2H4AsFI2/c3-1(5)2(4)6/h1-2H,3H2InChIKey=MFXXTMCADNEZKQ-UHFFFAOYSA-N230.1Ex 230.14(BP est) 26.47(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)F)I 26.5Pred
[AsH2]CC(F)(I)I19664375.783C2H4AsFI2(2-fluoro-2,2-diiodoethyl)arsaneN106[As]([H])([H])CC(F)(I)IInChI=1S/C2H4AsFI2/c3-1-2(4,5)6/h1,3H2InChIKey=KFXIRUNSCXKSJS-UHFFFAOYSA-N233.9Ex 233.94(BP est) 36.84(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(F)(I)I 36.8Pred
FC[AsH]C(I)I19665375.783C2H4AsFI2(diiodomethyl)(fluoromethyl)arsaneN106FC[As]([H])C(I)IInChI=1S/C2H4AsFI2/c4-1-3-2(5)6/h2-3H,1H2InChIKey=QTHNHLRESUNUTO-UHFFFAOYSA-N239.5Ex 239.46(BP est) 28.50(MP est) ----(BP exp) ----(MP exp) FC[As]([H])C(I)I 28.5Pred
C[AsH]C(F)(I)I19666375.783C2H4AsFI2(fluorodiiodomethyl)(methyl)arsaneN106C[As]([H])C(F)(I)IInChI=1S/C2H4AsFI2/c1-3-2(4,5)6/h3H,1H3InChIKey=WRIUIRIMFQTWSP-UHFFFAOYSA-N232.2Ex 232.24(BP est) 35.11(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(F)(I)I 35.1Pred
IC[AsH]C(I)F19667375.783C2H4AsFI2(fluoroiodomethyl)(iodomethyl)arsaneN106IC[As]([H])C(I)FInChI=1S/C2H4AsFI2/c4-2(6)3-1-5/h2-3H,1H2InChIKey=SYDHBXNQDBOHKD-UHFFFAOYSA-N239.5Ex 239.46(BP est) 28.50(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(I)F 28.5Pred
[AsH2]C(Cl)(I)I19668378.208CH2AsClI2(chlorodiiodomethyl)arsaneN75[As]([H])([H])C(Cl)(I)IInChI=1S/CH2AsClI2/c2-1(3,4)5/h2H2InChIKey=VPXUTGRXAJVKFV-UHFFFAOYSA-N242.8Ex 242.81(BP est) 46.31(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)I 46.3Pred
[AsH2]C(Br)=C(I)Br19669387.672C2H2AsBr2I(1,2-dibromo-2-iodovinyl)arsaneN86[As]([H])([H])C(Br)=C(I)BrInChI=1S/C2H2AsBr2I/c3-1(4)2(5)6/h3H2InChIKey=AKGGJWPLQDFNOZ-UHFFFAOYSA-N276.0Ex 275.98(BP est) 61.71(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)=C(I)Br 61.7Pred
[AsH2]C(I)=C(Br)Br19670387.672C2H2AsBr2I(2,2-dibromo-1-iodovinyl)arsaneN86[As]([H])([H])C(I)=C(Br)BrInChI=1S/C2H2AsBr2I/c3-1(6)2(4)5/h3H2InChIKey=LTIDPYZIPPSIIL-UHFFFAOYSA-N276.0Ex 275.98(BP est) 61.71(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(Br)Br 61.7Pred
IC1[AsH]C1(Br)Br19671387.672C2H2AsBr2I2,2-dibromo-3-iodoarsiraneN86IC1[As]([H])C1(Br)BrInChI=1S/C2H2AsBr2I/c4-2(5)1(6)3-2/h1,3HInChIKey=OFTYGMQOKFIOEL-UHFFFAOYSA-N266.3Ex 266.27(BP est) 68.34(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(Br)Br 68.3Pred
BrC1[AsH]C1(Br)I19672387.672C2H2AsBr2I2,3-dibromo-2-iodoarsiraneN86BrC1[As]([H])C1(Br)IInChI=1S/C2H2AsBr2I/c4-1-2(5,6)3-1/h1,3HInChIKey=VRTBRCPODRLCDC-UHFFFAOYSA-N266.3Ex 266.27(BP est) 68.34(MP est) ----(BP exp) ----(MP exp) BrC1[As]([H])C1(Br)I 68.3Pred
[AsH2]C(Br)(Br)CI19673389.688C2H4AsBr2I(1,1-dibromo-2-iodoethyl)arsaneN106[As]([H])([H])C(Br)(Br)CIInChI=1S/C2H4AsBr2I/c3-2(4,5)1-6/h1,3H2InChIKey=BWXNCZWAIUJMKJ-UHFFFAOYSA-N263.5Ex 263.47(BP est) 61.53(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(Br)CI 61.5Pred
[AsH2]C(Br)(I)CBr19674389.688C2H4AsBr2I(1,2-dibromo-1-iodoethyl)arsaneN106[As]([H])([H])C(Br)(I)CBrInChI=1S/C2H4AsBr2I/c3-2(5,6)1-4/h1,3H2InChIKey=JWYJXPLAHRCITC-UHFFFAOYSA-N263.5Ex 263.47(BP est) 61.53(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)CBr 61.5Pred
[AsH2]C(C(I)Br)Br19675389.688C2H4AsBr2I(1,2-dibromo-2-iodoethyl)arsaneN106[As]([H])([H])C(C(I)Br)BrInChI=1S/C2H4AsBr2I/c3-1(4)2(5)6/h1-2H,3H2InChIKey=VPGUQIHVTROWKN-UHFFFAOYSA-N260.0Ex 259.98(BP est) 56.48(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)Br)Br 56.5Pred
[AsH2]C(C(Br)Br)I19676389.688C2H4AsBr2I(2,2-dibromo-1-iodoethyl)arsaneN106[As]([H])([H])C(C(Br)Br)IInChI=1S/C2H4AsBr2I/c3-1(6)2(4)5/h1-2H,3H2InChIKey=XFDZSHRSTQISLX-UHFFFAOYSA-N260.0Ex 259.98(BP est) 56.48(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(Br)Br)I 56.5Pred
[AsH2]CC(Br)(Br)I19677389.688C2H4AsBr2I(2,2-dibromo-2-iodoethyl)arsaneN106[As]([H])([H])CC(Br)(Br)IInChI=1S/C2H4AsBr2I/c3-1-2(4,5)6/h1,3H2InChIKey=UZECFZWEMLXERC-UHFFFAOYSA-N263.5Ex 263.47(BP est) 61.53(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Br)(Br)I 61.5Pred
BrC[AsH]C(I)Br19678389.688C2H4AsBr2I(bromoiodomethyl)(bromomethyl)arsaneN106BrC[As]([H])C(I)BrInChI=1S/C2H4AsBr2I/c4-1-3-2(5)6/h2-3H,1H2InChIKey=DYGYNWBAJFBJEQ-UHFFFAOYSA-N268.5Ex 268.53(BP est) 59.35(MP est) ----(BP exp) ----(MP exp) BrC[As]([H])C(I)Br 59.4Pred
C[AsH]C(Br)(Br)I19679389.688C2H4AsBr2I(dibromoiodomethyl)(methyl)arsaneN106C[As]([H])C(Br)(Br)IInChI=1S/C2H4AsBr2I/c1-3-2(4,5)6/h3H,1H3InChIKey=ZQPLKWLRLKSMBS-UHFFFAOYSA-N261.9Ex 261.91(BP est) 62.59(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Br)(Br)I 62.6Pred
IC[AsH]C(Br)Br19680389.688C2H4AsBr2I(dibromomethyl)(iodomethyl)arsaneN106IC[As]([H])C(Br)BrInChI=1S/C2H4AsBr2I/c4-2(5)3-1-6/h2-3H,1H2InChIKey=BMZBLGIAIWEQJU-UHFFFAOYSA-N268.5Ex 268.53(BP est) 59.35(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(Br)Br 59.4Pred
[AsH2]C(Cl)=C(I)I19681390.219C2H2AsClI2(1-chloro-2,2-diiodovinyl)arsaneN86[As]([H])([H])C(Cl)=C(I)IInChI=1S/C2H2AsClI2/c3-1(4)2(5)6/h3H2InChIKey=NITNQZVKTUSEAJ-UHFFFAOYSA-N271.4Ex 271.42(BP est) 51.69(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)=C(I)I 51.7Pred
[AsH2]C(I)=C(I)Cl19682390.219C2H2AsClI2(2-chloro-1,2-diiodovinyl)arsaneN86[As]([H])([H])C(I)=C(I)ClInChI=1S/C2H2AsClI2/c3-1(5)2(4)6/h3H2InChIKey=ASIDZMZJFOTQLA-UHFFFAOYSA-N271.4Ex 271.42(BP est) 51.69(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)=C(I)Cl 51.7Pred
IC1[AsH]C1(Cl)I19683390.219C2H2AsClI22-chloro-2,3-diiodoarsiraneN86IC1[As]([H])C1(Cl)IInChI=1S/C2H2AsClI2/c4-2(6)1(5)3-2/h1,3HInChIKey=PRQYWALHHOCNKZ-UHFFFAOYSA-N263.1Ex 263.05(BP est) 65.39(MP est) ----(BP exp) ----(MP exp) IC1[As]([H])C1(Cl)I 65.4Pred
ClC1[AsH]C1(I)I19684390.219C2H2AsClI23-chloro-2,2-diiodoarsiraneN86ClC1[As]([H])C1(I)IInChI=1S/C2H2AsClI2/c4-1-2(5,6)3-1/h1,3HInChIKey=UCUUSOJIRGVPON-UHFFFAOYSA-N272.1Ex 272.06(BP est) 68.90(MP est) ----(BP exp) ----(MP exp) ClC1[As]([H])C1(I)I 68.9Pred
[AsH2]C(Cl)(I)CI19685392.235C2H4AsClI2(1-chloro-1,2-diiodoethyl)arsaneN106[As]([H])([H])C(Cl)(I)CIInChI=1S/C2H4AsClI2/c3-2(4,6)1-5/h1,3H2InChIKey=DSJVNOWNZLTFOR-UHFFFAOYSA-N260.2Ex 260.22(BP est) 56.84(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Cl)(I)CI 56.8Pred
[AsH2]C(C(I)I)Cl19686392.235C2H4AsClI2(1-chloro-2,2-diiodoethyl)arsaneN106[As]([H])([H])C(C(I)I)ClInChI=1S/C2H4AsClI2/c3-1(4)2(5)6/h1-2H,3H2InChIKey=JLNPQDCHFLLUIO-UHFFFAOYSA-N265.9Ex 265.90(BP est) 51.57(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)I)Cl 51.6Pred
[AsH2]C(I)(I)CCl19687392.235C2H4AsClI2(2-chloro-1,1-diiodoethyl)arsaneN106[As]([H])([H])C(I)(I)CClInChI=1S/C2H4AsClI2/c3-2(5,6)1-4/h1,3H2InChIKey=LZOHTVZSYHGHBS-UHFFFAOYSA-N278.2Ex 278.17(BP est) 63.83(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(I)(I)CCl 63.8Pred
[AsH2]C(C(I)Cl)I19688392.235C2H4AsClI2(2-chloro-1,2-diiodoethyl)arsaneN106[As]([H])([H])C(C(I)Cl)IInChI=1S/C2H4AsClI2/c3-1(5)2(4)6/h1-2H,3H2InChIKey=YSBVWZREGYLPEF-UHFFFAOYSA-N265.9Ex 265.90(BP est) 51.57(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(C(I)Cl)I 51.6Pred
[AsH2]CC(Cl)(I)I19689392.235C2H4AsClI2(2-chloro-2,2-diiodoethyl)arsaneN106[As]([H])([H])CC(Cl)(I)IInChI=1S/C2H4AsClI2/c3-1-2(4,5)6/h1,3H2InChIKey=ZGKBELFQVRUXCD-UHFFFAOYSA-N260.2Ex 260.22(BP est) 56.84(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CC(Cl)(I)I 56.8Pred
C[AsH]C(Cl)(I)I19690392.235C2H4AsClI2(chlorodiiodomethyl)(methyl)arsaneN106C[As]([H])C(Cl)(I)IInChI=1S/C2H4AsClI2/c1-3-2(4,5)6/h3H,1H3InChIKey=RYTGOGGRLWCLTL-UHFFFAOYSA-N258.7Ex 258.65(BP est) 50.78(MP est) ----(BP exp) ----(MP exp) C[As]([H])C(Cl)(I)I 50.8Pred
IC[AsH]C(I)Cl19691392.235C2H4AsClI2(chloroiodomethyl)(iodomethyl)arsaneN106IC[As]([H])C(I)ClInChI=1S/C2H4AsClI2/c4-2(6)3-1-5/h2-3H,1H2InChIKey=INZHFTUWRNIBKN-UHFFFAOYSA-N274.3Ex 274.28(BP est) 53.33(MP est) ----(BP exp) ----(MP exp) IC[As]([H])C(I)Cl 53.3Pred
ClC[AsH]C(I)I19692392.235C2H4AsClI2(chloromethyl)(diiodomethyl)arsaneN106ClC[As]([H])C(I)IInChI=1S/C2H4AsClI2/c4-1-3-2(5)6/h2-3H,1H2InChIKey=CIUREDGJJPJICI-UHFFFAOYSA-N283.0Ex 282.98(BP est) 55.88(MP est) ----(BP exp) ----(MP exp) ClC[As]([H])C(I)I 55.9Pred
[AsH2]C(Br)(I)I19693422.662CH2AsBrI2(bromodiiodomethyl)arsaneN75[As]([H])([H])C(Br)(I)IInChI=1S/CH2AsBrI2/c2-1(3,4)5/h2H2InChIKey=NJYMHXWBRQJTMY-UHFFFAOYSA-N271.1Ex 271.11(BP est) 67.29(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])C(Br)(I)I 67.3Pred
OC(C[As](O)O)=O19708167.98C2H5AsO42-(dihydroxyarsaneyl)acetic acidN127OC(C[As](O)O)=OInChI=1S/C2H5AsO4/c4-2(5)1-3(6)7/h6-7H,1H2,(H,4,5)InChIKey=LSOPUTSWPYOCBA-UHFFFAOYSA-N332.3Ex 332.27(BP est) 109.02(MP est) ----(BP exp) ----(MP exp) OC(C[As](O)O)=O 109Pred
C[AsH]C[AsH2]19818181.929C2H8As2(arsaneylmethyl)(methyl)arsaneN124C[As]([H])C[As]([H])([H])InChI=1S/C2H8As2/c1-4-2-3/h4H,2-3H2,1H3InChIKey=TWVRGMBCOXJJAS-UHFFFAOYSA-N45.6Ex 45.56(BP est) -70.78(MP est) ----(BP exp) ----(MP exp) C[As]([H])C[As]([H])([H]) -70.8Pred
[AsH2]CCC[AsH2]19819195.956C3H10As21,3-diarsaneylpropaneN155[As]([H])([H])CCC[As]([H])([H])InChI=1S/C3H10As2/c4-2-1-3-5/h1-5H2InChIKey=FIDDFDLPBGXKNK-UHFFFAOYSA-N73.4Ex 73.42(BP est) -48.82(MP est) ----(BP exp) ----(MP exp) [As]([H])([H])CCC[As]([H])([H]) -48.8Pred
C[As](C[AsH2])C19820195.956C3H10As2(arsaneylmethyl)dimethylarsaneN155C[As](C[As]([H])([H]))CInChI=1S/C3H10As2/c1-5(2)3-4/h3-4H2,1-2H3InChIKey=CTGYUIYQHLBWBT-UHFFFAOYSA-N68.8Ex 68.78(BP est) -66.55(MP est) ----(BP exp) ----(MP exp) C[As](C[As]([H])([H]))C -66.6Pred
O[Si]1(O)CC11982390.153C2H6O2Sisilirane-1,1-diolN115O[Si]1(O)CC1InChI=1S/C2H6O2Si/c3-5(4)1-2-5/h3-4H,1-2H2InChIKey=NFURRUGGPLZLAC-UHFFFAOYSA-N179.9Ex 179.87(BP est) 12.35(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)CC1 12.4Pred
O[Si]1(C)C=C11982886.165C3H6OSi1-methyl-1H-siliren-1-olN115O[Si]1(C)C=C1InChI=1S/C3H6OSi/c1-5(4)2-3-5/h2-4H,1H3InChIKey=ATQYFHRGFROEON-UHFFFAOYSA-N105.1Ex 105.12(BP est) -12.87(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C=C1 -12.9Pred
O[Si]1(O)C=C11982988.137C2H4O2Si1H-silirene-1,1-diolN95O[Si]1(O)C=C1InChI=1S/C2H4O2Si/c3-5(4)1-2-5/h1-4HInChIKey=ITKIVJLQRNJFFN-UHFFFAOYSA-N182.6Ex 182.59(BP est) 13.74(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C=C1 13.7Pred
O[Si]1(F)C=C11983090.1284C2H3FOSi1-fluoro-1H-siliren-1-olN85O[Si]1(F)C=C1InChI=1S/C2H3FOSi/c3-5(4)1-2-5/h1-2,4HInChIKey=OBHPVUGYFDZKGG-UHFFFAOYSA-N83.3Ex 83.25(BP est) -24.60(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C=C1 -24.6Pred
F[Si]1(C)C=C11983188.1564C3H5FSi1-fluoro-1-methyl-1H-silireneN105F[Si]1(C)C=C1InChI=1S/C3H5FSi/c1-5(4)2-3-5/h2-3H,1H3InChIKey=XSBDTBYJODOMCZ-UHFFFAOYSA-N-8.0Ex -8.00(BP est) -76.01(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C=C1 -76Pred
F[Si]1(F)C=C11983292.1198C2H2F2Si1,1-difluoro-1H-silireneN75F[Si]1(F)C=C1InChI=1S/C2H2F2Si/c3-5(4)1-2-5/h1-2HInChIKey=HEBZTRUROXNKOI-UHFFFAOYSA-N-33.4Ex -33.44(BP est) -88.78(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C=C1 -88.8Pred
C[Si]1(C)C=C11983384.193C4H8Si1,1-dimethyl-1H-silireneN135C[Si]1(C)C=C1InChI=1S/C4H8Si/c1-5(2)3-4-5/h3-4H,1-2H3InChIKey=VGDGNEUJZVXKBA-UHFFFAOYSA-N16.7Ex 16.71(BP est) -63.46(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C=C1 -63.5Pred
O[Si](O)(C)C1983592.169C2H8O2SidimethylsilanediolN135O[Si](O)(C)CInChI=1S/C2H8O2Si/c1-5(2,3)4/h3-4H,1-2H3InChIKey=XCLIHDJZGPCUBT-UHFFFAOYSA-N184.3Ex 184.32(BP est) -18.70(MP est) ----(BP exp) ----(MP exp) O[Si](O)(C)C -18.7Pred
O[Si](O)(C)O1983694.141CH6O3SimethylsilanetriolN115O[Si](O)(C)OInChI=1S/CH6O3Si/c1-5(2,3)4/h2-4H,1H3InChIKey=ZJBHFQKJEBGFNL-UHFFFAOYSA-N250.6Ex 250.57(BP est) 25.42(MP est) ----(BP exp) ----(MP exp) O[Si](O)(C)O 25.4Pred
O[Si]1(C)C(C)C119844102.208C4H10OSi1,2-dimethylsiliran-1-olN166O[Si]1(C)C(C)C1InChI=1S/C4H10OSi/c1-4-3-6(4,2)5/h4-5H,3H2,1-2H3InChIKey=ZGQDPCBTNKAFLM-UHFFFAOYSA-N118.8Ex 118.77(BP est) -5.75(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(C)C1 -5.8Pred
O[Si]1(O)C(C)C119845104.18C3H8O2Si2-methylsilirane-1,1-diolN146O[Si]1(O)C(C)C1InChI=1S/C3H8O2Si/c1-3-2-6(3,4)5/h3-5H,2H2,1H3InChIKey=OQXIFCOACFEDEE-UHFFFAOYSA-N194.4Ex 194.41(BP est) 20.48(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(C)C1 20.5Pred
O[Si]1(O)C(N)C119846105.168C2H7NO2Si2-aminosilirane-1,1-diolN136O[Si]1(O)C(N)C1InChI=1S/C2H7NO2Si/c3-2-1-6(2,4)5/h2,4-5H,1,3H2InChIKey=CBVBCOMDVARFKI-UHFFFAOYSA-N226.5Ex 226.48(BP est) 52.52(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(N)C1 52.5Pred
O[Si]1(O)C(O)C119847106.152C2H6O3Sisilirane-1,1,2-triolN126O[Si]1(O)C(O)C1InChI=1S/C2H6O3Si/c3-2-1-6(2,4)5/h2-5H,1H2InChIKey=PRSKTJSNFNSNCR-UHFFFAOYSA-N240.6Ex 240.59(BP est) 53.09(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(O)C1 53.1Pred
O[Si]1(O)C(S)C119848122.213C2H6O2SSi2-mercaptosilirane-1,1-diolN126O[Si]1(O)C(S)C1InChI=1S/C2H6O2SSi/c3-6(4)1-2(6)5/h2-5H,1H2InChIKey=MMWCOUMGQNGEKX-UHFFFAOYSA-N241.4Ex 241.39(BP est) 47.35(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(S)C1 47.4Pred
O[Si]1(O)C(F)C119849108.143C2H5FO2Si2-fluorosilirane-1,1-diolN116O[Si]1(O)C(F)C1InChI=1S/C2H5FO2Si/c3-2-1-6(2,4)5/h2,4-5H,1H2InChIKey=IDZUHFYIIOEYNA-UHFFFAOYSA-N175.9Ex 175.85(BP est) 9.68(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(F)C1 9.7Pred
O[Si]1(O)C(Cl)C119850124.595C2H5ClO2Si2-chlorosilirane-1,1-diolN116O[Si]1(O)C(Cl)C1InChI=1S/C2H5ClO2Si/c3-2-1-6(2,4)5/h2,4-5H,1H2InChIKey=RDNWRNZSVVCTRA-UHFFFAOYSA-N216.7Ex 216.67(BP est) 34.89(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(Cl)C1 34.9Pred
O[Si]1(O)C(Br)C119851169.049C2H5BrO2Si2-bromosilirane-1,1-diolN116O[Si]1(O)C(Br)C1InChI=1S/C2H5BrO2Si/c3-2-1-6(2,4)5/h2,4-5H,1H2InChIKey=RCHFYZMHKDAEEM-UHFFFAOYSA-N237.4Ex 237.35(BP est) 51.42(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(Br)C1 51.4Pred
O[Si]1(O)C(I)C119852216.049C2H5IO2Si2-iodosilirane-1,1-diolN116O[Si]1(O)C(I)C1InChI=1S/C2H5IO2Si/c3-2-1-6(2,4)5/h2,4-5H,1H2InChIKey=NCYYSAOCEADEGJ-UHFFFAOYSA-N262.9Ex 262.88(BP est) 62.16(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(I)C1 62.2Pred
O[Si]1(F)C(C)C119853106.171C3H7FOSi1-fluoro-2-methylsiliran-1-olN136O[Si]1(F)C(C)C1InChI=1S/C3H7FOSi/c1-3-2-6(3,4)5/h3,5H,2H2,1H3InChIKey=VHIZOHOKEKPORA-UHFFFAOYSA-N97.4Ex 97.37(BP est) -17.34(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(C)C1 -17.3Pred
O[Si]1(F)C(N)C119854107.159C2H6FNOSi2-amino-1-fluorosiliran-1-olN126O[Si]1(F)C(N)C1InChI=1S/C2H6FNOSi/c3-6(5)1-2(6)4/h2,5H,1,4H2InChIKey=YNSRDJARNSIEGQ-UHFFFAOYSA-N136.0Ex 135.98(BP est) 29.93(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(N)C1 29.9Pred
O[Si]1(F)C(O)C119855108.143C2H5FO2Si1-fluorosilirane-1,2-diolN116O[Si]1(F)C(O)C1InChI=1S/C2H5FO2Si/c3-6(5)1-2(6)4/h2,4-5H,1H2InChIKey=WGMARMFRQJWDQQ-UHFFFAOYSA-N153.1Ex 153.14(BP est) 23.72(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(O)C1 23.7Pred
O[Si]1(F)C(S)C119856124.204C2H5FOSSi1-fluoro-2-mercaptosiliran-1-olN116O[Si]1(F)C(S)C1InChI=1S/C2H5FOSSi/c3-6(4)1-2(6)5/h2,4-5H,1H2InChIKey=OEDMBGIZEIHQIV-UHFFFAOYSA-N154.1Ex 154.12(BP est) 11.82(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(S)C1 11.8Pred
O[Si]1(F)C(I)C119860218.041C2H4FIOSi1-fluoro-2-iodosiliran-1-olN106O[Si]1(F)C(I)C1InChI=1S/C2H4FIOSi/c3-6(5)1-2(6)4/h2,5H,1H2InChIKey=CKOPLVKNXWCCCU-UHFFFAOYSA-N180.5Ex 180.51(BP est) 17.46(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(I)C1 17.5Pred
O[Si]1(C)C(N)C119861103.196C3H9NOSi2-amino-1-methylsiliran-1-olN156O[Si]1(C)C(N)C1InChI=1S/C3H9NOSi/c1-6(5)2-3(6)4/h3,5H,2,4H2,1H3InChIKey=PXWWNDCALHWEFL-UHFFFAOYSA-N156.0Ex 156.03(BP est) 9.28(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(N)C1 9.3Pred
O[Si]1(C)C(O)C119862104.18C3H8O2Si1-methylsilirane-1,2-diolN146O[Si]1(C)C(O)C1InChI=1S/C3H8O2Si/c1-6(5)2-3(6)4/h3-5H,2H2,1H3InChIKey=CXARHALYFJZQJC-UHFFFAOYSA-N172.6Ex 172.56(BP est) 10.91(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(O)C1 10.9Pred
O[Si]1(C)C(S)C119863120.241C3H8OSSi2-mercapto-1-methylsiliran-1-olN146O[Si]1(C)C(S)C1InChI=1S/C3H8OSSi/c1-6(4)2-3(6)5/h3-5H,2H2,1H3InChIKey=WDQXEQVHCJISIQ-UHFFFAOYSA-N173.5Ex 173.50(BP est) 22.82(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(S)C1 22.8Pred
O[Si]1(C)C(Br)C119866167.077C3H7BrOSi2-bromo-1-methylsiliran-1-olN136O[Si]1(C)C(Br)C1InChI=1S/C3H7BrOSi/c1-6(5)2-3(6)4/h3,5H,2H2,1H3InChIKey=FJESDCICWUTGAT-UHFFFAOYSA-N168.8Ex 168.75(BP est) 8.99(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(Br)C1 9Pred
O[Si]1(C)C(I)C119867214.077C3H7IOSi2-iodo-1-methylsiliran-1-olN136O[Si]1(C)C(I)C1InChI=1S/C3H7IOSi/c1-6(5)2-3(6)4/h3,5H,2H2,1H3InChIKey=LFEXJRBBTGOMKW-UHFFFAOYSA-N198.9Ex 198.89(BP est) 28.18(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(I)C1 28.2Pred
F[Si]1(C)C(C)C119868104.199C4H9FSi1-fluoro-1,2-dimethylsiliraneN156F[Si]1(C)C(C)C1InChI=1S/C4H9FSi/c1-4-3-6(4,2)5/h4H,3H2,1-2H3InChIKey=QDNWLQHCHKGDSE-UHFFFAOYSA-N7.9Ex 7.94(BP est) -68.22(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(C)C1 -68.2Pred
F[Si]1(F)C(C)C119869108.163C3H6F2Si1,1-difluoro-2-methylsiliraneN126F[Si]1(F)C(C)C1InChI=1S/C3H6F2Si/c1-3-2-6(3,4)5/h3H,2H2,1H3InChIKey=IXVGAGKXJGEGJC-UHFFFAOYSA-N-17.0Ex -17.03(BP est) -80.86(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(C)C1 -80.9Pred
F[Si]1(F)C(N)C119870109.151C2H5F2NSi1,1-difluorosiliran-2-amineN116F[Si]1(F)C(N)C1InChI=1S/C2H5F2NSi/c3-6(4)1-2(6)5/h2H,1,5H2InChIKey=LNWSXKIXFHDXLB-UHFFFAOYSA-N28.1Ex 28.12(BP est) -31.68(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(N)C1 -31.7Pred
F[Si]1(F)C(O)C119871110.135C2H4F2OSi1,1-difluorosiliran-2-olN106F[Si]1(F)C(O)C1InChI=1S/C2H4F2OSi/c3-6(4)1-2(6)5/h2,5H,1H2InChIKey=MVAHCTUSGXKLAJ-UHFFFAOYSA-N48.3Ex 48.33(BP est) -37.00(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(O)C1 -37Pred
F[Si]1(F)C(S)C119872126.196C2H4F2SSi1,1-difluorosilirane-2-thiolN106F[Si]1(F)C(S)C1InChI=1S/C2H4F2SSi/c3-6(4)1-2(6)5/h2,5H,1H2InChIKey=YSCHGIPEDXUVLL-UHFFFAOYSA-N49.5Ex 49.48(BP est) -48.84(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(S)C1 -48.8Pred
F[Si]1(C)C(N)C119877105.187C3H8FNSi1-fluoro-1-methylsiliran-2-amineN146F[Si]1(C)C(N)C1InChI=1S/C3H8FNSi/c1-6(4)2-3(6)5/h3H,2,5H2,1H3InChIKey=CEWDZSDOYDSUHE-UHFFFAOYSA-N51.7Ex 51.74(BP est) -19.44(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(N)C1 -19.4Pred
F[Si]1(C)C(O)C119878106.171C3H7FOSi1-fluoro-1-methylsiliran-2-olN136F[Si]1(C)C(O)C1InChI=1S/C3H7FOSi/c1-6(4)2-3(6)5/h3,5H,2H2,1H3InChIKey=FPGUAXQQQNJHIQ-UHFFFAOYSA-N71.3Ex 71.32(BP est) -24.94(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(O)C1 -24.9Pred
F[Si]1(C)C(S)C119879122.232C3H7FSSi1-fluoro-1-methylsilirane-2-thiolN136F[Si]1(C)C(S)C1InChI=1S/C3H7FSSi/c1-6(4)2-3(6)5/h3,5H,2H2,1H3InChIKey=PCDZVSYVENJWFP-UHFFFAOYSA-N72.4Ex 72.44(BP est) -36.80(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(S)C1 -36.8Pred
C[Si]1(C)C(C)C119884100.236C5H12Si1,1,2-trimethylsiliraneN186C[Si]1(C)C(C)C1InChI=1S/C5H12Si/c1-5-4-6(5,2)3/h5H,4H2,1-3H3InChIKey=DWUJSKGQVDRSNG-UHFFFAOYSA-N32.2Ex 32.17(BP est) -55.81(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(C)C1 -55.8Pred
C[Si]1(C)C(N)C119885101.224C4H11NSi1,1-dimethylsiliran-2-amineN176C[Si]1(C)C(N)C1InChI=1S/C4H11NSi/c1-6(2)3-4(6)5/h4H,3,5H2,1-2H3InChIKey=LPTAQBVCDFWKPF-UHFFFAOYSA-N74.6Ex 74.63(BP est) -7.42(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(N)C1 -7.4Pred
C[Si]1(C)C(O)C119886102.208C4H10OSi1,1-dimethylsiliran-2-olN166C[Si]1(C)C(O)C1InChI=1S/C4H10OSi/c1-6(2)3-4(6)5/h4-5H,3H2,1-2H3InChIKey=VTAJKDFOPREDOF-UHFFFAOYSA-N93.6Ex 93.58(BP est) -13.11(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(O)C1 -13.1Pred
C[Si]1(C)C(S)C119887118.269C4H10SSi1,1-dimethylsilirane-2-thiolN166C[Si]1(C)C(S)C1InChI=1S/C4H10SSi/c1-6(2)3-4(6)5/h4-5H,3H2,1-2H3InChIKey=IDZKZMJWHWQOAA-UHFFFAOYSA-N94.7Ex 94.66(BP est) -24.97(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(S)C1 -25Pred
O[Si]1(C)C(C)=C119892100.192C4H8OSi1,2-dimethyl-1H-siliren-1-olN146O[Si]1(C)C(C)=C1InChI=1S/C4H8OSi/c1-4-3-6(4,2)5/h3,5H,1-2H3InChIKey=QTRGKAVPMFPAOU-UHFFFAOYSA-N126.5Ex 126.53(BP est) 5.27(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(C)=C1 5.3Pred
O[Si]1(O)C(C)=C119893102.164C3H6O2Si2-methyl-1H-silirene-1,1-diolN126O[Si]1(O)C(C)=C1InChI=1S/C3H6O2Si/c1-3-2-6(3,4)5/h2,4-5H,1H3InChIKey=MZEPBCFGBMZRMM-UHFFFAOYSA-N201.1Ex 201.12(BP est) 27.80(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(C)=C1 27.8Pred
O[Si]1(O)C(N)=C119894103.152C2H5NO2Si2-amino-1H-silirene-1,1-diolN116O[Si]1(O)C(N)=C1InChI=1S/C2H5NO2Si/c3-2-1-6(2,4)5/h1,4-5H,3H2InChIKey=DVWMXCLZCRMYAH-UHFFFAOYSA-N232.7Ex 232.69(BP est) 59.62(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(N)=C1 59.6Pred
O[Si]1(O)C(O)=C119895104.136C2H4O3Si1H-silirene-1,1,2-triolN106O[Si]1(O)C(O)=C1InChI=1S/C2H4O3Si/c3-2-1-6(2,4)5/h1,3-5HInChIKey=JMNVTSXRKMGZRL-UHFFFAOYSA-N264.8Ex 264.76(BP est) 68.06(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(O)=C1 68.1Pred
O[Si]1(O)C(S)=C119896120.197C2H4O2SSi2-mercapto-1H-silirene-1,1-diolN106O[Si]1(O)C(S)=C1InChI=1S/C2H4O2SSi/c3-6(4)1-2(6)5/h1,3-5HInChIKey=SAKIEHXSMWWPSY-UHFFFAOYSA-N247.4Ex 247.35(BP est) 54.34(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(S)=C1 54.3Pred
O[Si]1(O)C(F)=C119897106.127C2H3FO2Si2-fluoro-1H-silirene-1,1-diolN96O[Si]1(O)C(F)=C1InChI=1S/C2H3FO2Si/c3-2-1-6(2,4)5/h1,4-5HInChIKey=NGCBHHNPGGYACG-UHFFFAOYSA-N182.8Ex 182.84(BP est) 17.12(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(F)=C1 17.1Pred
O[Si]1(O)C(Cl)=C119898122.579C2H3ClO2Si2-chloro-1H-silirene-1,1-diolN96O[Si]1(O)C(Cl)=C1InChI=1S/C2H3ClO2Si/c3-2-1-6(2,4)5/h1,4-5HInChIKey=OSTXJQWQMRSOMU-UHFFFAOYSA-N210.9Ex 210.93(BP est) 36.76(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(Cl)=C1 36.8Pred
O[Si]1(O)C(Br)=C119899167.033C2H3BrO2Si2-bromo-1H-silirene-1,1-diolN96O[Si]1(O)C(Br)=C1InChI=1S/C2H3BrO2Si/c3-2-1-6(2,4)5/h1,4-5HInChIKey=PMFZLUUCEXQNMR-UHFFFAOYSA-N243.4Ex 243.38(BP est) 58.44(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(Br)=C1 58.4Pred
O[Si]1(O)C(I)=C119900214.033C2H3IO2Si2-iodo-1H-silirene-1,1-diolN96O[Si]1(O)C(I)=C1InChI=1S/C2H3IO2Si/c3-2-1-6(2,4)5/h1,4-5HInChIKey=DJDRPOWWXJQCMS-UHFFFAOYSA-N268.5Ex 268.47(BP est) 68.99(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)C(I)=C1 69Pred
O[Si]1(F)C(C)=C119901104.155C3H5FOSi1-fluoro-2-methyl-1H-siliren-1-olN116O[Si]1(F)C(C)=C1InChI=1S/C3H5FOSi/c1-3-2-6(3,4)5/h2,5H,1H3InChIKey=RUUWJIJGBQEWNN-UHFFFAOYSA-N105.4Ex 105.41(BP est) -6.23(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(C)=C1 -6.2Pred
O[Si]1(F)C(N)=C119902105.143C2H4FNOSi2-amino-1-fluoro-1H-siliren-1-olN106O[Si]1(F)C(N)=C1InChI=1S/C2H4FNOSi/c3-6(5)1-2(6)4/h1,5H,4H2InChIKey=ZLGQAJZIAMFZHH-UHFFFAOYSA-N143.5Ex 143.52(BP est) 5.51(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(N)=C1 5.5Pred
O[Si]1(F)C(O)=C119903106.127C2H3FO2Si1-fluoro-1H-silirene-1,2-diolN96O[Si]1(F)C(O)=C1InChI=1S/C2H3FO2Si/c3-6(5)1-2(6)4/h1,4-5HInChIKey=WBCKKKKOJZMRHX-UHFFFAOYSA-N182.8Ex 182.84(BP est) 17.12(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(O)=C1 17.1Pred
O[Si]1(F)C(S)=C119904122.188C2H3FOSSi1-fluoro-2-mercapto-1H-siliren-1-olN96O[Si]1(F)C(S)=C1InChI=1S/C2H3FOSSi/c3-6(4)1-2(6)5/h1,4-5HInChIKey=GEVYKUCLBZIZIZ-UHFFFAOYSA-N161.4Ex 161.41(BP est) 22.71(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(S)=C1 22.7Pred
O[Si]1(F)C(F)=C119905108.119C2H2F2OSi1,2-difluoro-1H-siliren-1-olN86O[Si]1(F)C(F)=C1InChI=1S/C2H2F2OSi/c3-2-1-6(2,4)5/h1,5HInChIKey=HQQYANDULOHSFA-UHFFFAOYSA-N83.6Ex 83.55(BP est) -17.96(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(F)=C1 -18Pred
O[Si]1(F)C(Cl)=C119906124.57C2H2ClFOSi2-chloro-1-fluoro-1H-siliren-1-olN86O[Si]1(F)C(Cl)=C1InChI=1S/C2H2ClFOSi/c3-2-1-6(2,4)5/h1,5HInChIKey=WOKVNHYCCFZCGP-UHFFFAOYSA-N117.2Ex 117.19(BP est) 6.53(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(Cl)=C1 6.5Pred
O[Si]1(F)C(Br)=C119907169.024C2H2BrFOSi2-bromo-1-fluoro-1H-siliren-1-olN86O[Si]1(F)C(Br)=C1InChI=1S/C2H2BrFOSi/c3-2-1-6(2,4)5/h1,5HInChIKey=IIWHOTZJRMGLQL-UHFFFAOYSA-N156.5Ex 156.54(BP est) 5.35(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(Br)=C1 5.4Pred
O[Si]1(F)C(I)=C119908216.025C2H2FIOSi1-fluoro-2-iodo-1H-siliren-1-olN86O[Si]1(F)C(I)=C1InChI=1S/C2H2FIOSi/c3-6(5)1-2(6)4/h1,5HInChIKey=DRWJVGMXPZUUSH-UHFFFAOYSA-N187.4Ex 187.42(BP est) 18.44(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)C(I)=C1 18.4Pred
O[Si]1(C)C(N)=C119909101.18C3H7NOSi2-amino-1-methyl-1H-siliren-1-olN136O[Si]1(C)C(N)=C1InChI=1S/C3H7NOSi/c1-6(5)2-3(6)4/h2,5H,4H2,1H3InChIKey=UCKCNSGEPIFPIQ-UHFFFAOYSA-N163.3Ex 163.29(BP est) 16.84(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(N)=C1 16.8Pred
O[Si]1(C)C(O)=C119910102.164C3H6O2Si1-methyl-1H-silirene-1,2-diolN126O[Si]1(C)C(O)=C1InChI=1S/C3H6O2Si/c1-6(5)2-3(6)4/h2,4-5H,1H3InChIKey=TXGFKGBIRLITSQ-UHFFFAOYSA-N201.1Ex 201.12(BP est) 27.80(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(O)=C1 27.8Pred
O[Si]1(C)C(S)=C119911118.225C3H6OSSi2-mercapto-1-methyl-1H-siliren-1-olN126O[Si]1(C)C(S)=C1InChI=1S/C3H6OSSi/c1-6(4)2-3(6)5/h2,4-5H,1H3InChIKey=SMHGPNCKNAAYAW-UHFFFAOYSA-N180.5Ex 180.52(BP est) 12.69(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(S)=C1 12.7Pred
O[Si]1(C)C(F)=C119912104.155C3H5FOSi2-fluoro-1-methyl-1H-siliren-1-olN116O[Si]1(C)C(F)=C1InChI=1S/C3H5FOSi/c1-6(5)2-3(6)4/h2,5H,1H3InChIKey=PEPBSKRCNHPWFL-UHFFFAOYSA-N105.4Ex 105.41(BP est) -6.23(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(F)=C1 -6.2Pred
O[Si]1(C)C(Cl)=C119913120.607C3H5ClOSi2-chloro-1-methyl-1H-siliren-1-olN116O[Si]1(C)C(Cl)=C1InChI=1S/C3H5ClOSi/c1-6(5)2-3(6)4/h2,5H,1H3InChIKey=WQXRCXADCRGMSS-UHFFFAOYSA-N137.9Ex 137.91(BP est) 17.92(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(Cl)=C1 17.9Pred
O[Si]1(C)C(Br)=C119914165.061C3H5BrOSi2-bromo-1-methyl-1H-siliren-1-olN116O[Si]1(C)C(Br)=C1InChI=1S/C3H5BrOSi/c1-6(5)2-3(6)4/h2,5H,1H3InChIKey=XFFRRODPAZAMSW-UHFFFAOYSA-N175.8Ex 175.84(BP est) 16.47(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(Br)=C1 16.5Pred
O[Si]1(C)C(I)=C119915212.061C3H5IOSi2-iodo-1-methyl-1H-siliren-1-olN116O[Si]1(C)C(I)=C1InChI=1S/C3H5IOSi/c1-6(5)2-3(6)4/h2,5H,1H3InChIKey=NTQITPVIGWHDQF-UHFFFAOYSA-N205.5Ex 205.53(BP est) 29.04(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)C(I)=C1 29Pred
F[Si]1(C)C(C)=C119916102.183C4H7FSi1-fluoro-1,2-dimethyl-1H-silireneN136F[Si]1(C)C(C)=C1InChI=1S/C4H7FSi/c1-4-3-6(4,2)5/h3H,1-2H3InChIKey=PHHIGNVPMPVVPW-UHFFFAOYSA-N17.0Ex 17.03(BP est) -56.81(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(C)=C1 -56.8Pred
F[Si]1(F)C(C)=C119917106.147C3H4F2Si1,1-difluoro-2-methyl-1H-silireneN106F[Si]1(F)C(C)=C1InChI=1S/C3H4F2Si/c1-3-2-6(3,4)5/h2H,1H3InChIKey=AZXSVMHLNGTJNF-UHFFFAOYSA-N-7.7Ex -7.67(BP est) -69.36(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(C)=C1 -69.4Pred
F[Si]1(F)C(N)=C119918107.135C2H3F2NSi1,1-difluoro-1H-siliren-2-amineN96F[Si]1(F)C(N)=C1InChI=1S/C2H3F2NSi/c3-6(4)1-2(6)5/h1H,5H2InChIKey=JOMWNZGJUGNXFN-UHFFFAOYSA-N37.0Ex 36.98(BP est) -20.33(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(N)=C1 -20.3Pred
F[Si]1(F)C(O)=C119919108.119C2H2F2OSi1,1-difluoro-1H-siliren-2-olN86F[Si]1(F)C(O)=C1InChI=1S/C2H2F2OSi/c3-6(4)1-2(6)5/h1,5HInChIKey=LPACHHZKGVYYQW-UHFFFAOYSA-N83.6Ex 83.55(BP est) -17.96(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(O)=C1 -18Pred
F[Si]1(F)C(S)=C119920124.18C2H2F2SSi1,1-difluoro-1H-silirene-2-thiolN86F[Si]1(F)C(S)=C1InChI=1S/C2H2F2SSi/c3-6(4)1-2(6)5/h1,5HInChIKey=DQMJNFLUJGHAHW-UHFFFAOYSA-N58.1Ex 58.10(BP est) -37.56(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(S)=C1 -37.6Pred
F[Si]1(F)C(F)=C119921110.11C2HF3Si1,1,2-trifluoro-1H-silireneN76F[Si]1(F)C(F)=C1InChI=1S/C2HF3Si/c3-2-1-6(2,4)5/h1HInChIKey=JKFNKZMXEYLUKT-UHFFFAOYSA-N-33.1Ex -33.10(BP est) -82.13(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(F)=C1 -82.1Pred
F[Si]1(F)C(Cl)=C119922126.562C2HClF2Si2-chloro-1,1-difluoro-1H-silireneN76F[Si]1(F)C(Cl)=C1InChI=1S/C2HClF2Si/c3-2-1-6(2,4)5/h1HInChIKey=LIWZPQNHJACFTF-UHFFFAOYSA-N6.1Ex 6.10(BP est) -56.02(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(Cl)=C1 -56Pred
F[Si]1(F)C(Br)=C119923171.016C2HBrF2Si2-bromo-1,1-difluoro-1H-silireneN76F[Si]1(F)C(Br)=C1InChI=1S/C2HBrF2Si/c3-2-1-6(2,4)5/h1HInChIKey=XUELBEFBPOYJHI-UHFFFAOYSA-N52.4Ex 52.35(BP est) -27.57(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(Br)=C1 -27.6Pred
F[Si]1(F)C(I)=C119924218.016C2HF2ISi1,1-difluoro-2-iodo-1H-silireneN76F[Si]1(F)C(I)=C1InChI=1S/C2HF2ISi/c3-6(4)1-2(6)5/h1HInChIKey=ZAHKDNMKEUXAGL-UHFFFAOYSA-N89.0Ex 89.02(BP est) -17.74(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)C(I)=C1 -17.7Pred
F[Si]1(C)C(N)=C119925103.171C3H6FNSi1-fluoro-1-methyl-1H-siliren-2-amineN126F[Si]1(C)C(N)=C1InChI=1S/C3H6FNSi/c1-6(4)2-3(6)5/h2H,5H2,1H3InChIKey=BSASZUUWRFZLGL-UHFFFAOYSA-N60.3Ex 60.33(BP est) -8.17(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(N)=C1 -8.2Pred
F[Si]1(C)C(O)=C119926104.155C3H5FOSi1-fluoro-1-methyl-1H-siliren-2-olN116F[Si]1(C)C(O)=C1InChI=1S/C3H5FOSi/c1-6(4)2-3(6)5/h2,5H,1H3InChIKey=JWNLODKGLPHDPQ-UHFFFAOYSA-N105.4Ex 105.41(BP est) -6.23(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(O)=C1 -6.2Pred
F[Si]1(C)C(S)=C119927120.216C3H5FSSi1-fluoro-1-methyl-1H-silirene-2-thiolN116F[Si]1(C)C(S)=C1InChI=1S/C3H5FSSi/c1-6(4)2-3(6)5/h2,5H,1H3InChIKey=GXXOABBTQCQHIH-UHFFFAOYSA-N80.8Ex 80.79(BP est) -25.60(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(S)=C1 -25.6Pred
F[Si]1(C)C(F)=C119928106.147C3H4F2Si1,2-difluoro-1-methyl-1H-silireneN106F[Si]1(C)C(F)=C1InChI=1S/C3H4F2Si/c1-6(5)2-3(6)4/h2H,1H3InChIKey=FHUUTWMICLVYIG-UHFFFAOYSA-N-7.7Ex -7.67(BP est) -69.36(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(F)=C1 -69.4Pred
F[Si]1(C)C(Cl)=C119929122.598C3H4ClFSi2-chloro-1-fluoro-1-methyl-1H-silireneN106F[Si]1(C)C(Cl)=C1InChI=1S/C3H4ClFSi/c1-6(5)2-3(6)4/h2H,1H3InChIKey=SWVJLTQZMQSRFQ-UHFFFAOYSA-N30.4Ex 30.39(BP est) -43.59(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(Cl)=C1 -43.6Pred
F[Si]1(C)C(Br)=C119930167.052C3H4BrFSi2-bromo-1-fluoro-1-methyl-1H-silireneN106F[Si]1(C)C(Br)=C1InChI=1S/C3H4BrFSi/c1-6(5)2-3(6)4/h2H,1H3InChIKey=CAGRGXAJHQDYBA-UHFFFAOYSA-N75.2Ex 75.22(BP est) -15.56(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(Br)=C1 -15.6Pred
F[Si]1(C)C(I)=C119931214.053C3H4FISi1-fluoro-2-iodo-1-methyl-1H-silireneN106F[Si]1(C)C(I)=C1InChI=1S/C3H4FISi/c1-6(4)2-3(6)5/h2H,1H3InChIKey=IZZFHOGYYFADQK-UHFFFAOYSA-N110.7Ex 110.70(BP est) -6.07(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)C(I)=C1 -6.1Pred
C[Si]1(C)C(C)=C11993298.22C5H10Si1,1,2-trimethyl-1H-silireneN166C[Si]1(C)C(C)=C1InChI=1S/C5H10Si/c1-5-4-6(5,2)3/h4H,1-3H3InChIKey=XCCWSNMZJHGQAZ-UHFFFAOYSA-N41.0Ex 40.99(BP est) -44.48(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(C)=C1 -44.5Pred
C[Si]1(C)C(N)=C11993399.208C4H9NSi1,1-dimethyl-1H-siliren-2-amineN156C[Si]1(C)C(N)=C1InChI=1S/C4H9NSi/c1-6(2)3-4(6)5/h3H,5H2,1-2H3InChIKey=BHLDUOYTRYHPRC-UHFFFAOYSA-N83.0Ex 82.95(BP est) 3.77(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(N)=C1 3.8Pred
C[Si]1(C)C(O)=C119934100.192C4H8OSi1,1-dimethyl-1H-siliren-2-olN146C[Si]1(C)C(O)=C1InChI=1S/C4H8OSi/c1-6(2)3-4(6)5/h3,5H,1-2H3InChIKey=LUYWRZOFRZOSJM-UHFFFAOYSA-N126.5Ex 126.53(BP est) 5.27(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(O)=C1 5.3Pred
C[Si]1(C)C(S)=C119935116.253C4H8SSi1,1-dimethyl-1H-silirene-2-thiolN146C[Si]1(C)C(S)=C1InChI=1S/C4H8SSi/c1-6(2)3-4(6)5/h3,5H,1-2H3InChIKey=IBMDVYYHVCDDQV-UHFFFAOYSA-N102.7Ex 102.74(BP est) -13.85(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(S)=C1 -13.9Pred
C[Si]1(C)C(F)=C119936102.183C4H7FSi2-fluoro-1,1-dimethyl-1H-silireneN136C[Si]1(C)C(F)=C1InChI=1S/C4H7FSi/c1-6(2)3-4(6)5/h3H,1-2H3InChIKey=WHNIUKLIPDTGRA-UHFFFAOYSA-N17.0Ex 17.03(BP est) -56.81(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(F)=C1 -56.8Pred
C[Si]1(C)C(Cl)=C119937118.635C4H7ClSi2-chloro-1,1-dimethyl-1H-silireneN136C[Si]1(C)C(Cl)=C1InChI=1S/C4H7ClSi/c1-6(2)3-4(6)5/h3H,1-2H3InChIKey=BVYBZFLILLYRSH-UHFFFAOYSA-N53.9Ex 53.94(BP est) -31.37(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(Cl)=C1 -31.4Pred
C[Si]1(C)C(Br)=C119938163.089C4H7BrSi2-bromo-1,1-dimethyl-1H-silireneN136C[Si]1(C)C(Br)=C1InChI=1S/C4H7BrSi/c1-6(2)3-4(6)5/h3H,1-2H3InChIKey=ZQNIMFBULTZOPI-UHFFFAOYSA-N97.4Ex 97.35(BP est) -3.76(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(Br)=C1 -3.8Pred
C[Si]1(C)C(I)=C119939210.089C4H7ISi2-iodo-1,1-dimethyl-1H-silireneN136C[Si]1(C)C(I)=C1InChI=1S/C4H7ISi/c1-6(2)3-4(6)5/h3H,1-2H3InChIKey=XYHFWSVUJOURRE-UHFFFAOYSA-N131.6Ex 131.64(BP est) 5.38(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)C(I)=C1 5.4Pred
O[Si](C1)(C)C1=C19940100.192C4H8OSi1-methyl-2-methylenesiliran-1-olN146O[Si](C1)(C)C1=CInChI=1S/C4H8OSi/c1-4-3-6(4,2)5/h5H,1,3H2,2H3InChIKey=PCNLTYHDEMYQFZ-UHFFFAOYSA-N119.7Ex 119.72(BP est) 3.48(MP est) ----(BP exp) ----(MP exp) O[Si](C1)(C)C1=C 3.5Pred
O[Si](C1)(O)C1=C19941102.164C3H6O2Si2-methylenesilirane-1,1-diolN126O[Si](C1)(O)C1=CInChI=1S/C3H6O2Si/c1-3-2-6(3,4)5/h4-5H,1-2H2InChIKey=KPYIQIITDAMYAA-UHFFFAOYSA-N195.2Ex 195.24(BP est) 25.32(MP est) ----(BP exp) ----(MP exp) O[Si](C1)(O)C1=C 25.3Pred
O[Si](C1)(F)C1=C19942104.155C3H5FOSi1-fluoro-2-methylenesiliran-1-olN116O[Si](C1)(F)C1=CInChI=1S/C3H5FOSi/c1-3-2-6(3,4)5/h5H,1-2H2InChIKey=ACKQTLFGPYZVFB-UHFFFAOYSA-N98.4Ex 98.35(BP est) -8.09(MP est) ----(BP exp) ----(MP exp) O[Si](C1)(F)C1=C -8.1Pred
F[Si](C1)(C)C1=C19943102.183C4H7FSi1-fluoro-1-methyl-2-methylenesiliraneN136F[Si](C1)(C)C1=CInChI=1S/C4H7FSi/c1-4-3-6(4,2)5/h1,3H2,2H3InChIKey=PZFXFDKGLZJBGM-UHFFFAOYSA-N9.1Ex 9.05(BP est) -58.94(MP est) ----(BP exp) ----(MP exp) F[Si](C1)(C)C1=C -58.9Pred
F[Si](C1)(F)C1=C19944106.147C3H4F2Si1,1-difluoro-2-methylenesiliraneN106F[Si](C1)(F)C1=CInChI=1S/C3H4F2Si/c1-3-2-6(3,4)5/h1-2H2InChIKey=YWDNWACNZCXHIP-UHFFFAOYSA-N-15.9Ex -15.89(BP est) -71.56(MP est) ----(BP exp) ----(MP exp) F[Si](C1)(F)C1=C -71.6Pred
C[Si](C1)(C)C1=C1994598.22C5H10Si1,1-dimethyl-2-methylenesiliraneN166C[Si](C1)(C)C1=CInChI=1S/C5H10Si/c1-5-4-6(5,2)3/h1,4H2,2-3H3InChIKey=XQZFIRDFRCUDPT-UHFFFAOYSA-N33.3Ex 33.25(BP est) -46.53(MP est) ----(BP exp) ----(MP exp) C[Si](C1)(C)C1=C -46.5Pred
O[Si]1(O)CCC119947104.18C3H8O2Sisiletane-1,1-diolN146O[Si]1(O)CCC1InChI=1S/C3H8O2Si/c4-6(5)2-1-3-6/h4-5H,1-3H2InChIKey=DWUFXAILMHJWFJ-UHFFFAOYSA-N202.0Ex 202.04(BP est) 30.57(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)CCC1 30.6Pred
O[Si]1(O)CNC119948105.168C2H7NO2Si1,3-azasiletidine-3,3-diolN136O[Si]1(O)CNC1InChI=1S/C2H7NO2Si/c4-6(5)1-3-2-6/h3-5H,1-2H2InChIKey=LMZSSGJPUFQTSB-UHFFFAOYSA-N232.8Ex 232.82(BP est) 60.92(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)CNC1 60.9Pred
O[Si]1(O)COC119949106.152C2H6O3Si1,3-oxasiletane-3,3-diolN126O[Si]1(O)COC1InChI=1S/C2H6O3Si/c3-6(4)1-5-2-6/h3-4H,1-2H2InChIKey=SSXDJHLQBDZVCK-UHFFFAOYSA-N207.4Ex 207.36(BP est) 30.16(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)COC1 30.2Pred
O[Si]1(F)CNC119951107.159C2H6FNOSi3-fluoro-1,3-azasiletidin-3-olN126O[Si]1(F)CNC1InChI=1S/C2H6FNOSi/c3-6(5)1-4-2-6/h4-5H,1-2H2InChIKey=LVQHSFVCGVVYBN-UHFFFAOYSA-N143.7Ex 143.68(BP est) 6.83(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)CNC1 6.8Pred
O[Si]1(F)COC119952108.143C2H5FO2Si3-fluoro-1,3-oxasiletan-3-olN116O[Si]1(F)COC1InChI=1S/C2H5FO2Si/c3-6(4)1-5-2-6/h4H,1-2H2InChIKey=DOTBCUFOSYBGAJ-UHFFFAOYSA-N112.9Ex 112.90(BP est) -4.80(MP est) ----(BP exp) ----(MP exp) O[Si]1(F)COC1 -4.8Pred
O[Si]1(C)CNC119953103.196C3H9NOSi3-methyl-1,3-azasiletidin-3-olN156O[Si]1(C)CNC1InChI=1S/C3H9NOSi/c1-6(5)2-4-3-6/h4-5H,2-3H2,1H3InChIKey=AMPWXFZOFRMBRM-UHFFFAOYSA-N163.5Ex 163.45(BP est) 18.16(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)CNC1 18.2Pred
O[Si]1(C)COC119954104.18C3H8O2Si3-methyl-1,3-oxasiletan-3-olN146O[Si]1(C)COC1InChI=1S/C3H8O2Si/c1-6(4)2-5-3-6/h4H,2-3H2,1H3InChIKey=GZNFKEIBFOIHOX-UHFFFAOYSA-N133.8Ex 133.76(BP est) 6.63(MP est) ----(BP exp) ----(MP exp) O[Si]1(C)COC1 6.6Pred
F[Si]1(F)CNC119957109.151C2H5F2NSi3,3-difluoro-1,3-azasiletidineN116F[Si]1(F)CNC1InChI=1S/C2H5F2NSi/c3-6(4)1-5-2-6/h5H,1-2H2InChIKey=LMKPFVKOAYDWFW-UHFFFAOYSA-N37.2Ex 37.18(BP est) -17.79(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)CNC1 -17.8Pred
F[Si]1(F)COC119958110.135C2H4F2OSi3,3-difluoro-1,3-oxasiletaneN106F[Si]1(F)COC1InChI=1S/C2H4F2OSi/c3-6(4)1-5-2-6/h1-2H2InChIKey=DHMJPZCMOIRECA-UHFFFAOYSA-N1.1Ex 1.07(BP est) -67.56(MP est) ----(BP exp) ----(MP exp) F[Si]1(F)COC1 -67.6Pred
F[Si]1(C)CNC119959105.187C3H8FNSi3-fluoro-3-methyl-1,3-azasiletidineN146F[Si]1(C)CNC1InChI=1S/C3H8FNSi/c1-6(4)2-5-3-6/h5H,2-3H2,1H3InChIKey=ASFXAQNFGNZLFD-UHFFFAOYSA-N60.5Ex 60.52(BP est) -5.63(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)CNC1 -5.6Pred
F[Si]1(C)COC119960106.171C3H7FOSi3-fluoro-3-methyl-1,3-oxasiletaneN136F[Si]1(C)COC1InChI=1S/C3H7FOSi/c1-6(4)2-5-3-6/h2-3H2,1H3InChIKey=HSLAPNAAZKJHTE-UHFFFAOYSA-N25.5Ex 25.51(BP est) -55.08(MP est) ----(BP exp) ----(MP exp) F[Si]1(C)COC1 -55.1Pred
C[Si]1(C)CNC119962101.224C4H11NSi3,3-dimethyl-1,3-azasiletidineN176C[Si]1(C)CNC1InChI=1S/C4H11NSi/c1-6(2)3-5-4-6/h5H,3-4H2,1-2H3InChIKey=KIDMZJNQSOMYMQ-UHFFFAOYSA-N83.1Ex 83.13(BP est) 6.31(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)CNC1 6.3Pred
C[Si]1(C)COC119963102.208C4H10OSi3,3-dimethyl-1,3-oxasiletaneN166C[Si]1(C)COC1InChI=1S/C4H10OSi/c1-6(2)3-5-4-6/h3-4H2,1-2H3InChIKey=HEUJBFBQJBSZFY-UHFFFAOYSA-N49.2Ex 49.21(BP est) -42.82(MP est) ----(BP exp) ----(MP exp) C[Si]1(C)COC1 -42.8Pred
O[Si]1(O)CC=C119965102.164C3H6O2Sisilete-1,1(2H)-diolN126O[Si]1(O)CC=C1InChI=1S/C3H6O2Si/c4-6(5)2-1-3-6/h1-2,4-5H,3H2InChIKey=LEPVSKVZKBWPAD-UHFFFAOYSA-N204.6Ex 204.63(BP est) 31.83(MP est) ----(BP exp) ----(MP exp) O[Si]1(O)CC=C1 31.8Pred
NC[Si]1(O)CC119971103.196C3H9NOSi1-(aminomethyl)siliran-1-olN156NC[Si]1(O)CC1InChI=1S/C3H9NOSi/c4-3-6(5)1-2-6/h5H,1-4H2InChIKey=GIEVIJOSILRROC-UHFFFAOYSA-N162.3Ex 162.31(BP est) 13.09(MP est) ----(BP exp) ----(MP exp) NC[Si]1(O)CC1 13.1Pred
OC[Si]1(O)CC119972104.18C3H8O2Si1-(hydroxymethyl)siliran-1-olN146OC[Si]1(O)CC1InChI=1S/C3H8O2Si/c4-3-6(5)1-2-6/h4-5H,1-3H2InChIKey=VCLFFGVKMZITDN-UHFFFAOYSA-N185.3Ex 185.34(BP est) 17.57(MP est) ----(BP exp) ----(MP exp) OC[Si]1(O)CC1 17.6Pred
SC[Si]1(O)CC119973120.241C3H8OSSi1-(mercaptomethyl)siliran-1-olN146SC[Si]1(O)CC1InChI=1S/C3H8OSSi/c4-6(3-5)1-2-6/h4-5H,1-3H2InChIKey=FPNRAQMTIPUEOD-UHFFFAOYSA-N179.6Ex 179.57(BP est) 26.71(MP est) ----(BP exp) ----(MP exp) SC[Si]1(O)CC1 26.7Pred
BrC[Si]1(O)CC119976167.077C3H7BrOSi1-(bromomethyl)siliran-1-olN136BrC[Si]1(O)CC1InChI=1S/C3H7BrOSi/c4-3-6(5)1-2-6/h5H,1-3H2InChIKey=XJVSKXJGMJYAAP-UHFFFAOYSA-N174.9Ex 174.88(BP est) 12.73(MP est) ----(BP exp) ----(MP exp) BrC[Si]1(O)CC1 12.7Pred
IC[Si]1(O)CC119977214.077C3H7IOSi1-(iodomethyl)siliran-1-olN136IC[Si]1(O)CC1InChI=1S/C3H7IOSi/c4-3-6(5)1-2-6/h5H,1-3H2InChIKey=NEJJWRSWSKTWPN-UHFFFAOYSA-N204.6Ex 204.63(BP est) 31.83(MP est) ----(BP exp) ----(MP exp) IC[Si]1(O)CC1 31.8Pred
NC[Si]1(F)CC119979105.187C3H8FNSi(1-fluorosiliran-1-yl)methanamineN146NC[Si]1(F)CC1InChI=1S/C3H8FNSi/c4-6(3-5)1-2-6/h1-3,5H2InChIKey=YZGHOGPPHICLBL-UHFFFAOYSA-N59.2Ex 59.18(BP est) -15.15(MP est) ----(BP exp) ----(MP exp) NC[Si]1(F)CC1 -15.2Pred
OC[Si]1(F)CC119980106.171C3H7FOSi(1-fluorosiliran-1-yl)methanolN136OC[Si]1(F)CC1InChI=1S/C3H7FOSi/c4-6(3-5)1-2-6/h5H,1-3H2InChIKey=IIDFKKYSDJKUIL-UHFFFAOYSA-N86.5Ex 86.53(BP est) -18.38(MP est) ----(BP exp) ----(MP exp) OC[Si]1(F)CC1 -18.4Pred
SC[Si]1(F)CC119981122.232C3H7FSSi(1-fluorosiliran-1-yl)methanethiolN136SC[Si]1(F)CC1InChI=1S/C3H7FSSi/c4-6(3-5)1-2-6/h5H,1-3H2InChIKey=XGUHVONWGQQAOS-UHFFFAOYSA-N79.7Ex 79.66(BP est) -32.57(MP est) ----(BP exp) ----(MP exp) SC[Si]1(F)CC1 -32.6Pred
NC[Si]1(C)CC119987101.224C4H11NSi(1-methylsiliran-1-yl)methanamineN176NC[Si]1(C)CC1InChI=1S/C4H11NSi/c1-6(4-5)2-3-6/h2-5H2,1H3InChIKey=LYJRVPNJZPHGIQ-UHFFFAOYSA-N81.8Ex 81.83(BP est) -3.20(MP est) ----(BP exp) ----(MP exp) NC[Si]1(C)CC1 -3.2Pred
OC[Si]1(C)CC119988102.208C4H10OSi(1-methylsiliran-1-yl)methanolN166OC[Si]1(C)CC1InChI=1S/C4H10OSi/c1-6(4-5)2-3-6/h5H,2-4H2,1H3InChIKey=HTGWCXLQKBAUBL-UHFFFAOYSA-N108.3Ex 108.29(BP est) -6.69(MP est) ----(BP exp) ----(MP exp) OC[Si]1(C)CC1 -6.7Pred
SC[Si]1(C)CC119989118.269C4H10SSi(1-methylsiliran-1-yl)methanethiolN166SC[Si]1(C)CC1InChI=1S/C4H10SSi/c1-6(4-5)2-3-6/h5H,2-4H2,1H3InChIKey=YGMGCAHBZQICQX-UHFFFAOYSA-N101.7Ex 101.65(BP est) -20.81(MP est) ----(BP exp) ----(MP exp) SC[Si]1(C)CC1 -20.8Pred
CC[Si]1(O)C=C119994100.192C4H8OSi1-ethyl-1H-siliren-1-olN146CC[Si]1(O)C=C1InChI=1S/C4H8OSi/c1-2-6(5)3-4-6/h3-5H,2H2,1H3InChIKey=AZJCYYAXXXQFFE-UHFFFAOYSA-N128.5Ex 128.50(BP est) -0.41(MP est) ----(BP exp) ----(MP exp) CC[Si]1(O)C=C1 -0.4Pred
NC[Si]1(O)C=C119995101.18C3H7NOSi1-(aminomethyl)-1H-siliren-1-olN136NC[Si]1(O)C=C1InChI=1S/C3H7NOSi/c4-3-6(5)1-2-6/h1-2,5H,3-4H2InChIKey=UBXBFUITADMFBS-UHFFFAOYSA-N165.1Ex 165.14(BP est) 14.52(MP est) ----(BP exp) ----(MP exp) NC[Si]1(O)C=C1 14.5Pred
OC[Si]1(O)C=C119996102.164C3H6O2Si1-(hydroxymethyl)-1H-siliren-1-olN126OC[Si]1(O)C=C1InChI=1S/C3H6O2Si/c4-3-6(5)1-2-6/h1-2,4-5H,3H2InChIKey=VHVFWDDIGNTRDF-UHFFFAOYSA-N188.0Ex 188.03(BP est) 18.94(MP est) ----(BP exp) ----(MP exp) OC[Si]1(O)C=C1 18.9Pred
SC[Si]1(O)C=C119997118.225C3H6OSSi1-(mercaptomethyl)-1H-siliren-1-olN126SC[Si]1(O)C=C1InChI=1S/C3H6OSSi/c4-6(3-5)1-2-6/h1-2,4-5H,3H2InChIKey=QZZYMWDAKOCUES-UHFFFAOYSA-N182.3Ex 182.30(BP est) 27.89(MP est) ----(BP exp) ----(MP exp) SC[Si]1(O)C=C1 27.9Pred
FC[Si]1(O)C=C119998104.155C3H5FOSi1-(fluoromethyl)-1H-siliren-1-olN116FC[Si]1(O)C=C1InChI=1S/C3H5FOSi/c4-3-6(5)1-2-6/h1-2,5H,3H2InChIKey=CTMOHFKGBHYUCA-UHFFFAOYSA-N107.5Ex 107.45(BP est) -11.90(MP est) ----(BP exp) ----(MP exp) FC[Si]1(O)C=C1 -11.9Pred
ClC[Si]1(O)C=C119999120.607C3H5ClOSi1-(chloromethyl)-1H-siliren-1-olN116ClC[Si]1(O)C=C1InChI=1S/C3H5ClOSi/c4-3-6(5)1-2-6/h1-2,5H,3H2InChIKey=NNCMTNQUTHZXPQ-UHFFFAOYSA-N165.7Ex 165.71(BP est) 19.78(MP est) ----(BP exp) ----(MP exp) ClC[Si]1(O)C=C1 19.8Pred
BrC[Si]1(O)C=C120000165.061C3H5BrOSi1-(bromomethyl)-1H-siliren-1-olN116BrC[Si]1(O)C=C1InChI=1S/C3H5BrOSi/c4-3-6(5)1-2-6/h1-2,5H,3H2InChIKey=KRCWZEQOCAEMCX-UHFFFAOYSA-N177.6Ex 177.64(BP est) 14.13(MP est) ----(BP exp) ----(MP exp) BrC[Si]1(O)C=C1 14.1Pred
IC[Si]1(O)C=C120001212.061C3H5IOSi1-(iodomethyl)-1H-siliren-1-olN116IC[Si]1(O)C=C1InChI=1S/C3H5IOSi/c4-3-6(5)1-2-6/h1-2,5H,3H2InChIKey=WUFGDTMCIWHINA-UHFFFAOYSA-N207.2Ex 207.21(BP est) 33.09(MP est) ----(BP exp) ----(MP exp) IC[Si]1(O)C=C1 33.1Pred
CC[Si]1(F)C=C120002102.183C4H7FSi1-ethyl-1-fluoro-1H-silireneN136CC[Si]1(F)C=C1InChI=1S/C4H7FSi/c1-2-6(5)3-4-6/h3-4H,2H2,1H3InChIKey=NLBOOAKCUHGCQG-UHFFFAOYSA-N19.3Ex 19.34(BP est) -62.40(MP est) ----(BP exp) ----(MP exp) CC[Si]1(F)C=C1 -62.4Pred
NC[Si]1(F)C=C120003103.171C3H6FNSi(1-fluoro-1H-siliren-1-yl)methanamineN126NC[Si]1(F)C=C1InChI=1S/C3H6FNSi/c4-6(3-5)1-2-6/h1-2H,3,5H2InChIKey=RXEQRPHWBYLRAB-UHFFFAOYSA-N62.5Ex 62.52(BP est) -13.79(MP est) ----(BP exp) ----(MP exp) NC[Si]1(F)C=C1 -13.8Pred
OC[Si]1(F)C=C120004104.155C3H5FOSi(1-fluoro-1H-siliren-1-yl)methanolN116OC[Si]1(F)C=C1InChI=1S/C3H5FOSi/c4-6(3-5)1-2-6/h1-2,5H,3H2InChIKey=RHCVRPHDDSLUSO-UHFFFAOYSA-N89.7Ex 89.74(BP est) -17.07(MP est) ----(BP exp) ----(MP exp) OC[Si]1(F)C=C1 -17.1Pred
SC[Si]1(F)C=C120005120.216C3H5FSSi(1-fluoro-1H-siliren-1-yl)methanethiolN116SC[Si]1(F)C=C1InChI=1S/C3H5FSSi/c4-6(3-5)1-2-6/h1-2,5H,3H2InChIKey=MFDTWTNBFSABKR-UHFFFAOYSA-N82.9Ex 82.91(BP est) -31.24(MP est) ----(BP exp) ----(MP exp) SC[Si]1(F)C=C1 -31.2Pred
FC[Si]1(F)C=C120006106.147C3H4F2Si1-fluoro-1-(fluoromethyl)-1H-silireneN106FC[Si]1(F)C=C1InChI=1S/C3H4F2Si/c4-3-6(5)1-2-6/h1-2H,3H2InChIKey=RCOXGDWEHDQFNP-UHFFFAOYSA-N-5.3Ex -5.29(BP est) -74.93(MP est) ----(BP exp) ----(MP exp) FC[Si]1(F)C=C1 -74.9Pred
ClC[Si]1(F)C=C120007122.598C3H4ClFSi1-(chloromethyl)-1-fluoro-1H-silireneN106ClC[Si]1(F)C=C1InChI=1S/C3H4ClFSi/c4-3-6(5)1-2-6/h1-2H,3H2InChIKey=IMRHPABGZHFXKD-UHFFFAOYSA-N63.2Ex 63.20(BP est) -40.27(MP est) ----(BP exp) ----(MP exp) ClC[Si]1(F)C=C1 -40.3Pred
BrC[Si]1(F)C=C120008167.052C3H4BrFSi1-(bromomethyl)-1-fluoro-1H-silireneN106BrC[Si]1(F)C=C1InChI=1S/C3H4BrFSi/c4-3-6(5)1-2-6/h1-2H,3H2InChIKey=QSYHXVVFYANKTG-UHFFFAOYSA-N77.4Ex 77.36(BP est) -21.19(MP est) ----(BP exp) ----(MP exp) BrC[Si]1(F)C=C1 -21.2Pred
IC[Si]1(F)C=C120009214.053C3H4FISi1-fluoro-1-(iodomethyl)-1H-silireneN106IC[Si]1(F)C=C1InChI=1S/C3H4FISi/c4-6(3-5)1-2-6/h1-2H,3H2InChIKey=JJKHQSRXCVEMBV-UHFFFAOYSA-N112.7Ex 112.72(BP est) -11.74(MP est) ----(BP exp) ----(MP exp) IC[Si]1(F)C=C1 -11.7Pred
CC[Si]1(C)C=C12001098.22C5H10Si1-ethyl-1-methyl-1H-silireneN166CC[Si]1(C)C=C1InChI=1S/C5H10Si/c1-3-6(2)4-5-6/h4-5H,3H2,1-2H3InChIKey=QQUHKAZTXGRWNU-UHFFFAOYSA-N43.2Ex 43.23(BP est) -50.08(MP est) ----(BP exp) ----(MP exp) CC[Si]1(C)C=C1 -50.1Pred
NC[Si]1(C)C=C12001199.208C4H9NSi(1-methyl-1H-siliren-1-yl)methanamineN156NC[Si]1(C)C=C1InChI=1S/C4H9NSi/c1-6(4-5)2-3-6/h2-3H,4-5H2,1H3InChIKey=QHHSKMNWVQOLTO-UHFFFAOYSA-N85.1Ex 85.06(BP est) -1.87(MP est) ----(BP exp) ----(MP exp) NC[Si]1(C)C=C1 -1.9Pred
OC[Si]1(C)C=C120012100.192C4H8OSi(1-methyl-1H-siliren-1-yl)methanolN146OC[Si]1(C)C=C1InChI=1S/C4H8OSi/c1-6(4-5)2-3-6/h2-3,5H,4H2,1H3InChIKey=HIYBFBMVJCFXNY-UHFFFAOYSA-N111.4Ex 111.40(BP est) -5.40(MP est) ----(BP exp) ----(MP exp) OC[Si]1(C)C=C1 -5.4Pred
SC[Si]1(C)C=C120013116.253C4H8SSi(1-methyl-1H-siliren-1-yl)methanethiolN146SC[Si]1(C)C=C1InChI=1S/C4H8SSi/c1-6(4-5)2-3-6/h2-3,5H,4H2,1H3InChIKey=RDALGKCYANGGDE-UHFFFAOYSA-N104.8Ex 104.79(BP est) -19.51(MP est) ----(BP exp) ----(MP exp) SC[Si]1(C)C=C1 -19.5Pred
FC[Si]1(C)C=C120014102.183C4H7FSi1-(fluoromethyl)-1-methyl-1H-silireneN136FC[Si]1(C)C=C1InChI=1S/C4H7FSi/c1-6(4-5)2-3-6/h2-3H,4H2,1H3InChIKey=LFMMKEHZAVOWOQ-UHFFFAOYSA-N19.3Ex 19.34(BP est) -62.40(MP est) ----(BP exp) ----(MP exp) FC[Si]1(C)C=C1 -62.4Pred
ClC[Si]1(C)C=C120015118.635C4H7ClSi1-(chloromethyl)-1-methyl-1H-silireneN136ClC[Si]1(C)C=C1InChI=1S/C4H7ClSi/c1-6(4-5)2-3-6/h2-3H,4H2,1H3InChIKey=VWHKBTDWHZPALP-UHFFFAOYSA-N85.7Ex 85.72(BP est) -28.35(MP est) ----(BP exp) ----(MP exp) ClC[Si]1(C)C=C1 -28.4Pred
BrC[Si]1(C)C=C120016163.089C4H7BrSi1-(bromomethyl)-1-methyl-1H-silireneN136BrC[Si]1(C)C=C1InChI=1S/C4H7BrSi/c1-6(4-5)2-3-6/h2-3H,4H2,1H3InChIKey=HPMWFIJZKGQOCI-UHFFFAOYSA-N99.4Ex 99.42(BP est) -9.41(MP est) ----(BP exp) ----(MP exp) BrC[Si]1(C)C=C1 -9.4Pred
IC[Si]1(C)C=C120017210.089C4H7ISi1-(iodomethyl)-1-methyl-1H-silireneN136IC[Si]1(C)C=C1InChI=1S/C4H7ISi/c1-6(4-5)2-3-6/h2-3H,4H2,1H3InChIKey=HBDYTQOIBHFNAU-UHFFFAOYSA-N133.6Ex 133.59(BP est) -0.30(MP est) ----(BP exp) ----(MP exp) IC[Si]1(C)C=C1 -0.3Pred
C=C[Si]1(O)C=C12002198.176C4H6OSi1-vinyl-1H-siliren-1-olN126C=C[Si]1(O)C=C1InChI=1S/C4H6OSi/c1-2-6(5)3-4-6/h2-5H,1H2InChIKey=UHICYJJDOJDMFR-UHFFFAOYSA-N126.8Ex 126.79(BP est) -1.79(MP est) ----(BP exp) ----(MP exp) C=C[Si]1(O)C=C1 -1.8Pred
C=C[Si]1(F)C=C120022100.167C4H5FSi1-fluoro-1-vinyl-1H-silireneN116C=C[Si]1(F)C=C1InChI=1S/C4H5FSi/c1-2-6(5)3-4-6/h2-4H,1H2InChIKey=OGIJSEKYZIXCIO-UHFFFAOYSA-N17.3Ex 17.33(BP est) -63.86(MP est) ----(BP exp) ----(MP exp) C=C[Si]1(F)C=C1 -63.9Pred
C=C[Si]1(C)C=C12002396.204C5H8Si1-methyl-1-vinyl-1H-silireneN146C=C[Si]1(C)C=C1InChI=1S/C5H8Si/c1-3-6(2)4-5-6/h3-5H,1H2,2H3InChIKey=RMFIJBKKJMMZMC-UHFFFAOYSA-N41.3Ex 41.28(BP est) -51.53(MP est) ----(BP exp) ----(MP exp) C=C[Si]1(C)C=C1 -51.5Pred
C#C[Si]1(O)C=C12002796.16C4H4OSi1-ethynyl-1H-siliren-1-olN106C#C[Si]1(O)C=C1InChI=1S/C4H4OSi/c1-2-6(5)3-4-6/h1,3-5HInChIKey=LZDVFNRJCIMJKE-UHFFFAOYSA-N136.5Ex 136.49(BP est) 25.41(MP est) ----(BP exp) ----(MP exp) C#C[Si]1(O)C=C1 25.4Pred
C#C[Si]1(F)C=C12002898.1514C4H3FSi1-ethynyl-1-fluoro-1H-silireneN96C#C[Si]1(F)C=C1InChI=1S/C4H3FSi/c1-2-6(5)3-4-6/h1,3-4HInChIKey=PKUVLWJYVXQAFT-UHFFFAOYSA-N28.7Ex 28.72(BP est) -36.17(MP est) ----(BP exp) ----(MP exp) C#C[Si]1(F)C=C1 -36.2Pred
C#C[Si]1(C)C=C12002994.188C5H6Si1-ethynyl-1-methyl-1H-silireneN126C#C[Si]1(C)C=C1InChI=1S/C5H6Si/c1-3-6(2)4-5-6/h1,4-5H,2H3InChIKey=WKDQEOAFPNTKLH-UHFFFAOYSA-N52.3Ex 52.33(BP est) -23.94(MP est) ----(BP exp) ----(MP exp) C#C[Si]1(C)C=C1 -23.9Pred
NC[Si](C)(C)C20030103.24C4H13NSi(trimethylsilyl)methanamineN196NC[Si](C)(C)CInChI=1S/C4H13NSi/c1-6(2,3)4-5/h4-5H2,1-3H3InChIKey=YVWPNDBYAAEZBF-UHFFFAOYSA-N93.8Ex 87.12(BP est) -54.99(MP est) ----(BP exp) ----(MP exp) NC[Si](C)(C)C -55Pred
NC[Si](O)(C)C20031105.212C3H11NOSi(aminomethyl)dimethylsilanolN176NC[Si](O)(C)CInChI=1S/C3H11NOSi/c1-6(2,5)3-4/h5H,3-4H2,1-2H3InChIKey=ZCFNUPSEYMODEH-UHFFFAOYSA-N166.9Ex 166.93(BP est) -6.92(MP est) ----(BP exp) ----(MP exp) NC[Si](O)(C)C -6.9Pred
NC[Si](O)(C)O20032107.184C2H9NO2Si(aminomethyl)(methyl)silanediolN156NC[Si](O)(C)OInChI=1S/C2H9NO2Si/c1-6(4,5)2-3/h4-5H,2-3H2,1H3InChIKey=WOKGBJWHDXZGOC-UHFFFAOYSA-N235.8Ex 235.79(BP est) 37.96(MP est) ----(BP exp) ----(MP exp) NC[Si](O)(C)O 38Pred
NC[Si](O)(O)O20033109.156CH7NO3Si(aminomethyl)silanetriolN136NC[Si](O)(O)OInChI=1S/CH7NO3Si/c2-1-6(3,4)5/h3-5H,1-2H2InChIKey=LZIDREVXFVXAEQ-UHFFFAOYSA-N293.7Ex 293.70(BP est) 72.37(MP est) ----(BP exp) ----(MP exp) NC[Si](O)(O)O 72.4Pred
NC[Si](O)(F)O20034111.147CH6FNO2Si(aminomethyl)fluorosilanediolN126NC[Si](O)(F)OInChI=1S/CH6FNO2Si/c2-6(4,5)1-3/h4-5H,1,3H2InChIKey=CNWDMRATXRFGDV-UHFFFAOYSA-N219.0Ex 218.99(BP est) 27.72(MP est) ----(BP exp) ----(MP exp) NC[Si](O)(F)O 27.7Pred
NC[Si](O)(C)F20035109.175C2H8FNOSi(aminomethyl)fluoro(methyl)silanolN146NC[Si](O)(C)FInChI=1S/C2H8FNOSi/c1-6(3,5)2-4/h5H,2,4H2,1H3InChIKey=KGSDKMSYPNCHIF-UHFFFAOYSA-N147.3Ex 147.29(BP est) -17.99(MP est) ----(BP exp) ----(MP exp) NC[Si](O)(C)F -18Pred
NC[Si](O)(F)F20036113.139CH5F2NOSi(aminomethyl)difluorosilanolN116NC[Si](O)(F)FInChI=1S/CH5F2NOSi/c2-6(3,5)1-4/h5H,1,4H2InChIKey=VSRNCCRJYXOVJR-UHFFFAOYSA-N126.9Ex 126.92(BP est) -29.28(MP est) ----(BP exp) ----(MP exp) NC[Si](O)(F)F -29.3Pred
NC[Si](F)(C)C20037107.203C3H10FNSi(fluorodimethylsilyl)methanamineN166NC[Si](F)(C)CInChI=1S/C3H10FNSi/c1-6(2,4)3-5/h3,5H2,1-2H3InChIKey=JKINODXZBIBEDJ-UHFFFAOYSA-N64.6Ex 64.64(BP est) -66.90(MP est) ----(BP exp) ----(MP exp) NC[Si](F)(C)C -66.9Pred
NC[Si](F)(C)F20038111.167C2H7F2NSi(difluoro(methyl)silyl)methanamineN136NC[Si](F)(C)FInChI=1S/C2H7F2NSi/c1-6(3,4)2-5/h2,5H2,1H3InChIKey=AUSKWFNNJMKKML-UHFFFAOYSA-N41.4Ex 41.43(BP est) -79.01(MP est) ----(BP exp) ----(MP exp) NC[Si](F)(C)F -79Pred
NC[Si](F)(F)F20039115.13CH4F3NSi(trifluorosilyl)methanamineN106NC[Si](F)(F)FInChI=1S/CH4F3NSi/c2-6(3,4)1-5/h1,5H2InChIKey=IIVCJDJKCIVFBL-UHFFFAOYSA-N17.5Ex 17.48(BP est) -91.34(MP est) ----(BP exp) ----(MP exp) NC[Si](F)(F)F -91.3Pred
OC[Si](C)(C)C20040104.224C4H12OSi(trimethylsilyl)methanolN186OC[Si](C)(C)CInChI=1S/C4H12OSi/c1-6(2,3)4-5/h5H,4H2,1-3H3InChIKey=ZQKNBDOVPOZPLY-UHFFFAOYSA-N113.4Ex 113.37(BP est) -58.55(MP est) ----(BP exp) ----(MP exp) OC[Si](C)(C)C -58.6Pred
OC[Si](O)(C)C20041106.196C3H10O2Si(hydroxymethyl)dimethylsilanolN166OC[Si](O)(C)CInChI=1S/C3H10O2Si/c1-6(2,5)3-4/h4-5H,3H2,1-2H3InChIKey=TVVSVLOHMTWJIJ-UHFFFAOYSA-N189.7Ex 189.74(BP est) -11.48(MP est) ----(BP exp) ----(MP exp) OC[Si](O)(C)C -11.5Pred
OC[Si](O)(C)O20042108.168C2H8O3Si(hydroxymethyl)(methyl)silanediolN146OC[Si](O)(C)OInChI=1S/C2H8O3Si/c1-6(4,5)2-3/h3-5H,2H2,1H3InChIKey=WDZZBNDDWHASBC-UHFFFAOYSA-N255.2Ex 255.16(BP est) 32.40(MP est) ----(BP exp) ----(MP exp) OC[Si](O)(C)O 32.4Pred
OC[Si](O)(O)O20043110.14CH6O4Si(hydroxymethyl)silanetriolN126OC[Si](O)(O)OInChI=1S/CH6O4Si/c2-1-6(3,4)5/h2-5H,1H2InChIKey=AJBXXAZBWHWHER-UHFFFAOYSA-N309.6Ex 309.64(BP est) 73.08(MP est) ----(BP exp) ----(MP exp) OC[Si](O)(O)O 73.1Pred
OC[Si](O)(F)O20044112.131CH5FO3Sifluoro(hydroxymethyl)silanediolN116OC[Si](O)(F)OInChI=1S/CH5FO3Si/c2-6(4,5)1-3/h3-5H,1H2InChIKey=AOPKNMMRMIAFCF-UHFFFAOYSA-N239.3Ex 239.26(BP est) 22.41(MP est) ----(BP exp) ----(MP exp) OC[Si](O)(F)O 22.4Pred
OC[Si](O)(C)F20045110.159C2H7FO2Sifluoro(hydroxymethyl)(methyl)silanolN136OC[Si](O)(C)FInChI=1S/C2H7FO2Si/c1-6(3,5)2-4/h4-5H,2H2,1H3InChIKey=UFBRKJSRQWKWHX-UHFFFAOYSA-N171.0Ex 170.99(BP est) -22.29(MP est) ----(BP exp) ----(MP exp) OC[Si](O)(C)F -22.3Pred
OC[Si](O)(F)F20046114.123CH4F2O2Sidifluoro(hydroxymethyl)silanolN106OC[Si](O)(F)FInChI=1S/CH4F2O2Si/c2-6(3,5)1-4/h4-5H,1H2InChIKey=PUSDWDNOMVEOQX-UHFFFAOYSA-N151.5Ex 151.51(BP est) -33.32(MP est) ----(BP exp) ----(MP exp) OC[Si](O)(F)F -33.3Pred
OC[Si](F)(C)C20047108.187C3H9FOSi(fluorodimethylsilyl)methanolN156OC[Si](F)(C)CInChI=1S/C3H9FOSi/c1-6(2,4)3-5/h5H,3H2,1-2H3InChIKey=IUJZPIVIWNFOBP-UHFFFAOYSA-N91.8Ex 91.78(BP est) -70.19(MP est) ----(BP exp) ----(MP exp) OC[Si](F)(C)C -70.2Pred
OC[Si](F)(C)F20048112.151C2H6F2OSi(difluoro(methyl)silyl)methanolN126OC[Si](F)(C)FInChI=1S/C2H6F2OSi/c1-6(3,4)2-5/h5H,2H2,1H3InChIKey=WXGQTPATEIPVHT-UHFFFAOYSA-N69.5Ex 69.46(BP est) -82.05(MP est) ----(BP exp) ----(MP exp) OC[Si](F)(C)F -82.1Pred
OC[Si](F)(F)F20049116.114CH3F3OSi(trifluorosilyl)methanolN96OC[Si](F)(F)FInChI=1S/CH3F3OSi/c2-6(3,4)1-5/h5H,1H2InChIKey=HYORIKZQHUPINX-UHFFFAOYSA-N46.4Ex 46.41(BP est) -94.12(MP est) ----(BP exp) ----(MP exp) OC[Si](F)(F)F -94.1Pred
SC[Si](C)(C)C20050120.285C4H12SSi(trimethylsilyl)methanethiolN186SC[Si](C)(C)CInChI=1S/C4H12SSi/c1-6(2,3)4-5/h5H,4H2,1-3H3InChIKey=IIYTXTQVIDHSSL-UHFFFAOYSA-N120.0Ex 106.78(BP est) -72.65(MP est) ----(BP exp) ----(MP exp) SC[Si](C)(C)C -72.7Pred
SC[Si](O)(C)C20051122.257C3H10OSSi(mercaptomethyl)dimethylsilanolN166SC[Si](O)(C)CInChI=1S/C3H10OSSi/c1-6(2,4)3-5/h4-5H,3H2,1-2H3InChIKey=YDOREPFKIVIRJB-UHFFFAOYSA-N184.0Ex 184.03(BP est) -25.33(MP est) ----(BP exp) ----(MP exp) SC[Si](O)(C)C -25.3Pred
SC[Si](O)(C)O20052124.229C2H8O2SSi(mercaptomethyl)(methyl)silanediolN146SC[Si](O)(C)OInChI=1S/C2H8O2SSi/c1-6(3,4)2-5/h3-5H,2H2,1H3InChIKey=XJMCOLSSIFMCOX-UHFFFAOYSA-N250.3Ex 250.33(BP est) 18.80(MP est) ----(BP exp) ----(MP exp) SC[Si](O)(C)O 18.8Pred
SC[Si](O)(O)O20053126.201CH6O3SSi(mercaptomethyl)silanetriolN126SC[Si](O)(O)OInChI=1S/CH6O3SSi/c2-6(3,4)1-5/h2-5H,1H2InChIKey=RMUXKCCEWDTGNE-UHFFFAOYSA-N305.7Ex 305.68(BP est) 59.74(MP est) ----(BP exp) ----(MP exp) SC[Si](O)(O)O 59.7Pred
SC[Si](O)(F)O20054128.192CH5FO2SSifluoro(mercaptomethyl)silanediolN116SC[Si](O)(F)OInChI=1S/CH5FO2SSi/c2-6(3,4)1-5/h3-5H,1H2InChIKey=GDUKGSRFMMGDHB-UHFFFAOYSA-N234.2Ex 234.19(BP est) 8.75(MP est) ----(BP exp) ----(MP exp) SC[Si](O)(F)O 8.8Pred
SC[Si](O)(C)F20055126.22C2H7FOSSifluoro(mercaptomethyl)(methyl)silanolN136SC[Si](O)(C)FInChI=1S/C2H7FOSSi/c1-6(3,4)2-5/h4-5H,2H2,1H3InChIKey=GLQFEPALBOWUDC-UHFFFAOYSA-N165.1Ex 165.05(BP est) -36.21(MP est) ----(BP exp) ----(MP exp) SC[Si](O)(C)F -36.2Pred
SC[Si](O)(F)F20056130.184CH4F2OSSidifluoro(mercaptomethyl)silanolN106SC[Si](O)(F)FInChI=1S/CH4F2OSSi/c2-6(3,4)1-5/h4-5H,1H2InChIKey=AZWPSXJOVXZDMZ-UHFFFAOYSA-N145.4Ex 145.35(BP est) -47.30(MP est) ----(BP exp) ----(MP exp) SC[Si](O)(F)F -47.3Pred
SC[Si](F)(C)C20057124.248C3H9FSSi(fluorodimethylsilyl)methanethiolN156SC[Si](F)(C)CInChI=1S/C3H9FSSi/c1-6(2,4)3-5/h5H,3H2,1-2H3InChIKey=CKLVRYULCFQZNL-UHFFFAOYSA-N85.0Ex 84.97(BP est) -84.36(MP est) ----(BP exp) ----(MP exp) SC[Si](F)(C)C -84.4Pred
SC[Si](F)(C)F20058128.212C2H6F2SSi(difluoro(methyl)silyl)methanethiolN126SC[Si](F)(C)FInChI=1S/C2H6F2SSi/c1-6(3,4)2-5/h5H,2H2,1H3InChIKey=FBEJCUYHFUNNPS-UHFFFAOYSA-N62.4Ex 62.42(BP est) -96.28(MP est) ----(BP exp) ----(MP exp) SC[Si](F)(C)F -96.3Pred
SC[Si](F)(F)F20059132.175CH3F3SSi(trifluorosilyl)methanethiolN96SC[Si](F)(F)FInChI=1S/CH3F3SSi/c2-6(3,4)1-5/h5H,1H2InChIKey=ANHCBEWMLCUPJN-UHFFFAOYSA-N39.1Ex 39.14(BP est) -108.42(MP est) ----(BP exp) ----(MP exp) SC[Si](F)(F)F -108.4Pred
FC[Si](O)(C)O20062110.159C2H7FO2Si(fluoromethyl)(methyl)silanediolN136FC[Si](O)(C)OInChI=1S/C2H7FO2Si/c1-6(4,5)2-3/h4-5H,2H2,1H3InChIKey=YOTHRLMJUONTLQ-UHFFFAOYSA-N186.3Ex 186.33(BP est) -17.81(MP est) ----(BP exp) ----(MP exp) FC[Si](O)(C)O -17.8Pred
FC[Si](O)(O)O20063112.131CH5FO3Si(fluoromethyl)silanetriolN116FC[Si](O)(O)OInChI=1S/CH5FO3Si/c2-1-6(3,4)5/h3-5H,1H2InChIKey=JIBQDIMBYJMVCM-UHFFFAOYSA-N252.3Ex 252.28(BP est) 26.21(MP est) ----(BP exp) ----(MP exp) FC[Si](O)(O)O 26.2Pred
ClC[Si](O)(C)O20072126.611C2H7ClO2Si(chloromethyl)(methyl)silanediolN136ClC[Si](O)(C)OInChI=1S/C2H7ClO2Si/c1-6(4,5)2-3/h4-5H,2H2,1H3InChIKey=CRNRVNIWYYKELD-UHFFFAOYSA-N236.3Ex 236.28(BP est) 11.43(MP est) ----(BP exp) ----(MP exp) ClC[Si](O)(C)O 11.4Pred
ClC[Si](O)(O)O20073128.583CH5ClO3Si(chloromethyl)silanetriolN116ClC[Si](O)(O)OInChI=1S/CH5ClO3Si/c2-1-6(3,4)5/h3-5H,1H2InChIKey=FGCRPGMPRPUCPQ-UHFFFAOYSA-N294.1Ex 294.11(BP est) 53.09(MP est) ----(BP exp) ----(MP exp) ClC[Si](O)(O)O 53.1Pred
ClC[Si](O)(F)O20074130.574CH4ClFO2Si(chloromethyl)fluorosilanediolN106ClC[Si](O)(F)OInChI=1S/CH4ClFO2Si/c2-1-6(3,4)5/h4-5H,1H2InChIKey=LAFGHMUVJFOCSK-UHFFFAOYSA-N219.5Ex 219.50(BP est) 1.19(MP est) ----(BP exp) ----(MP exp) ClC[Si](O)(F)O 1.2Pred
BrC[Si](O)(C)C20081169.093C3H9BrOSi(bromomethyl)dimethylsilanolN156BrC[Si](O)(C)CInChI=1S/C3H9BrOSi/c1-6(2,5)3-4/h5H,3H2,1-2H3InChIKey=ADBWXBABTGQLNR-UHFFFAOYSA-N179.4Ex 179.38(BP est) -15.01(MP est) ----(BP exp) ----(MP exp) BrC[Si](O)(C)C -15Pred
BrC[Si](O)(C)O20082171.065C2H7BrO2Si(bromomethyl)(methyl)silanediolN136BrC[Si](O)(C)OInChI=1S/C2H7BrO2Si/c1-6(4,5)2-3/h4-5H,2H2,1H3InChIKey=RXBHTOHVXISCAP-UHFFFAOYSA-N246.4Ex 246.39(BP est) 29.32(MP est) ----(BP exp) ----(MP exp) BrC[Si](O)(C)O 29.3Pred
BrC[Si](O)(O)O20083173.037CH5BrO3Si(bromomethyl)silanetriolN116BrC[Si](O)(O)OInChI=1S/CH5BrO3Si/c2-1-6(3,4)5/h3-5H,1H2InChIKey=RGCASFRILMIUCY-UHFFFAOYSA-N302.4Ex 302.44(BP est) 70.46(MP est) ----(BP exp) ----(MP exp) BrC[Si](O)(O)O 70.5Pred
BrC[Si](O)(F)O20084175.028CH4BrFO2Si(bromomethyl)fluorosilanediolN106BrC[Si](O)(F)OInChI=1S/CH4BrFO2Si/c2-1-6(3,4)5/h4-5H,1H2InChIKey=ZZEPEVOANFHUBD-UHFFFAOYSA-N230.1Ex 230.07(BP est) 19.22(MP est) ----(BP exp) ----(MP exp) BrC[Si](O)(F)O 19.2Pred
IC[Si](O)(C)C20091216.093C3H9IOSi(iodomethyl)dimethylsilanolN156IC[Si](O)(C)CInChI=1S/C3H9IOSi/c1-6(2,5)3-4/h5H,3H2,1-2H3InChIKey=GJVFZCQYZYFBOY-UHFFFAOYSA-N208.9Ex 208.85(BP est) -7.28(MP est) ----(BP exp) ----(MP exp) IC[Si](O)(C)C -7.3Pred
IC[Si](O)(C)O20092218.065C2H7IO2Si(iodomethyl)(methyl)silanediolN136IC[Si](O)(C)OInChI=1S/C2H7IO2Si/c1-6(4,5)2-3/h4-5H,2H2,1H3InChIKey=WEVQBWHYZZWUEE-UHFFFAOYSA-N271.3Ex 271.26(BP est) 35.71(MP est) ----(BP exp) ----(MP exp) IC[Si](O)(C)O 35.7Pred
IC[Si](O)(O)O20093220.037CH5IO3Si(iodomethyl)silanetriolN116IC[Si](O)(O)OInChI=1S/CH5IO3Si/c2-1-6(3,4)5/h3-5H,1H2InChIKey=XZELXIZPMOWMMK-UHFFFAOYSA-N322.7Ex 322.72(BP est) 75.51(MP est) ----(BP exp) ----(MP exp) IC[Si](O)(O)O 75.5Pred
IC[Si](O)(F)O20094222.029CH4FIO2Sifluoro(iodomethyl)silanediolN106IC[Si](O)(F)OInChI=1S/CH4FIO2Si/c2-6(4,5)1-3/h4-5H,1H2InChIKey=OPJPMMHAFLQXGC-UHFFFAOYSA-N256.1Ex 256.13(BP est) 25.96(MP est) ----(BP exp) ----(MP exp) IC[Si](O)(F)O 26Pred
IC[Si](O)(C)F20095220.057C2H6FIOSifluoro(iodomethyl)(methyl)silanolN126IC[Si](O)(C)FInChI=1S/C2H6FIOSi/c1-6(3,5)2-4/h5H,2H2,1H3InChIKey=AHOXGOLJSDRQTE-UHFFFAOYSA-N190.9Ex 190.88(BP est) -17.87(MP est) ----(BP exp) ----(MP exp) IC[Si](O)(C)F -17.9Pred
CC[Si](O)(C)O20102106.196C3H10O2Siethyl(methyl)silanediolN166CC[Si](O)(C)OInChI=1S/C3H10O2Si/c1-3-6(2,4)5/h4-5H,3H2,1-2H3InChIKey=ZSDVIKZKUVYUAO-UHFFFAOYSA-N204.5Ex 204.48(BP est) -7.18(MP est) ----(BP exp) ----(MP exp) CC[Si](O)(C)O -7.2Pred
CC[Si](O)(O)O20103108.168C2H8O3SiethylsilanetriolN146CC[Si](O)(O)OInChI=1S/C2H8O3Si/c1-2-6(3,4)5/h3-5H,2H2,1H3InChIKey=KEYRRLATNFZVGW-UHFFFAOYSA-N267.6Ex 267.59(BP est) 36.02(MP est) ----(BP exp) ----(MP exp) CC[Si](O)(O)O 36Pred
CC[Si](O)(F)O20104110.159C2H7FO2SiethylfluorosilanediolN136CC[Si](O)(F)OInChI=1S/C2H7FO2Si/c1-2-6(3,4)5/h4-5H,2H2,1H3InChIKey=QSFMCKJVVMJUGF-UHFFFAOYSA-N186.3Ex 186.33(BP est) -17.81(MP est) ----(BP exp) ----(MP exp) CC[Si](O)(F)O -17.8Pred
C=C[Si](O)(C)O20112104.18C3H8O2Simethyl(vinyl)silanediolN146C=C[Si](O)(C)OInChI=1S/C3H8O2Si/c1-3-6(2,4)5/h3-5H,1H2,2H3InChIKey=JMTARFYECDNZGS-UHFFFAOYSA-N203.0Ex 203.00(BP est) -8.49(MP est) ----(BP exp) ----(MP exp) C=C[Si](O)(C)O -8.5Pred
C=C[Si](O)(O)O20113106.152C2H6O3SivinylsilanetriolN126C=C[Si](O)(O)OInChI=1S/C2H6O3Si/c1-2-6(3,4)5/h2-5H,1H2InChIKey=JDDPGRVMAVYUOZ-UHFFFAOYSA-N266.4Ex 266.35(BP est) 34.78(MP est) ----(BP exp) ----(MP exp) C=C[Si](O)(O)O 34.8Pred
C=C[Si](O)(F)O20114108.143C2H5FO2Sifluoro(vinyl)silanediolN116C=C[Si](O)(F)OInChI=1S/C2H5FO2Si/c1-2-6(3,4)5/h2,4-5H,1H2InChIKey=FXQGBQJPYUCGPC-UHFFFAOYSA-N184.8Ex 184.79(BP est) -19.14(MP est) ----(BP exp) ----(MP exp) C=C[Si](O)(F)O -19.1Pred
C#C[Si](O)(C)O20122102.164C3H6O2Siethynyl(methyl)silanediolN126C#C[Si](O)(C)OInChI=1S/C3H6O2Si/c1-3-6(2,4)5/h1,4-5H,2H3InChIKey=KAQUPUSHXAFNPZ-UHFFFAOYSA-N211.3Ex 211.34(BP est) 18.31(MP est) ----(BP exp) ----(MP exp) C#C[Si](O)(C)O 18.3Pred
C#C[Si](O)(O)O20123104.136C2H4O3SiethynylsilanetriolN106C#C[Si](O)(O)OInChI=1S/C2H4O3Si/c1-2-6(3,4)5/h1,3-5HInChIKey=ZBOPLGQMRLVUDQ-UHFFFAOYSA-N273.3Ex 273.34(BP est) 61.19(MP est) ----(BP exp) ----(MP exp) C#C[Si](O)(O)O 61.2Pred
C#C[Si](O)(F)O20124106.127C2H3FO2SiethynylfluorosilanediolN96C#C[Si](O)(F)OInChI=1S/C2H3FO2Si/c1-2-6(3,4)5/h1,4-5HInChIKey=KPTBRBQYZRVROS-UHFFFAOYSA-N193.5Ex 193.48(BP est) 7.76(MP est) ----(BP exp) ----(MP exp) C#C[Si](O)(F)O 7.8Pred
O=S(O)(F)=O20125100.0634032FHO3Ssulfurofluoridic acidN65O=S(O)(F)=OInChI=1S/FHO3S/c1-5(2,3)4/h(H,2,3,4)InChIKey=UQSQSQZYBQSBJZ-UHFFFAOYSA-N161.0Ex 573.04(BP est) 242.35(MP est) ----(BP exp) ----(MP exp) O=S(O)(F)=O 242.4Pred
O=S(F)(F)=O20126102.0548064F2O2Ssulfuryl difluorideN55O=S(F)(F)=OInChI=1S/F2O2S/c1-5(2,3)4InChIKey=OBTWBSRJZRCYQV-UHFFFAOYSA-N-55.4Ex 522.19(BP est) 206.55(MP est) -55.38(BP exp) -135.82(MP exp) O=S(F)(F)=O -135.8Expt
N#CCl2012761.468CClNcyanic chlorideN33N#CClInChI=1S/CClN/c2-1-3InChIKey=QPJDMGCKMHUXFD-UHFFFAOYSA-N12.0Ex 84.25(BP est) -70.84(MP est) ----(BP exp) ----(MP exp) N#CCl -70.8Pred
O=S(F)(F)(F)F20128124.0526128F4OSUnable to generate valueN66O=S(F)(F)(F)FInChI=1S/F4OS/c1-6(2,3,4)5InChIKey=DUGWRBKBGKTKOX-UHFFFAOYSA-N-32.0Ex 514.13(BP est) 186.38(MP est) ----(BP exp) ----(MP exp) O=S(F)(F)(F)F 186.4Pred
BrC1=CC=CS120129163.032C4H3BrS2-bromothiopheneN96BrC1=CC=CS1InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3HInChIKey=TUCRZHGAIRVWTI-UHFFFAOYSA-N150.5Ex 172.93(BP est) 7.71(MP est) 150.00(BP exp) ----(MP exp) BrC1=CC=CS1 7.7Pred
[C-]#[N+]C(F)(F)F2013095.0242096C2F3Ntrifluoro(isocyano)methaneN66C#NC(F)(F)FInChI=1S/C2F3N/c1-6-2(3,4)5InChIKey=LKHQVUSYAMWNQZ-UHFFFAOYSA-N-80.0Ex -83.45(BP est) -156.98(MP est) ----(BP exp) ----(MP exp) C#NC(F)(F)F -157Pred
FN=C(F)F2013183.0132096CF3Nfluorocarbonimidic difluorideN55FN=C(F)FInChI=1S/CF3N/c2-1(3)5-4InChIKey=YUWNYCDUOYZSAT-UHFFFAOYSA-N-60.0Ex -22.67(BP est) -156.88(MP est) ----(BP exp) ----(MP exp) FN=C(F)F -156.9Pred
FSSF20132102.1168064F2S2hypofluorous dithioperoxyanhydrideN44FSSFInChI=1S/F2S2/c1-3-4-2InChIKey=DKDSFVCSLPKNPV-UHFFFAOYSA-N-10.6Ex 506.50(BP est) 184.33(MP est) ----(BP exp) ----(MP exp) FSSF 184.3Pred
CC(S)=O2013376.113C2H4OSethanethioic S-acidN84CC(S)=OInChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)InChIKey=DUYAAUVXQSMXQP-UHFFFAOYSA-N92.5Ex 106.22(BP est) -63.06(MP est) 93.00(BP exp) ----(MP exp) CC(S)=O -63.1Pred
C=C=C(F)F2013476.0458064C3H2F21,1-difluoropropa-1,2-dieneN75C=C=C(F)FInChI=1S/C3H2F2/c1-2-3(4)5/h1H2InChIKey=WKKSFZGDAZPYQO-UHFFFAOYSA-N-21.0Ex -9.77(BP est) -138.49(MP est) ----(BP exp) ----(MP exp) C=C=C(F)F -138.5Pred
FC(F)=S2013582.0678064CF2Scarbonothioic difluorideN44FC(F)=SInChI=1S/CF2S/c2-1(3)4InChIKey=FOCAHLGSDWHSAH-UHFFFAOYSA-N-62.6Ex 35.03(BP est) -92.71(MP est) ----(BP exp) ----(MP exp) FC(F)=S -92.7Pred
O=S(F)F2013686.0558064F2OSsulfurous difluorideN44O=S(F)FInChI=1S/F2OS/c1-4(2)3InChIKey=LSJNBGSOIVSBBR-UHFFFAOYSA-N-43.8Ex 514.00(BP est) 202.12(MP est) -43.80(BP exp) -129.50(MP exp) O=S(F)F -129.5Expt
BrC1=CSC=C120137163.032C4H3BrS3-bromothiopheneN96BrC1=CSC=C1InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3HInChIKey=XCMISAPCWHTVNG-UHFFFAOYSA-N150.0Ex 172.93(BP est) 7.71(MP est) 150.00(BP exp) ----(MP exp) BrC1=CSC=C1 7.7Pred
CB(C)C2013855.915C3H9BtrimethylboraneY134CB(C)CInChI=1S/C3H9B/c1-4(2)3/h1-3H3InChIKey=WXRGABKACDFXMG-UHFFFAOYSA-N-20.2Ex -9.18(BP est) -139.99(MP est) -20.20(BP exp) -161.50(MP exp) CB(C)C -161.5Expt
N=C=O2013943.025CHNOisocyanic acidN43N=C=OInChI=1S/CHNO/c2-1-3/h2HInChIKey=OWIKHYCFFJSOEH-UHFFFAOYSA-N17.6Ex 17.63(BP est) -82.08(MP est) ----(BP exp) ----(MP exp) N=C=O -82.1Pred
CC(C)=NN2014072.111C3H8N2propan-2-ylidenehydrazineN135CC(C)=NNInChI=1S/C3H8N2/c1-3(2)5-4/h4H2,1-2H3InChIKey=JIQXKYSNGXUDJU-UHFFFAOYSA-N91.9Ex 91.93(BP est) -71.41(MP est) ----(BP exp) ----(MP exp) CC(C)=NN -71.4Pred
CC(Cl)=CCO20141106.549C4H7ClO3-chlorobut-2-en-1-olN136CC(Cl)=CCOInChI=1S/C4H7ClO/c1-4(5)2-3-6/h2,6H,3H2,1H3InChIKey=SRQGZQPUPABHCN-UHFFFAOYSA-N148.9Ex 148.90(BP est) -46.67(MP est) ----(BP exp) ----(MP exp) CC(Cl)=CCO -46.7Pred
C=CCS(C)=O20142104.167C4H8OS3-(methylsulfinyl)prop-1-eneN146C=CCS(C)=OInChI=1S/C4H8OS/c1-3-4-6(2)5/h3H,1,4H2,2H3InChIKey=JWWFEYMQBBFIRT-UHFFFAOYSA-N171.1Ex 171.09(BP est) -26.92(MP est) ----(BP exp) ----(MP exp) C=CCS(C)=O -26.9Pred
C1=CNN=N12014369.067C2H3N31H-1,2,3-triazoleN85C1=CNN=N1InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)InChIKey=QWENRTYMTSOGBR-UHFFFAOYSA-N204.0Ex 189.63(BP est) 21.64(MP est) 204.00(BP exp) 23.00(MP exp) C1=CNN=N1 23Expt
CC(C)(C=S)C20144102.195C5H10S2,2-dimethylpropanethialN166CC(C)(C=S)CInChI=1S/C5H10S/c1-5(2,3)4-6/h4H,1-3H3InChIKey=ANQHWGYYOWWJRU-UHFFFAOYSA-N26.2Ex 26.20(BP est) -104.58(MP est) ----(BP exp) ----(MP exp) CC(C)(C=S)C -104.6Pred
CC(CC#N)S20145101.167C4H7NS3-mercaptobutanenitrileN136CC(CC#N)SInChI=1S/C4H7NS/c1-4(6)2-3-5/h4,6H,2H2,1H3InChIKey=LXSDLCXVWATQIZ-UHFFFAOYSA-N183.0Ex 183.04(BP est) -29.33(MP est) ----(BP exp) ----(MP exp) CC(CC#N)S -29.3Pred
SC1=NC=NN120146101.127C2H3N3S1H-1,2,4-triazole-5-thiolN96SC1=NC=NN1InChI=1S/C2H3N3S/c6-2-3-1-4-5-2/h1H,(H2,3,4,5,6)InChIKey=AFBBKYQYNPNMAT-UHFFFAOYSA-N251.8Ex 251.80(BP est) 54.97(MP est) ----(BP exp) ----(MP exp) SC1=NC=NN1 55Pred
CC(N(F)F)=O2014795.0488C2H3F2NON,N-difluoroacetamideN96CC(N(F)F)=OInChI=1S/C2H3F2NO/c1-2(6)5(3)4/h1H3InChIKey=HYANWYAFOHHLTB-UHFFFAOYSA-N96.1Ex 96.11(BP est) -51.43(MP est) ----(BP exp) ----(MP exp) CC(N(F)F)=O -51.4Pred
BrC1=CSC=C120148163.032C4H3BrS3-bromothiopheneN96BrC1=CSC=C1InChI=1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3HInChIKey=XCMISAPCWHTVNG-UHFFFAOYSA-N150.0Ex 172.93(BP est) 7.71(MP est) 150.00(BP exp) ----(MP exp) BrC1=CSC=C1 7.7Pred
N#CC(Cl)(Cl)F20149127.927C2Cl2FN2,2-dichloro-2-fluoroacetonitrileN66N#CC(Cl)(Cl)FInChI=1S/C2Cl2FN/c3-2(4,5)1-6InChIKey=IUHXUTRMGQCBPC-UHFFFAOYSA-N33.0Ex 126.53(BP est) -36.40(MP est) 33.00(BP exp) -110.00(MP exp) N#CC(Cl)(Cl)F -110Expt
CCC(SC)=S20150120.228C4H8S2methyl propanedithioateN146CCC(SC)=SInChI=1S/C4H8S2/c1-3-4(5)6-2/h3H2,1-2H3InChIKey=WOADZFCEIJDRAS-UHFFFAOYSA-N170.0Ex 169.96(BP est) -19.81(MP est) ----(BP exp) ----(MP exp) CCC(SC)=S -19.8Pred
S=C1OC=CN120151101.123C3H3NOSoxazole-2(3H)-thioneN96S=C1OC=CN1InChI=1S/C3H3NOS/c6-3-4-1-2-5-3/h1-2H,(H,4,6)InChIKey=CLEJZSNZYFJMKD-UHFFFAOYSA-N242.6Ex 242.61(BP est) 45.39(MP est) ----(BP exp) ----(MP exp) S=C1OC=CN1 45.4Pred
CCSC=O2015290.14C3H6OSS-ethyl methanethioateN115CCSC=OInChI=1S/C3H6OS/c1-2-5-3-4/h3H,2H2,1H3InChIKey=STSBSFZTOFGGKP-UHFFFAOYSA-N129.1Ex 129.14(BP est) -55.72(MP est) ----(BP exp) ----(MP exp) CCSC=O -55.7Pred
CSC(S)C20153108.217C3H8S21-(methylthio)ethane-1-thiolN135CSC(S)CInChI=1S/C3H8S2/c1-3(4)5-2/h3-4H,1-2H3InChIKey=GHIADNFHCKUPJL-UHFFFAOYSA-N136.6Ex 136.61(BP est) -63.81(MP est) ----(BP exp) ----(MP exp) CSC(S)C -63.8Pred
COS(C)=O2015494.128C2H6O2Smethyl methanesulfinateN115COS(C)=OInChI=1S/C2H6O2S/c1-4-5(2)3/h1-2H3InChIKey=UJXJECMZMLSTEB-UHFFFAOYSA-N152.0Ex 151.95(BP est) -31.78(MP est) ----(BP exp) ----(MP exp) COS(C)=O -31.8Pred
O=S1OCCC120155106.139C3H6O2S1,2-oxathiolane 2-oxideN126O=S1OCCC1InChI=1S/C3H6O2S/c4-6-3-1-2-5-6/h1-3H2InChIKey=YGHWXJJKYJXSAY-UHFFFAOYSA-N189.7Ex 189.71(BP est) -3.62(MP est) ----(BP exp) ----(MP exp) O=S1OCCC1 -3.6Pred
CNC(SC)=O20156105.155C3H7NOSS-methyl methylcarbamothioateN136CNC(SC)=OInChI=1S/C3H7NOS/c1-4-3(5)6-2/h1-2H3,(H,4,5)InChIKey=YUWWOMKVPZHPQI-UHFFFAOYSA-N246.0Ex 246.04(BP est) 52.85(MP est) ----(BP exp) ----(MP exp) CNC(SC)=O 52.9Pred
BrC1=CC=CS120157163.032C4H3BrS2-bromothiopheneN96BrC1=CC=CS1InChI=1S/C4H3BrS/c5-4-2-1-3-6-4/h1-3HInChIKey=TUCRZHGAIRVWTI-UHFFFAOYSA-N150.5Ex 172.93(BP est) 7.71(MP est) 150.00(BP exp) ----(MP exp) BrC1=CC=CS1 7.7Pred
S=C1OCCO120158104.123C3H4O2S1,3-dioxolane-2-thioneN106S=C1OCCO1InChI=1S/C3H4O2S/c6-3-4-1-2-5-3/h1-2H2InChIKey=NLLOEPZYASPYON-UHFFFAOYSA-N215.3Ex 215.29(BP est) 6.49(MP est) ----(BP exp) ----(MP exp) S=C1OCCO1 6.5Pred
CC(S(O)=O)C20159108.155C3H8O2Spropane-2-sulfinic acidN146CC(S(O)=O)CInChI=1S/C3H8O2S/c1-3(2)6(4)5/h3H,1-2H3,(H,4,5)InChIKey=AQAAVCJTEANSGJ-UHFFFAOYSA-N229.7Ex 229.68(BP est) 8.34(MP est) ----(BP exp) ----(MP exp) CC(S(O)=O)C 8.3Pred
SC1=NCCO120160103.139C3H5NOS4,5-dihydrooxazole-2-thiolN116SC1=NCCO1InChI=1S/C3H5NOS/c6-3-4-1-2-5-3/h1-2H2,(H,4,6)InChIKey=UMURLIQHQSKULR-UHFFFAOYSA-N166.0Ex 166.00(BP est) -1.67(MP est) ----(BP exp) ----(MP exp) SC1=NCCO1 -1.7Pred
CC(CCS)N20161105.199C4H11NS3-aminobutane-1-thiolN176CC(CCS)NInChI=1S/C4H11NS/c1-4(5)2-3-6/h4,6H,2-3,5H2,1H3InChIKey=KCPUMYOVLREZFJ-UHFFFAOYSA-N154.1Ex 154.08(BP est) -28.65(MP est) ----(BP exp) ----(MP exp) CC(CCS)N -28.7Pred
C=C([N+]([O-])=O)C2016287.078C3H5NO22-nitroprop-1-eneN116C=C([N+]([O-])=O)CInChI=1S/C3H5NO2/c1-3(2)4(5)6/h1H2,2H3InChIKey=GXEXLSDIVMVEFZ-UHFFFAOYSA-N107.0Ex 106.97(BP est) -36.45(MP est) ----(BP exp) ----(MP exp) C=C([N+]([O-])=O)C -36.5Pred
FC1=CC=CS120163102.126C4H3FS2-fluorothiopheneN96FC1=CC=CS1InChI=1S/C4H3FS/c5-4-2-1-3-6-4/h1-3HInChIKey=DXHCHIJMMKQRKR-UHFFFAOYSA-N108.5Ex 108.49(BP est) -40.71(MP est) ----(BP exp) ----(MP exp) FC1=CC=CS1 -40.7Pred
O=CC(Br)(Br)Br20164280.741C2HBr3O2,2,2-tribromoacetaldehydeN76O=CC(Br)(Br)BrInChI=1S/C2HBr3O/c3-2(4,5)1-6/h1HInChIKey=YTGSYRVSBPFKMQ-UHFFFAOYSA-N173.5Ex 229.78(BP est) 34.66(MP est) 174.00(BP exp) -57.50(MP exp) O=CC(Br)(Br)Br -57.5Expt
CCOC=S2016590.14C3H6OSO-ethyl methanethioateN115CCOC=SInChI=1S/C3H6OS/c1-2-4-3-5/h3H,2H2,1H3InChIKey=VVWNENUJKRQDTB-UHFFFAOYSA-N27.2Ex 27.21(BP est) -105.65(MP est) ----(BP exp) ----(MP exp) CCOC=S -105.7Pred
CCS(C)=O2016692.156C3H8OS(methylsulfinyl)ethaneN135CCS(C)=OInChI=1S/C3H8OS/c1-3-5(2)4/h3H2,1-2H3InChIKey=VTRRCXRVEQTTOE-UHFFFAOYSA-N151.1Ex 151.10(BP est) -37.51(MP est) ----(BP exp) ----(MP exp) CCS(C)=O -37.5Pred
NC1=NNC=N12016784.082C2H4N41H-1,2,4-triazol-3-amineN106NC1=NNC=N1InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)InChIKey=KLSJWNVTNUYHDU-UHFFFAOYSA-N200.0Ex 258.30(BP est) 69.52(MP est) ----(BP exp) 159.00(MP exp) NC1=NNC=N1 159Expt
BrC1=CNC=C120168145.987C4H4BrN3-bromo-1H-pyrroleN106BrC1=CNC=C1InChI=1S/C4H4BrN/c5-4-1-2-6-3-4/h1-3,6HInChIKey=ZZHFDFIWLDELCX-UHFFFAOYSA-N184.0Ex 184.02(BP est) 8.19(MP est) ----(BP exp) ----(MP exp) BrC1=CNC=C1 8.2Pred
OCC1SC12016990.14C3H6OSthiiran-2-ylmethanolN115OCC1SC1InChI=1S/C3H6OS/c4-1-3-2-5-3/h3-4H,1-2H2InChIKey=RFTGJEJQDSTVSI-UHFFFAOYSA-N157.5Ex 157.52(BP est) -7.53(MP est) ----(BP exp) ----(MP exp) OCC1SC1 -7.5Pred
C=C=O2017042.037C2H2OethenoneN53C=C=OInChI=1S/C2H2O/c1-2-3/h1H2InChIKey=CCGKOQOJPYTBIH-UHFFFAOYSA-N-53.0Ex -50.16(BP est) -139.04(MP est) -49.80(BP exp) -151.00(MP exp) C=C=O -151Expt
IC1=CN=CS120171211.02C3H2INS5-iodothiazoleN86IC1=CN=CS1InChI=1S/C3H2INS/c4-3-1-5-2-6-3/h1-2HInChIKey=URZGBDKEHYGOJX-UHFFFAOYSA-N214.1Ex 214.12(BP est) 36.45(MP est) ----(BP exp) ----(MP exp) IC1=CN=CS1 36.5Pred
CC(S)=O2017276.113C2H4OSethanethioic S-acidN84CC(S)=OInChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)InChIKey=DUYAAUVXQSMXQP-UHFFFAOYSA-N92.5Ex 106.22(BP est) -63.06(MP est) 93.00(BP exp) ----(MP exp) CC(S)=O -63.1Pred
CC(OC=O)=O2017388.062C3H4O3acetic formic anhydrideN106CC(OC=O)=OInChI=1S/C3H4O3/c1-3(5)6-2-4/h2H,1H3InChIKey=ORWKVZNEPHTCQE-UHFFFAOYSA-N28.9Ex 28.88(BP est) -99.48(MP est) ----(BP exp) ----(MP exp) CC(OC=O)=O -99.5Pred
O=C1C(O)CC12017486.09C4H6O22-hydroxycyclobutan-1-oneN126O=C1C(O)CC1InChI=1S/C4H6O2/c5-3-1-2-4(3)6/h3,5H,1-2H2InChIKey=IGFPZGGCJLBVEJ-UHFFFAOYSA-N175.3Ex 175.30(BP est) -3.08(MP est) ----(BP exp) ----(MP exp) O=C1C(O)CC1 -3.1Pred
CC(CO)=CCl20175106.549C4H7ClO3-chloro-2-methylprop-2-en-1-olN136CC(CO)=CClInChI=1S/C4H7ClO/c1-4(2-5)3-6/h2,6H,3H2,1H3InChIKey=HIAHUGCGQSZTQU-UHFFFAOYSA-N148.9Ex 148.90(BP est) -46.67(MP est) ----(BP exp) ----(MP exp) CC(CO)=CCl -46.7Pred
N#CC(CBr)=O20176147.959C3H2BrNO2-bromoacetyl cyanideN86N#CC(CBr)=OInChI=1S/C3H2BrNO/c4-1-3(6)2-5/h1H2InChIKey=NGMZEDXVXVVSRY-UHFFFAOYSA-N209.8Ex 209.77(BP est) 16.98(MP est) ----(BP exp) ----(MP exp) N#CC(CBr)=O 17Pred
COC(CCl)=N20177107.537C3H6ClNOmethyl 2-chloroacetimidateN126COC(CCl)=NInChI=1S/C3H6ClNO/c1-6-3(5)2-4/h5H,2H2,1H3InChIKey=GAWAXYCUBKOJQP-UHFFFAOYSA-N158.6Ex 158.58(BP est) -24.86(MP est) ----(BP exp) ----(MP exp) COC(CCl)=N -24.9Pred
ClC1=NC=CN120178102.521C3H3ClN22-chloro-1H-imidazoleN96ClC1=NC=CN1InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)InChIKey=OCVXSFKKWXMYPF-UHFFFAOYSA-N267.9Ex 267.88(BP est) 47.86(MP est) ----(BP exp) ----(MP exp) ClC1=NC=CN1 47.9Pred
O=C1NSC=C120179101.123C3H3NOSisothiazol-3(2H)-oneN96O=C1NSC=C1InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)InChIKey=MGIYRDNGCNKGJU-UHFFFAOYSA-N269.1Ex 269.13(BP est) 77.49(MP est) ----(BP exp) ----(MP exp) O=C1NSC=C1 77.5Pred
O=C(CCI)O20180199.975C3H5IO23-iodopropanoic acidN116O=C(CCI)OInChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)InChIKey=KMRNTNDWADEIIX-UHFFFAOYSA-N239.8Ex 239.75(BP est) 40.58(MP est) ----(BP exp) 81.50(MP exp) O=C(CCI)O 81.5Expt
CC1(C2)C2(Br)C120181147.015C5H7Br1-bromo-3-methylbicyclo[1.1.0]butaneN136CC1(C2)C2(Br)C1InChI=1S/C5H7Br/c1-4-2-5(4,6)3-4/h2-3H2,1H3InChIKey=VRPTVRQYXVOBQK-UHFFFAOYSA-N104.4Ex 104.41(BP est) -14.61(MP est) ----(BP exp) ----(MP exp) CC1(C2)C2(Br)C1 -14.6Pred
BrC1=CC=CN120182145.987C4H4BrN2-bromo-1H-pyrroleN106BrC1=CC=CN1InChI=1S/C4H4BrN/c5-4-2-1-3-6-4/h1-3,6HInChIKey=SAQAERNKMHATDZ-UHFFFAOYSA-N184.0Ex 184.02(BP est) 8.19(MP est) ----(BP exp) ----(MP exp) BrC1=CC=CN1 8.2Pred
NC1=NCCS120183102.155C3H6N2S4,5-dihydrothiazol-2-amineN126NC1=NCCS1InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)InChIKey=REGFWZVTTFGQOJ-UHFFFAOYSA-N180.2Ex 180.19(BP est) 21.43(MP est) ----(BP exp) ----(MP exp) NC1=NCCS1 21.4Pred
CCCSC=O20184104.167C4H8OSS-propyl methanethioateN146CCCSC=OInChI=1S/C4H8OS/c1-2-3-6-4-5/h4H,2-3H2,1H3InChIKey=AIDJKHXHGBQDPE-UHFFFAOYSA-N151.6Ex 151.59(BP est) -43.53(MP est) ----(BP exp) ----(MP exp) CCCSC=O -43.5Pred
COCI20185171.965C2H5IOiodo(methoxy)methaneN94COCIInChI=1S/C2H5IO/c1-4-2-3/h2H2,1H3InChIKey=UUSXSNJAQDJKCG-UHFFFAOYSA-N113.8Ex 113.84(BP est) -63.88(MP est) ----(BP exp) ----(MP exp) COCI -63.9Pred
COCS(C)=O20186108.155C3H8O2Smethoxy(methylsulfinyl)methaneN146COCS(C)=OInChI=1S/C3H8O2S/c1-5-3-6(2)4/h3H2,1-2H3InChIKey=YQJANBSOEYEKEF-UHFFFAOYSA-N173.5Ex 173.49(BP est) -19.86(MP est) ----(BP exp) ----(MP exp) COCS(C)=O -19.9Pred
O=C=C(Cl)Cl20187110.921C2Cl2O2,2-dichloroethen-1-oneN55O=C=C(Cl)ClInChI=1S/C2Cl2O/c3-2(4)1-5InChIKey=TVWWMKZMZALOFP-UHFFFAOYSA-N36.0Ex 36.04(BP est) -92.59(MP est) ----(BP exp) ----(MP exp) O=C=C(Cl)Cl -92.6Pred
CCN=NCC2018886.138C4H10N21,2-diethyldiazeneN166CCN=NCCInChI=1S/C4H10N2/c1-3-5-6-4-2/h3-4H2,1-2H3InChIKey=INTMMHZKGCDQGT-UHFFFAOYSA-N65.5Ex 65.50(BP est) -106.87(MP est) ----(BP exp) ----(MP exp) CCN=NCC -106.9Pred
C=C=CCCBr20189147.015C5H7Br5-bromopenta-1,2-dieneN136C=C=CCCBrInChI=1S/C5H7Br/c1-2-3-4-5-6/h3H,1,4-5H2InChIKey=FRCYODXAVIIGTN-UHFFFAOYSA-N125.6Ex 125.59(BP est) -51.41(MP est) ----(BP exp) ----(MP exp) C=C=CCCBr -51.4Pred
CC(Cl)(C#N)C20190103.549C4H6ClN2-chloro-2-methylpropanenitrileN126CC(Cl)(C#N)CInChI=1S/C4H6ClN/c1-4(2,5)3-6/h1-2H3InChIKey=AMAFFZUDKROYAJ-UHFFFAOYSA-N133.7Ex 133.71(BP est) -38.29(MP est) ----(BP exp) ----(MP exp) CC(Cl)(C#N)C -38.3Pred
N#CC(Cl)=C=O20191101.489C3ClNO2-chloro-3-oxoacrylonitrileN66N#CC(Cl)=C=OInChI=1S/C3ClNO/c4-3(1-5)2-6InChIKey=VRMYYMCXEUCUAE-UHFFFAOYSA-N122.9Ex 122.93(BP est) -44.05(MP est) ----(BP exp) ----(MP exp) N#CC(Cl)=C=O -44.1Pred
C=C(OC)OC2019288.106C4H8O21,1-dimethoxyetheneN146C=C(OC)OCInChI=1S/C4H8O2/c1-4(5-2)6-3/h1H2,2-3H3InChIKey=FJTRNRFAIZEJJJ-UHFFFAOYSA-N64.7Ex 64.73(BP est) -92.72(MP est) ----(BP exp) ----(MP exp) C=C(OC)OC -92.7Pred
OCC(CBr)Br20193217.888C3H6Br2O2,3-dibromopropan-1-olN126OCC(CBr)BrInChI=1S/C3H6Br2O/c4-1-3(5)2-6/h3,6H,1-2H2InChIKey=QWVCIORZLNBIIC-UHFFFAOYSA-N219.0Ex 217.83(BP est) 14.68(MP est) ----(BP exp) ----(MP exp) OCC(CBr)Br 14.7Pred
N#CC=CCS2019499.151C4H5NS4-mercaptobut-2-enenitrileN116N#CC=CCSInChI=1S/C4H5NS/c5-3-1-2-4-6/h1-2,6H,4H2InChIKey=BSXKCSXCUHCWEE-UHFFFAOYSA-N201.5Ex 201.49(BP est) -18.98(MP est) ----(BP exp) ----(MP exp) N#CC=CCS -19Pred
CSC=CSC20195120.228C4H8S21,2-bis(methylthio)etheneN146CSC=CSCInChI=1S/C4H8S2/c1-5-3-4-6-2/h3-4H,1-2H3InChIKey=MRWRXEYAMMSGNE-UHFFFAOYSA-N165.5Ex 165.47(BP est) -45.82(MP est) ----(BP exp) ----(MP exp) CSC=CSC -45.8Pred
CC=C(CO)I20196198.003C4H7IO2-iodobut-2-en-1-olN136CC=C(CO)IInChI=1S/C4H7IO/c1-2-4(5)3-6/h2,6H,3H2,1H3InChIKey=DDLMQQZOGHHQBV-UHFFFAOYSA-N215.1Ex 215.10(BP est) -13.27(MP est) ----(BP exp) ----(MP exp) CC=C(CO)I -13.3Pred
N#CC(Br)Br20197198.845C2HBr2N2,2-dibromoacetonitrileN65N#CC(Br)BrInChI=1S/C2HBr2N/c3-2(4)1-5/h2HInChIKey=NDSBDLSWTGLNQA-UHFFFAOYSA-N203.6Ex 203.61(BP est) 6.98(MP est) ----(BP exp) ----(MP exp) N#CC(Br)Br 7Pred
COC(C)=S2019890.14C3H6OSO-methyl ethanethioateN115COC(C)=SInChI=1S/C3H6OS/c1-3(5)4-2/h1-2H3InChIKey=DTOZRCOCJVVION-UHFFFAOYSA-N106.3Ex 106.31(BP est) -50.11(MP est) ----(BP exp) ----(MP exp) COC(C)=S -50.1Pred
OCC=S2019976.113C2H4OS2-hydroxyethanethialN84OCC=SInChI=1S/C2H4OS/c3-1-2-4/h2-3H,1H2InChIKey=SCLQZPORUNXZLD-UHFFFAOYSA-N71.3Ex 71.32(BP est) -79.11(MP est) ----(BP exp) ----(MP exp) OCC=S -79.1Pred

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