11641 1 2 3 4 5 6 35 6 6 1 1 1 1 2 2 3 3 2 3 4 5 6 1 2 1 1 1 1 5 255 1 2 3 4 5 6 3.732 2.866 2 2.866 2 1.4631 0.25 -0.25 0.25 -0.87 0.87 -0.06 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371004000000010000000000000000000000000000000000000000000000000000000000018004000000140008000000000000000008000000200000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromoethylene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromoethene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromoethene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromoethene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromanylethene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 bromoethylene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H3Br/c1-2-3/h2H,1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 INLLPKCGLOXCIV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 105.94181 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H3Br Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 106.95 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=CBr SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C=CBr Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 105.94181 3 0 0 0 0 0 0 0 1 -1