520892 1 2 3 4 5 6 7 35 17 9 9 8 6 6 1 2 3 4 5 6 6 7 6 6 7 7 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 2 4.5981 2.366 3.366 3.732 2.866 3.732 -0.817 -0.317 0.549 -1.183 1.183 -0.317 0.183 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 93.7 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037100402180041000000000000000000000000000000000000000000000000000000000000B024000000100020080100000000000000800401800000000000000000000000000002000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2,2-difluoro-acetyl chloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2,2-difluoroacetyl chloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2,2-difluoroacetyl chloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2,2-difluoroacetyl chloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromanyl-2,2-bis(fluoranyl)ethanoyl chloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-bromo-2,2-difluoro-acetyl chloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2BrClF2O/c3-2(5,6)1(4)7 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LYJKGSALBRSKNL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.87891 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2BrClF2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.37 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(F)(F)Br)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=O)(C(F)(F)Br)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 17.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.87891 7 0 0 0 0 0 0 0 1 -1