7412 1 2 3 4 5 6 7 8 9 10 11 12 13 14 17 8 6 6 6 6 6 6 6 1 1 1 1 1 1 2 3 3 3 4 4 5 5 6 6 7 7 8 9 9 4 5 9 6 10 7 11 8 12 8 13 14 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 3.732 2 2.866 2 3.732 2 3.732 2.866 2.866 1.4631 4.269 1.4631 4.269 2.866 1.75 1.75 0.25 -0.25 -0.25 -1.25 -1.25 -1.75 1.25 0.06 0.06 -1.56 -1.56 -2.37 8 8 8 8 8 8 3 3 4 5 6 7 4 5 6 7 8 8 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 106 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 0000037180602000040000000000000000000000000000000000300000000000000000010000001A02000000000C028098003000800000008802605A00000200002400000888010002C80820328115108021002080000889870888008E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzoyl chloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzoyl chloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzoyl chloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzoyl chloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzoyl chloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 benzoyl chloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PASDCCFISLVPSO-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 140.0028925 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H5ClO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 140.56 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C(=O)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 2021.10.14 140.0028925 9 0 0 0 0 0 0 0 1 1