7245 1 2 3 4 5 6 7 8 9 10 11 12 13 17 8 6 6 6 6 6 6 1 1 1 1 1 1 2 2 3 3 4 5 5 6 6 7 7 8 4 3 13 4 5 6 7 9 8 10 8 11 12 1 1 1 1 2 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 2 3.732 3.732 2.866 4.5981 2.866 4.5981 3.732 5.135 2.3291 5.135 3.732 4.269 0.345 1.345 0.345 -0.155 -0.155 -1.155 -1.155 -1.655 0.155 -1.465 -1.465 -2.275 1.655 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 74.9 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 1 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 0000037180602000040000000000000000000000000000000000300000000000000000010000001A02000800000806809020300680000200800020420000020000202540088800060B8808262283131280700024C0110898078040000000000000000008000000000000001000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorophenol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorophenol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorophenol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorophenol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chloranylphenol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-chlorophenol InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ISPYQTSUDJAMAB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 128.0028925 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H5ClO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 128.55 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C(=C1)O)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C(=C1)O)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 20.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 128.0028925 8 0 0 0 0 0 0 0 1 -1