1730 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 80 17 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 3 3 4 5 5 5 6 6 7 7 8 8 9 10 2 8 11 16 11 6 7 11 9 12 10 13 9 10 14 15 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2.866 2 3.732 2 2.866 3.732 2 2.866 3.732 2 2.866 4.269 1.4631 4.269 1.4631 3.732 -2.31 -2.81 2.19 2.19 0.69 0.19 0.19 -1.31 -0.81 -0.81 1.69 0.5 0.5 -1.12 -1.12 2.81 8 8 8 8 8 8 5 5 6 7 8 8 6 7 9 10 9 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 143 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180603000040000000000000100000000000000000000300000000000000000010000001A00000800000C00809800300880000200880220D208000200002400000888010008C808263280151080710024C00108998788C8208E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carboxyphenyl)-chloro-mercury IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carboxyphenyl)-chloromercury IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carboxyphenyl)-chloromercury IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carboxyphenyl)-chloromercury IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carboxyphenyl)-chloranyl-mercury IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (4-carboxyphenyl)-chloro-mercury InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YFZOUMNUDGGHIW-UHFFFAOYSA-M Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.968451 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H5ClHgO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.16 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C(=O)O)[Hg]Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C(=O)O)[Hg]Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.968451 11 0 0 0 0 0 0 0 1 -1