7627 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 80 8 8 8 6 6 6 6 6 6 5 1 1 1 1 1 1 1 1 1 4 -1 1 2 2 3 3 4 5 5 6 6 7 7 8 8 9 9 10 5 11 17 11 18 11 6 7 8 12 9 13 10 14 10 15 16 1 1 1 1 1 1 2 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 15 16 17 18 1.403 2.269 0.5369 1.403 1.403 0.5369 2.269 0.5369 2.269 1.403 1.403 0 2.8059 0 2.8059 1.403 2.8059 0 3.62 7.12 7.12 5.62 2.62 2.12 2.12 1.12 1.12 0.62 6.62 2.43 2.43 0.81 0.81 0 6.81 6.81 8 8 8 8 8 8 5 5 6 7 8 9 6 7 8 9 10 10 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 56.9 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 2 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 00000371826030000000000000000001000000000000000000003000000000000000000100000818000008000008008010003000800000008000204200000200002000000888000000880820228011108020002080000888070000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dihydrogen borate;phenylmercury(1+) IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dihydrogen borate;phenylmercury(1+) IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dihydrogen borate;phenylmercury(1+) IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dihydrogen borate;phenylmercury(1+) IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dihydrogen borate;phenylmercury(1+) IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 dihydrogen borate;phenylmercury(1+) InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VUXSPDNLYQTOSY-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.019468 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6H7BHgO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 338.52 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B(O)(O)[O-].C1=CC=C(C=C1)[Hg+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 B(O)(O)[O-].C1=CC=C(C=C1)[Hg+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.019468 11 0 0 0 0 0 0 0 2 -1