8371 1 2 3 4 5 6 7 8 9 10 11 12 17 17 17 17 8 8 6 6 6 6 6 6 1 2 3 4 5 6 7 7 8 9 9 10 7 8 9 10 11 12 8 11 12 10 11 12 1 1 1 1 2 2 2 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 2 2 5.4641 5.4641 3.732 3.732 2.866 2.866 4.5981 4.5981 3.732 3.732 -1 1 -1 1 -2 2 -0.5 0.5 -0.5 0.5 -1 1 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 278 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 0 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 0000037100603000070000000000000000000000000000000000200000000000000000000000000A020000000008060080000000000000008800805000000000002000000008000002484000000000000000000000000801020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6-tetrachloro-1,4-benzoquinone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6-tetrakis(chloranyl)cyclohexa-2,5-diene-1,4-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3,5,6-tetrachloro-p-benzoquinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UGNWTBMOAKPKBL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 245.862290 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C6Cl4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 245.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 243.865240 12 0 0 0 0 0 0 0 1 -1