6901 1 2 3 4 5 6 7 8 9 10 17 17 17 17 17 17 6 6 6 6 1 2 3 4 5 6 7 7 8 7 8 9 9 10 10 8 9 10 1 1 1 1 1 1 1 2 2 1 5 255 1 2 3 4 5 6 7 8 9 10 3.732 4.5981 2 2.866 6.3301 5.4641 3.732 4.5981 2.866 5.4641 -1.25 1.25 -0.25 1.25 0.25 -1.25 -0.25 0.25 0.25 -0.25 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 160 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371006000000700000000000000000000000000000000000000000000000000000000000008020000000008020000800000000000008000004000000000000000000000400000000800000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,3,4,4-hexachlorobuta-1,3-diene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,3,4,4-hexachlorobuta-1,3-diene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,3,4,4-hexachlorobuta-1,3-diene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,3,4,4-hexachlorobuta-1,3-diene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,3,4,4-hexakis(chloranyl)buta-1,3-diene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,1,2,3,4,4-hexachlorobuta-1,3-diene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RWNKSTSCBHKHTB-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 259.810166 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4Cl6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 260.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 257.813116 10 0 0 0 0 0 0 0 1 1