992 1 2 3 4 5 6 7 8 9 10 11 12 13 17 17 17 17 17 8 6 6 6 6 6 6 1 1 2 3 4 5 6 6 7 7 8 9 10 11 8 9 12 10 11 7 13 8 9 11 10 12 12 1 1 1 1 1 1 1 2 1 1 2 1 2 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 2 5.4641 3.732 5.4641 2 3.732 3.732 2.866 4.5981 4.5981 2.866 3.732 4.269 0.845 0.845 -2.155 -1.155 -1.155 1.845 0.845 0.345 0.345 -0.655 -0.655 -1.155 2.155 8 8 8 8 8 8 7 7 8 9 10 11 8 9 11 10 12 12 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 150 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100602000070000000000000000000000000000000000300000000000000000010000000A02000800000806009020000680000200800000400000020000202440008A40040B8808262283121280700024C0110898078040000000201001008008040040200201001008000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3,4,5,6-pentachlorophenol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3,4,5,6-pentachlorophenol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3,4,5,6-pentachlorophenol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3,4,5,6-pentakis(chloranyl)phenol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2,3,4,5,6-pentachlorophenol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 IZUPBVBPLAPZRR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 5.1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 265.844053 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C6HCl5O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 266.33654 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 20.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 263.847003 12 0 0 0 0 0 0 0 1 2