9583124 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 17 17 8 7 6 6 6 6 6 6 6 1 1 1 1 1 2 3 4 4 5 6 6 6 7 8 8 9 9 10 10 7 11 12 5 16 12 7 8 12 9 10 13 11 14 11 15 1 1 1 1 1 2 2 1 1 1 2 1 2 1 1 1 5 -1 4 12 6 3 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2 3.732 2.866 4.5981 4.5981 3.732 2.866 4.5981 2.866 4.5981 3.732 3.732 5.135 2.3291 5.135 5.135 0.095 -2.905 1.595 2.595 1.595 0.095 -0.405 -0.405 -1.405 -1.405 -1.905 1.095 -0.095 -1.715 -1.715 2.905 8 8 8 8 8 8 6 6 7 8 9 10 7 8 9 10 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 186 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180622000060000000000000000000000000000000000300000000000000000010000001C02040800000C02811820300080100000A002206200000200002005000888002002980820A28113108020002080000888070080000E04000000008100000800000001020000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (1Z)-2,4-dichloro-N-hydroxy-benzimidoyl chloride IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (1Z)-2,4-dichloro-N-hydroxybenzenecarboximidoyl chloride IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (1Z)-2,4-dichloro-N-hydroxybenzenecarboximidoyl chloride IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (1Z)-2,4-bis(chloranyl)-N-oxidanyl-benzenecarboximidoyl chloride IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (1Z)-2,4-dichloro-N-hydroxy-benzimidoyl chloride InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C7H4Cl3NO/c8-4-1-2-5(6(9)3-4)7(10)11-12/h1-3,12H/b11-7- InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 GXBVZCSCOBTMHS-XFFZJAGNSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 222.935847 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C7H4Cl3NO Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 224.47176 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=C(C=C1Cl)Cl)C(=NO)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC(=C(C=C1Cl)Cl)/C(=N/O)/Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 32.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 222.935847 12 0 0 0 1 1 0 0 1 2