6420 1 2 3 4 5 6 7 17 17 17 17 8 6 6 1 2 3 4 5 6 6 6 6 7 7 7 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 2 2.366 3.366 4.5981 3.732 2.866 3.732 -0.817 0.549 -1.183 -0.317 1.183 -0.317 0.183 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 82.2 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 0 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 0000037100402000070000000000000000000000000000000000000000000000000000000000000A020000000000020080800000000000000800401800000000000000000000400000004000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,2-trichloroacetyl chloride IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,2-trichloroacetyl chloride IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,2-trichloroacetyl chloride IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,2-tris(chloranyl)ethanoyl chloride IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 2,2,2-trichloroacetyl chloride InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2Cl4O/c3-1(7)2(4,5)6 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 PVFOMCVHYWHZJE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 2.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 181.867375 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2Cl4O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 181.8328 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(Cl)(Cl)Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(Cl)(Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 17.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 179.870325 7 0 0 0 0 0 0 0 1 1