65578 1 2 3 4 5 6 17 17 8 8 6 6 1 2 3 4 5 5 6 5 6 6 1 1 2 2 1 1 5 255 1 2 3 4 5 6 2 4.5981 2.866 3.732 2.866 3.732 0.25 -0.25 -1.25 1.25 -0.25 0.25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 75.5 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 0 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 0000037100403000060000000000000000000000000000000000000000000000000000000000000A020000000000020080000000000000000800401800000000000000000000400000004000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalyl dichloride IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalyl dichloride IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalyl dichloride IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethanedioyl dichloride IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 oxalyl dichloride InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2Cl2O2/c3-1(5)2(4)6 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CTSLXHKWHWQRSH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 125.927535 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2Cl2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 126.9262 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(=O)Cl)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(=O)(C(=O)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 34.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 125.927535 6 0 0 0 0 0 0 0 1 1