74269 1 2 3 4 5 6 7 8 9 17 17 8 8 6 6 6 1 1 1 2 3 4 5 5 5 5 6 7 6 7 6 7 8 9 1 1 2 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 2 5.4641 2.866 4.5981 3.732 2.866 4.5981 4.1306 3.3335 0.75 0.75 -0.75 -0.75 0.75 0.25 0.25 1.225 1.225 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 87.1 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100403000060000000000000000000000000000000000000000000000000000000000001A020000000008028080000000000000000800401800000000000000000000010002000000000800000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 propanedioyl dichloride IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 propanedioyl dichloride IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 propanedioyl dichloride IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 propanedioyl dichloride IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 malonyl dichloride InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H2Cl2O2/c4-2(6)1-3(5)7/h1H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SXYFKXOFMCIXQW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 139.943185 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H2Cl2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 140.95278 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)Cl)C(=O)Cl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(C(=O)Cl)C(=O)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 2011.09.13 139.943185 7 0 0 0 0 0 0 0 1 1