27982 1 2 3 4 5 6 7 8 9 10 11 12 13 17 15 8 8 8 6 6 1 1 1 1 1 1 1 2 2 2 2 3 4 6 6 6 7 7 7 3 4 5 6 12 13 7 8 9 10 11 1 1 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 6.001 3.403 2.5369 2.903 3.903 4.269 5.135 4.6675 3.8705 4.7365 5.5335 2 3.213 0.2315 -0.2685 -0.7685 0.5976 -1.1345 0.2315 -0.2685 0.7065 0.7065 -0.7434 -0.7434 -0.4585 1.1345 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 86.9 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 000003718040300204000000000000000000000000000000000000000000000000000000000000180A0008200000038800400000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 2-chloroethylphosphonic acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 2-chloroethylphosphonic acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 2-chloroethylphosphonic acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 2-chloroethylphosphonic acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 2-chloroethylphosphonic acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 UDPGUMQDCGORJQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 -1 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 143.974308 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C2H6ClO3P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 144.494002 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C(CCl)P(=O)(O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C(CCl)P(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 57.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 143.974308 7 0 0 0 0 0 0 0 1 1