21287181 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 17 17 17 15 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 4 5 6 7 9 9 9 10 10 11 11 12 13 13 14 14 15 15 17 17 17 18 18 18 19 19 20 20 11 12 16 5 6 7 8 9 17 19 10 11 21 12 13 22 23 14 15 24 16 25 16 26 18 27 28 29 30 31 20 32 33 34 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 4 5 6 7 8 3 1 9 5 10 11 21 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 2.866 2 3.732 4.5981 4.5981 4.5981 5.5981 3.5981 3.732 3.732 2.866 2.866 4.5981 2.866 4.5981 3.732 5.4641 5.4641 6.0981 7.0981 3.732 2.2554 2.654 5.135 2.3291 5.135 5.6762 6.0747 6.0841 5.4641 4.8441 5.7881 7.4081 7.4081 1.5 -1 -4 1.5 0.5 2.5 1.5 1.5 0 -1 0.5 -1.5 -1.5 -2.5 -2.5 -3 3 4 0.634 0.634 0.62 0.6077 -0.0826 -1.19 -2.81 -2.81 2.4174 3.1077 4 4.62 4 0.097 0.097 1.1709 3 3 8 8 8 8 8 8 4 9 10 10 12 13 14 15 6 11 12 13 14 15 16 16 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 356 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703802060000000000000000000000000000000000300000000000000000010000001A02000020000C17A09862320080000110804220420080020000200500088800000B8808262281131080300024C00108880780C0A00E04000000008100000800000001020000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)ethyl] ethyl vinyl phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 phosphoric acid [2-chloro-1-(2,4-dichlorophenyl)ethyl] ethenyl ethyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)ethyl] ethenyl ethyl phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)ethyl] ethenyl ethyl phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloranyl-1-(2,4-dichlorophenyl)ethyl] ethenyl ethyl phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 phosphoric acid [2-chloro-1-(2,4-dichlorophenyl)ethyl] ethyl vinyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h3,5-7,12H,1,4,8H2,2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LUDIFJIEAOGVDW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.969529 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H14Cl3O4P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 359.6 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOP(=O)(OC=C)OC(CCl)C1=C(C=C(C=C1)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOP(=O)(OC=C)OC(CCl)C1=C(C=C(C=C1)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.969529 20 2 0 2 0 0 0 0 1 -1