54108293 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 17 17 17 17 15 8 8 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 5 6 7 8 10 10 10 11 11 12 13 13 14 15 15 17 17 17 18 18 19 12 14 16 19 6 7 8 9 11 17 18 11 12 13 20 21 15 14 22 16 16 23 24 25 26 19 27 28 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 1 5 6 7 8 9 3 1 18 8 27 19 4 28 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 2 5.4641 3.732 6.3301 4.5981 4.5981 5.5981 4.5981 3.5981 3.732 3.732 2.866 4.5981 4.5981 2.866 3.732 6.0981 5.4641 5.4641 3.52 3.1215 5.135 2.3291 5.5611 6.4081 6.635 6.001 4.9272 -1.25 -3.25 -4.25 4.25 1.25 0.25 1.25 2.25 1.25 -1.25 -0.25 -1.75 -1.75 -2.75 -2.75 -3.25 0.384 2.75 3.75 0.3326 -0.3577 -1.44 -3.06 0.074 -0.153 0.694 2.44 4.06 3 8 8 8 8 8 8 1 5 10 10 12 13 14 15 18 7 12 13 15 14 16 16 19 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 354 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0703802070000000000000000000000000000000000300000000000000000010000001A02000020000C03A09862320080000110804220420080020000200500088A40000A8808262281131080300024C00108880780C0200E04001020008100040800204001020008000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chlorovinyl methyl (2,4,5-trichlorophenyl)methyl phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 phosphoric acid 2-chloroethenyl methyl (2,4,5-trichlorophenyl)methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloroethenyl methyl (2,4,5-trichlorophenyl)methyl phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloroethenyl methyl (2,4,5-trichlorophenyl)methyl phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloranylethenyl methyl [2,4,5-tris(chloranyl)phenyl]methyl phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 phosphoric acid 2-chlorovinyl methyl (2,4,5-trichlorobenzyl) ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-3-2-11)18-6-7-4-9(13)10(14)5-8(7)12/h2-5H,6H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NFHGVUHYULYMTE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.896306 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H9Cl4O4P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.0 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COP(=O)(OCC1=CC(=C(C=C1Cl)Cl)Cl)OC=CCl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COP(=O)(OCC1=CC(=C(C=C1Cl)Cl)Cl)OC=CCl 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 2021.05.07 363.899257 19 1 0 1 1 0 1 0 1 -1