53800670 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 17 17 17 15 8 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 4 1 1 2 3 4 4 4 5 6 8 8 8 9 10 10 11 12 12 13 13 15 9 14 15 5 6 7 11 20 9 10 11 12 13 16 15 14 17 14 18 19 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 2 1 1 1 1 11 5 8 15 3 19 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 2 3.732 2.866 4.5981 4.5981 5.4641 3.732 3.732 2.866 4.5981 3.732 2.866 4.5981 3.732 2.866 5.135 2.3291 5.135 2.3291 5.4641 -0.31 -3.31 2.19 2.19 1.19 2.69 2.69 -0.31 -0.81 -0.81 0.69 -1.81 -1.81 -2.31 1.19 -0.5 -2.12 -2.12 0.88 3.31 8 8 8 8 1 8 8 8 8 9 10 11 12 13 9 10 12 13 15 14 14 1 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 272 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180703002060000000000000000000000000000000000300000000000000000010000001A02000820000C07809860300080000110804220420080020000200500088800000A8808262281131080300024C00108880780C0200E04000000008100000800000001020000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)vinyloxy]-hydroxy-oxo-phosphonium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-hydroxy-oxophosphonium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-hydroxy-oxophosphanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-hydroxy-oxophosphanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloranyl-1-(2,4-dichlorophenyl)ethenoxy]-oxidanyl-oxidanylidene-phosphanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-chloro-1-(2,4-dichlorophenyl)vinyloxy]-hydroxy-keto-phosphonium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H4Cl3O3P/c9-4-8(14-15(12)13)6-2-1-5(10)3-7(6)11/h1-4H/p+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SHJFFEJWPVDKDL-UHFFFAOYSA-O Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.904189 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H5Cl3O3P+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1Cl)Cl)C(=CCl)O[P+](=O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1Cl)Cl)C(=CCl)O[P+](=O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 46.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.904189 15 0 0 0 1 0 1 0 1 -1