59088477 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 17 17 15 8 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 4 1 1 2 3 4 4 4 5 7 7 7 8 9 9 10 11 11 12 12 14 15 15 15 8 13 14 5 6 15 10 8 9 10 11 12 16 14 13 17 13 18 19 20 21 22 1 1 1 1 2 1 1 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 10 5 7 14 19 3 2 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 2 3.732 5.4641 2.866 2.866 3.732 3.732 2.866 4.5981 3.732 2.866 4.5981 3.732 4.5981 2 5.135 2.3291 5.135 4.5981 2.31 1.4631 1.69 0 -3 1 2.5 1.5 3 0 -0.5 -0.5 1 -1.5 -1.5 -2 1.5 3 -0.19 -1.81 -1.81 2.12 3.5369 3.31 2.4631 8 8 8 8 8 8 7 7 8 9 11 12 8 9 11 12 13 13 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 270 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180703002060000000000000000000000000000000000300000000000000000010000001A0A000020000C07809860320080000110804220420080020000200500088800000A8808262281131080300024C00108880780C0200E04000000008100000800000001020000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-2-chloro-1-(2,4-dichlorophenyl)vinyloxy]-methyl-oxo-phosphonium IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-methyl-oxophosphonium IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [(<I>E</I>)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-methyl-oxophosphanium IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenoxy]-methyl-oxophosphanium IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-2-chloranyl-1-(2,4-dichlorophenyl)ethenoxy]-methyl-oxidanylidene-phosphanium IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [(E)-2-chloro-1-(2,4-dichlorophenyl)vinyloxy]-keto-methyl-phosphonium InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H7Cl3O2P/c1-15(13)14-9(5-10)7-3-2-6(11)4-8(7)12/h2-5H,1H3/q+1/b9-5+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HZSBKBKAIKTXBM-WEVVVXLNSA-N 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 2021.05.07 282.924925 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H7Cl3O2P+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C[P+](=O)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[P+](=O)O/C(=C/Cl)/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 26.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.924925 15 0 0 0 1 1 0 0 1 -1