21275802 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 17 17 15 8 8 8 8 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 3 3 4 5 6 8 8 8 9 9 10 11 11 12 12 13 13 10 14 4 5 6 7 9 20 21 9 10 11 15 16 12 13 17 14 18 14 19 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 1 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 2 3.732 4.5981 4.5981 4.5981 5.5981 3.5981 3.732 3.732 2.866 4.5981 2.866 4.5981 3.732 3.52 3.1215 5.135 2.3291 5.135 5.135 5.9081 -0.405 -3.405 2.095 1.095 3.095 2.095 2.095 -0.405 0.595 -0.905 -0.905 -1.905 -1.905 -2.405 1.1776 0.4873 -0.595 -2.215 -2.215 3.405 1.5581 8 8 8 8 8 8 8 8 10 11 12 13 10 11 12 13 14 14 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 232 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 2 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 0000037180603802060000000000000000000000000000000000300000000000000000010000001A02000820000C02A09822300080000110804220420080020000200500088800000A8808262281131080300024C00108880780C0200E04000000008100000800000001020000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (2,4-dichlorophenyl)methyl dihydrogen phosphate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (2,4-dichlorophenyl)methyl dihydrogen phosphate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (2,4-dichlorophenyl)methyl dihydrogen phosphate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (2,4-dichlorophenyl)methyl dihydrogen phosphate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (2,4-dichlorophenyl)methyl dihydrogen phosphate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (2,4-dichlorobenzyl) dihydrogen phosphate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C7H7Cl2O4P/c8-6-2-1-5(7(9)3-6)4-13-14(10,11)12/h1-3H,4H2,(H2,10,11,12) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FAHYTDJZUYXCQQ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.9459011 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C7H7Cl2O4P Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 257.00 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1Cl)Cl)COP(=O)(O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=C(C=C1Cl)Cl)COP(=O)(O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.9459011 14 0 0 0 0 0 0 0 1 -1