1.0 2026-09-22 22:47:33 UTC 2026-09-22 22:47:33 UTC FDB119008 4-nitrophenyl phosphate (4-nitrophenyl) dihydrogen phosphate C6H6NO6P 219.0887 218.993273441 (4-nitrophenoxy)phosphonic acid 4-nitrophenyl phosphate OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12) XZKIHKMTEMTJQX-UHFFFAOYSA-N belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group. Phenyl phosphates Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Aromatic homomonocyclic compounds Hydrocarbon derivatives Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Allyl-type 1,3-dipolar organic compound Aromatic homomonocyclic compound Benzenoid C-nitro compound Hydrocarbon derivative Monocyclic benzene moiety Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Phenyl phosphate Propargyl-type 1,3-dipolar organic compound aryl phosphate logp 0.50 ALOGPS logs -2.33 ALOGPS solubility 1.03e+00 g/l ALOGPS logp 0.96 ChemAxon pka_strongest_acidic 1.77 ChemAxon pka_strongest_basic -9.7 ChemAxon iupac (4-nitrophenoxy)phosphonic acid ChemAxon average_mass 219.0887 ChemAxon mono_mass 218.993273441 ChemAxon smiles OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O ChemAxon formula C6H6NO6P ChemAxon inchi InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12) ChemAxon inchikey XZKIHKMTEMTJQX-UHFFFAOYSA-N ChemAxon polar_surface_area 109.9 ChemAxon refractivity 45.23 ChemAxon polarizability 16.61 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2372 Specdb::CMs 32114 Specdb::CMs 102427 Specdb::CMs 157244 Specdb::NmrOneD 4809 Specdb::NmrOneD 4810 Specdb::NmrOneD 334118 Specdb::NmrOneD 334119 Specdb::NmrOneD 334120 Specdb::NmrOneD 334121 Specdb::NmrOneD 334122 Specdb::NmrOneD 334123 Specdb::NmrOneD 334124 Specdb::NmrOneD 334125 Specdb::NmrOneD 334126 Specdb::NmrOneD 334127 Specdb::NmrOneD 334128 Specdb::NmrOneD 334129 Specdb::NmrOneD 334130 Specdb::NmrOneD 334131 Specdb::NmrOneD 334132 Specdb::NmrOneD 334133 Specdb::NmrOneD 334134 Specdb::NmrOneD 334135 Specdb::NmrOneD 334136 Specdb::NmrOneD 334137 Specdb::MsMs 24425 Specdb::MsMs 24426 Specdb::MsMs 24427 Specdb::MsMs 30983 Specdb::MsMs 30984 Specdb::MsMs 30985 Specdb::MsMs 438199 Specdb::MsMs 438200 Specdb::MsMs 438201 Specdb::MsMs 438202 Specdb::MsMs 438203 Specdb::MsMs 439101 Specdb::MsMs 439102 Specdb::MsMs 439190 Specdb::MsMs 448057 Specdb::MsMs 2248443