1.0 2016-09-30 23:22:32 UTC 2020-04-22 15:17:36 UTC BMDB0006492 BMDB06492 4-Nitrophenyl sulfate p-Nitrophenol sulfate p-Nitrophenyl sulfate Para-nitrophenyl sulfate Sulfuric acid mono(4-nitrophenyl) ester p-Nitrophenol sulfuric acid p-Nitrophenol sulphate p-Nitrophenol sulphuric acid p-Nitrophenyl sulfuric acid p-Nitrophenyl sulphate p-Nitrophenyl sulphuric acid Para-nitrophenyl sulfuric acid Para-nitrophenyl sulphate Para-nitrophenyl sulphuric acid Sulfate mono(4-nitrophenyl) ester Sulphate mono(4-nitrophenyl) ester Sulphuric acid mono(4-nitrophenyl) ester 4-Nitrophenyl sulfuric acid 4-Nitrophenyl sulphate 4-Nitrophenyl sulphuric acid 4-Nitrophenyl sulfate, ion (1-) 4-Nitrophenyl sulfate, potassium salt 4-Nitrophenyl sulfate, sodium salt 4-Nitrophenyl mono (4-Nitrophenyl)-sulfate mono (4-Nitrophenyl)-sulphate P-nitro-Phenol 4-Nitrophenyl sulfate 4-Nitrophenyl hydrogen sulfuric acid 4-Nitrophenyl hydrogen sulphate 4-Nitrophenyl hydrogen sulphuric acid C6H5NO6S 219.172 218.983757587 (4-nitrophenyl)oxidanesulfonic acid P-nitrophenyl sulfate 1080-04-2 OS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12) JBGHTSSFSSUKLR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Phenylsulfates 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 Sulfuric acid monoesters 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 Phenylsulfate Propargyl-type 1,3-dipolar organic compound Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Aromatic homomonocyclic compounds aryl sulfate Solid logp -0.66 ALOGPS logs -2.41 ALOGPS logp 1.13 ChemAxon pka_strongest_acidic -2.9 ChemAxon iupac (4-nitrophenyl)oxidanesulfonic acid ChemAxon average_mass 219.172 ChemAxon mono_mass 218.983757587 ChemAxon smiles OS(=O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O ChemAxon formula C6H5NO6S ChemAxon inchi InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12) ChemAxon inchikey JBGHTSSFSSUKLR-UHFFFAOYSA-N ChemAxon polar_surface_area 109.42 ChemAxon refractivity 45.36 ChemAxon polarizability 17.38 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10246 Specdb::CMs 146258 Specdb::MsMs 288601 Specdb::MsMs 288602 Specdb::MsMs 288603 Specdb::MsMs 327781 Specdb::MsMs 327782 Specdb::MsMs 327783 Specdb::MsMs 3055154 Specdb::MsMs 3055155 Specdb::MsMs 3055156 Specdb::MsMs 3111410 Specdb::MsMs 3111411 Specdb::MsMs 3111412 Specdb::NmrOneD 74592 Specdb::NmrOneD 74593 Specdb::NmrOneD 74594 Specdb::NmrOneD 74595 Specdb::NmrOneD 74596 Specdb::NmrOneD 74597 Specdb::NmrOneD 74598 Specdb::NmrOneD 74599 Specdb::NmrOneD 74600 Specdb::NmrOneD 74601 Specdb::NmrOneD 74602 Specdb::NmrOneD 74603 Specdb::NmrOneD 74604 Specdb::NmrOneD 74605 Specdb::NmrOneD 74606 Specdb::NmrOneD 74607 Specdb::NmrOneD 74608 Specdb::NmrOneD 74609 Specdb::NmrOneD 74610 Specdb::NmrOneD 74611 FDB023939 72581 80349 35422 2320881