Cas no 1080-04-2 (Sulfuric acid,mono(4-nitrophenyl) ester)
1080-04-2 structure
Product Name:Sulfuric acid,mono(4-nitrophenyl) ester
Sulfuric acid,mono(4-nitrophenyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Sulfuric acid,mono(4-nitrophenyl) ester
- (4-nitrophenyl) hydrogen sulfate
- 1-nitro-4-sulfooxy-benzene
- 4-nitrophenyl hydrogen sulfate
- bis(4-nitrophenyl) sulfate
- para-Nitrophenyl sulfate
- p-Nitrophenol sulfate
- p-Nitrophenyl sulfate
- 1080-04-2
- (4-nitrophenyl)oxidanesulfonic acid
- p-nitrophenyl sulphate
- Mono (4-nitrophenyl)-sulphate
- para-nitrophenyl sulphate
- DTXSID80148353
- P-Nitrophenol sulphate
- SCHEMBL866411
- 4-Nitro-benzenesulfonic acid anion
- CHEMBL609695
- Sulfuric acid mono(4-nitrophenyl) ester
- NS00122452
- 4NS
- mono (4-nitrophenyl)-sulfate
- 4-Nitrophenyl sulfate
- CHEBI:35422
- Q27116472
-
- Inchi： 1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12)
- InChI Key： JBGHTSSFSSUKLR-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)OC1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 340.00014
- Monoisotopic Mass: 218.98375805g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.8
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 144.24
Sulfuric acid,mono(4-nitrophenyl) ester Related Literature
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1. Bond scission processes in sulphur compounds. Part IX. Nucleophilic catalysis in the methanolysis of methyl p-nitrophenyl sulphateErwin Buncel,Claudio Chuaqui,Paul Forsythe,Susan Mohoney,Alain Raoult,James F. Wiltshire J. Chem. Soc. Perkin Trans. 2 1975 478
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2. Bond scission processes in the methanolysis of methyl p-nitrophenyl sulphateE. Buncel,H. Jarrell,A. Raoult J. Chem. Soc. Chem. Commun. 1972 918b
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Fernanda Duarte,Beat Anton Amrein,Shina Caroline Lynn Kamerlin Phys. Chem. Chem. Phys. 2013 15 11160
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Goran M. M. Rashid,Timothy D. H. Bugg Catal. Sci. Technol. 2021 11 3568
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Du?an Petrovi?,Klaudia Szeler,Shina Caroline Lynn Kamerlin Chem. Commun. 2018 54 3077
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