chempirical

Potassium P-nitrophenyl sulfate

C6H4KNO6SCAS 6217-68-1257.26 g/mol

Open in Covalent MOL file
O−N+OOSO−OOK+
Nitro

Properties

Molecular formula
C6H4KNO6S
Molar mass
257.26 g/mol
Exact mass
256.9396 Da
Melting point
250–253 °C
logP
0.40Crippen estimate
Polar surface area
106.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
6217-68-1
SMILES
[O-][N+](=O)c1ccc(OS([O-])(=O)=O)cc1.[K+]
InChIKey
WXDJXGAGFWEHIC-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO6S.K/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;/h1-4H,(H,10,11,12);

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Sulfuric acid, mono(4-nitrophenyl) ester, potassium salt (1:1)
  • Phenol, p-nitro-, hydrogen sulfate (ester), potassium salt
  • Sulfuric acid, mono(4-nitrophenyl) ester, potassium salt
  • Phenol, p-nitro-, hydrogen sulfate, potassium salt
  • Potassium 4-nitrophenyl sulfate

Work with Potassium P-nitrophenyl sulfate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dipotassium 2-hydroxy-5-nitrophenyl sulfate14528-64-462 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-353 % similar 4-Nitrophenyl formate1865-01-650 % similar 4-Nitroanisole100-17-449 % similar 1,4-Dinitrobenzene100-25-448 % similar 1-Nitro-4-phenoxybenzene620-88-247 % similar 4-Nitrophenyl acetate830-03-546 % similar Bis(4-nitrophenyl) carbonate5070-13-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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