chempirical

Dipotassium 2-hydroxy-5-nitrophenyl sulfate

C6H3K2NO7SCAS 14528-64-4311.35 g/mol

Open in Covalent MOL file
O−N+O−OOSO−OOK+K+
NitroPhenol

Properties

Molecular formula
C6H3K2NO7S
Molar mass
311.35 g/mol
Exact mass
310.8904 Da
logP
-0.28Crippen estimate
Polar surface area
127.0 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
14528-64-4
SMILES
[O-]c1ccc([N+]([O-])=O)cc1OS([O-])(=O)=O.[K+].[K+]
InChIKey
FRSZMHGEAYKGOQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO7S.2K/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13;;/h1-3,8H,(H,11,12,13);;

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Benzenediol, 4-nitro-, 2-(hydrogen sulfate), dipotassium salt
  • Pyrocatechol, 4-nitro-, 2-(hydrogen sulfate), dipotassium salt
  • Potassium, (2-hydroxy-4-nitrophenoxy)-, hydrogen sulfate, potassium salt
  • Pyrocatechol, 4-nitro-, potassium deriv., 2-(hydrogen sulfate), potassium salt
  • Dipotassium nitrocatechol sulfate

Work with Dipotassium 2-hydroxy-5-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

Potassium P-nitrophenyl sulfate6217-68-162 % similar Sodium 2,4-dinitrophenolate1011-73-044 % similar 5-Nitroguaiacol sodium salt67233-85-643 % similar 2-Amino-4-nitrophenol sodium salt61702-43-043 % similar 2,3-Dihydro-6-nitro-1,4-benzodioxin16498-20-742 % similar 6-Nitro-1,3-benzodioxole2620-44-242 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-142 % similar 2-Methoxy-4-nitrobenzenesulfonyl chloride21320-91-240 % similar

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

Elsewhere

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