chempirical

5-Nitro-2-carboxybenzenesulfonic acid potassium salt

C7H4KNO7SCAS 5344-48-9285.27 g/mol

Open in Covalent MOL file
O−ON+O−OSOOOHK+
Carboxylic acidNitroSulfonic acid

Properties

Molecular formula
C7H4KNO7S
Molar mass
285.27 g/mol
Exact mass
284.9346 Da
logP
0.16Crippen estimate
Polar surface area
134.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Identifiers

CAS number
5344-48-9
SMILES
[O-]C(=O)c1ccc([N+]([O-])=O)cc1S(=O)(=O)O.[K+]
InChIKey
LDDPHQAIEFBCTC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO7S.K/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15;/h1-3H,(H,9,10)(H,13,14,15);

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

Names and synonyms

2 names
  • Benzoic acid, 4-nitro-2-sulfo-, potassium salt (1:1)
  • Benzoic acid, 4-nitro-2-sulfo-, monopotassium salt

Work with 5-Nitro-2-carboxybenzenesulfonic acid potassium salt

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

4,4′-Dinitro-2,2′-stilbenedisulfonic acid128-42-757 % similar 2-Methyl-5-nitrobenzenesulfonic acid121-03-955 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-155 % similar 4-Nitroaniline-2-sulfonic acid96-75-355 % similar 2,4-Dinitrobenzenesulfonic acid89-02-154 % similar 5-Amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid119-72-249 % similar 4-Nitrobenzenesulfonic acid138-42-147 % similar 2-[(4-Aminophenyl)amino]-5-nitrobenzenesulfonic acid91-29-246 % similar

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

Elsewhere

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