Sodium 2,4-dinitrobenzenesulfonate

C₆H₃N₂NaO₇SCAS 885-62-1270.15 g/mol

Open in Covalent MOL file

Nitro Sulfonic acid

Properties

Molecular formula: C₆H₃N₂NaO₇S
Molar mass: 270.15 g/mol
Exact mass: 269.9559 Da
logP: 0.37Crippen estimate
Polar surface area: 140.7 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 3

Identifiers

CAS number

885-62-1

SMILES

[O-][N+](=O)c1ccc(S([O-])(=O)=O)c([N+]([O-])=O)c1.[Na+]

InChIKey

YBUDIIJTXCIQSP-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O7S.Na/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12;/h1-3H,(H,13,14,15);

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonic acid, 2,4-dinitro-, sodium salt (1:1)
Benzenesulfonic acid, 2,4-dinitro-, sodium salt
2,4-Dinitrobenzenesulfonic acid sodium salt

Work with Sodium 2,4-dinitrobenzenesulfonate

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

Sodium 2-amino-5-nitrobenzenesulfonate30693-53-965 % similar 2-Chloro-5-nitrobenzenesulfonic acid sodium salt946-30-565 % similar 2,4-Dinitrobenzenesulfonyl chloride1656-44-662 % similar 2,4-Dinitrobenzenesulfonic acid89-02-162 % similar Sodium 2,4-dinitrophenolate1011-73-058 % similar Nitrol S127-68-457 % similar Sodium 4-chloro-3-nitrobenzenesulfonate17691-19-950 % similar Sodium 2-nitroaniline-4-sulfonate5042-33-150 % similar

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

Elsewhere

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