2-Chloro-5-nitrobenzenesulfonic acid sodium salt

C₆H₃ClNNaO₅SCAS 946-30-5259.59 g/mol

Open in Covalent MOL file

Aryl halide Nitro Sulfonic acid

Properties

Molecular formula: C₆H₃ClNNaO₅S
Molar mass: 259.59 g/mol
Exact mass: 258.9318 Da
logP: 1.11Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

946-30-5

SMILES

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

InChIKey

WMYFGZQYUQSOIT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClNO5S.Na/c7-5-2-1-4(8(9)10)3-6(5)14(11,12)13;/h1-3H,(H,11,12,13);

Weigh it out

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

Names and synonyms

6 names

Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt (1:1)
Benzenesulfonic acid, 2-chloro-5-nitro-, sodium salt
Sodium 2-chloro-5-nitrobenzenesulfonate
Sodium 6-chloro-3-nitrobenzenesulfonate
6-Chloro-3-nitrobenzenesulfonic acid sodium salt
Sodium 1-chloro-4-nitrobenzene-2-sulfonate

Work with 2-Chloro-5-nitrobenzenesulfonic acid sodium 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

Sodium 2-amino-5-nitrobenzenesulfonate30693-53-970 % similar 2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-365 % similar Sodium 2,4-dinitrobenzenesulfonate885-62-165 % similar 2-Chloro-5-nitrobenzenesulfonamide96-72-063 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-163 % similar Nitrol S127-68-459 % similar 1,2-Dichloro-4-nitrobenzene99-54-757 % similar 2,4-Dinitrochlorobenzene97-00-754 % similar

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

Same formula

Sodium 4-chloro-3-nitrobenzenesulfonate17691-19-9

Elsewhere

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