Potassium 4-bromobenzenesulfonate

C₆H₄BrKO₃SCAS 66788-58-7275.16 g/mol

Open in Covalent MOL file

Aryl halide Sulfonic acid

Properties

Molecular formula: C₆H₄BrKO₃S
Molar mass: 275.16 g/mol
Exact mass: 273.8702 Da
logP: -1.64Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

66788-58-7

SMILES

C1=CC(=CC=C1S(=O)(=O)[O-])Br.[K+]

InChIKey

ZRRZLMBETUWGJQ-UHFFFAOYSA-M

InChI

InChI=1S/C6H5BrO3S.K/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);/q;+1/p-1

Weigh it out

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

Names and synonyms

1 names

4-Bromo-benzenesulfonic acid potassium salt

Work with Potassium 4-bromobenzenesulfonate

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-hydroxybenzenesulfonate30145-40-566 % similar Potassium p-chlorobenzenesulfonate78135-07-660 % similar 2-Hydroxynaphthalene-6-sulfonic acid potassium salt833-66-954 % similar Sodium 4-hydroxybenzenesulfonate825-90-152 % similar Zinc phenolsulfonate127-82-250 % similar Ferric p-toluenesulfonate77214-82-550 % similar Disodium 2,6-naphthalenedisulfonate1655-45-448 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-847 % similar

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

Elsewhere

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