Potassium p-chlorobenzenesulfonate

C6H4ClKO3SCAS 78135-07-6230.70 g/mol

Open in Covalent MOL file
O−SOOClK+
Aryl halideSulfonic acid

Properties

Molecular formula
C6H4ClKO3S
Molar mass
230.70 g/mol
Exact mass
229.9207 Da
logP
1.21Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
78135-07-6
SMILES
[O-]S(=O)(=O)c1ccc(Cl)cc1.[K+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

2 names
  • Benzenesulfonic acid, 4-chloro-, potassium salt (1:1)
  • Benzenesulfonic acid, 4-chloro-, potassium salt

Work with Potassium p-chlorobenzenesulfonate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Chlorobenzenesulfonic acid98-66-8Free acid

Similar compounds

Potassium p-hydroxybenzenesulfonate30145-40-560 % similar Potassium 4-bromobenzenesulfonate66788-58-760 % similar 4,4′-Dichlorodiphenyl sulfone80-07-950 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-847 % similar Sodium 4-methylbenzenesulfonate12068-03-047 % similar Sodium p-aminobenzenesulfonate515-74-247 % similar Sodium p-toluenesulfonate657-84-147 % similar Sodium 4-hydroxybenzenesulfonate825-90-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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