chempirical

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

Identifiers

CAS number
78135-07-6
SMILES
[O-]S(=O)(=O)c1ccc(Cl)cc1.[K+]
InChIKey
UQMQLSCQHAKCJZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClO3S.K/c7-5-1-3-6(4-2-5)11(8,9)10;/h1-4H,(H,8,9,10);

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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

Similar compounds

Potassium p-hydroxybenzenesulfonate30145-40-560 % similar Zinc phenolsulfonate127-82-252 % 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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