Potassium 2,4,5-trichlorobenzenesulfonate

C6H2Cl3KO3SCAS 62625-17-6299.59 g/mol

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

Properties

Molecular formula
C6H2Cl3KO3S
Molar mass
299.59 g/mol
Exact mass
297.8427 Da
logP
2.51Crippen 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
62625-17-6
SMILES
[O-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.[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, 2,4,5-trichloro-, potassium salt (1:1)
  • Benzenesulfonic acid, 2,4,5-trichloro-, potassium salt

Work with Potassium 2,4,5-trichlorobenzenesulfonate

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.

2,4,5-Trichlorobenzenesulfonic acid6378-25-2Free acid

Similar compounds

2,4,5-Trichlorobenzenesulfonyl chloride15945-07-048 % similar Sodium 2-amino-4-chloro-5-methylbenzenesulfonate6627-59-446 % similar Potassium p-chlorobenzenesulfonate78135-07-644 % similar 2-Chloro-5-nitrobenzenesulfonic acid sodium salt946-30-544 % similar Sodium 3,5-dichloro-2-hydroxybenzenesulfonate54970-72-844 % similar Potassium 2,5-dihydroxybenzenesulfonate21799-87-142 % similar Tetradifon116-29-041 % similar Potassium diphenyl sulfone-3-sulfonate63316-43-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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