Potassium 2,4,5-trichlorobenzenesulfonate

C₆H₂Cl₃KO₃SCAS 62625-17-6299.59 g/mol

Open in Covalent MOL file

Aryl halide Sulfonic 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

62625-17-6

SMILES

[O-]S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.[K+]

InChIKey

CFAQAXTYLHAIFG-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Cl3O3S.K/c7-3-1-5(9)6(2-4(3)8)13(10,11)12;/h1-2H,(H,10,11,12);

Weigh it out

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

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

Similar compounds

2,4,5-Trichlorobenzenesulfonyl chloride15945-07-048 % similar 2,4,5-Trichlorobenzenesulfonic acid6378-25-247 % 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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook