chempirical

2,3,4-Trifluorobenzenesulfonyl chloride

C6H2ClF3O2SCAS 175278-08-7230.59 g/mol

Open in Covalent MOL file
OSOClFFF
Aryl halide

Properties

Molecular formula
C6H2ClF3O2S
Molar mass
230.59 g/mol
Exact mass
229.9416 Da
Melting point
122–124 °C
logP
2.03Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
175278-08-7
SMILES
O=S(=O)(Cl)c1ccc(F)c(F)c1F
InChIKey
XFTDZYFHXRZLEF-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClF3O2S/c7-13(11,12)4-2-1-3(8)5(9)6(4)10/h1-2H

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Names and synonyms

2 names
  • Benzenesulfonyl chloride, 2,3,4-trifluoro-
  • 2,3,4-Trifluorobenzene-1-sulfonyl chloride

Work with 2,3,4-Trifluorobenzenesulfonyl chloride

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

2,5-Difluorobenzenesulfonyl chloride26120-86-555 % similar 3-Chloro-2-fluorobenzenesulfonyl chloride351003-48-055 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-153 % similar 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-651 % similar 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-651 % similar 1,2,3,4-Tetrafluorobenzene551-62-248 % similar 2,6-Difluorobenzenesulfonyl chloride60230-36-647 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-046 % similar

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

Elsewhere

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