chempirical

2,5-Difluorobenzenesulfonyl chloride

C6H3ClF2O2SCAS 26120-86-5212.59 g/mol

Open in Covalent MOL file
OSOClFF
Aryl halide

Properties

Molecular formula
C6H3ClF2O2S
Molar mass
212.59 g/mol
Exact mass
211.9510 Da
logP
1.89Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
26120-86-5
SMILES
O=S(=O)(Cl)c1cc(F)ccc1F
InChIKey
CELLJWUVMKEJDY-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-3-4(8)1-2-5(6)9/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzenesulfonyl chloride, 2,5-difluoro-
  • 2,5-Difluorobenzene-1-sulfonyl chloride

Work with 2,5-Difluorobenzenesulfonyl 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

5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-166 % similar 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-664 % similar 2,5-Difluorobenzenesulfonamide120022-63-158 % similar 2,3,4-Trifluorobenzenesulfonyl chloride175278-08-755 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-053 % similar 4-Fluorobenzenesulfonyl chloride349-88-252 % similar 4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-951 % similar 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-650 % similar

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

Same formula

2,4-Difluorobenzenesulfonyl chloride13918-92-8 3,4-Difluorobenzenesulfonyl chloride145758-05-0 3,5-Difluorobenzenesulfonyl chloride210532-25-5 2,6-Difluorobenzenesulfonyl chloride60230-36-6

Elsewhere

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