chempirical

3,4-Difluorobenzenesulfonyl chloride

C6H3ClF2O2SCAS 145758-05-0212.59 g/mol

Open in Covalent MOL file
SOOClFF
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
145758-05-0
SMILES
C1=CC(=C(C=C1S(=O)(=O)Cl)F)F
InChIKey
FSGLUBQENACWCC-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClF2O2S/c7-12(10,11)4-1-2-5(8)6(9)3-4/h1-3H

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

Names and synonyms

1 names
  • 3,4-Difluorobenzene-1-sulfonyl chloride

Work with 3,4-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

4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-568 % similar 3-Cyano-4-fluorobenzenesulfonyl chloride351003-23-162 % similar 4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-158 % similar 4-Fluorobenzenesulfonyl chloride349-88-255 % similar 3,4-Difluorobenzenesulfonamide108966-71-855 % similar 1,3-Benzenedisulfonyl dichloride585-47-754 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-752 % similar 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-450 % similar

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

Same formula

2,4-Difluorobenzenesulfonyl chloride13918-92-8 3,5-Difluorobenzenesulfonyl chloride210532-25-5 2,5-Difluorobenzenesulfonyl chloride26120-86-5 2,6-Difluorobenzenesulfonyl chloride60230-36-6

Elsewhere

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