3,5-Difluorobenzenesulfonyl chloride

C₆H₃ClF₂O₂SCAS 210532-25-5212.59 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₃ClF₂O₂S
Molar mass: 212.59 g/mol
Exact mass: 211.9510 Da
logP: 1.89Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

210532-25-5

SMILES

O=S(=O)(Cl)c1cc(F)cc(F)c1

InChIKey

IIQKIICAOXAXEJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClF2O2S/c7-12(10,11)6-2-4(8)1-5(9)3-6/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzenesulfonyl chloride, 3,5-difluoro-
4-(3,5-Difluorophenylsulfonyl) chloride
3,5-Difluorobenzene-1-sulfonyl chloride
3,5-Difluorophenylsulfonyl chloride

Work with 3,5-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

4-Fluorobenzenesulfonyl chloride349-88-262 % similar 4'-Fluoro[1,1'-biphenyl]-4-sulfonyl chloride116748-66-455 % similar 4-Bromo-3,5-difluorobenzenesulfonyl chloride518057-63-153 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-350 % similar 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride39234-86-150 % similar 1,3-Benzenedisulfonyl dichloride585-47-748 % similar 4,4′-Oxybis[benzenesulfonyl chloride]121-63-145 % similar [1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-644 % 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 2,5-Difluorobenzenesulfonyl chloride26120-86-5 2,6-Difluorobenzenesulfonyl chloride60230-36-6

Elsewhere

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