4-Fluoro-3-methylbenzenesulfonyl chloride

C₇H₆ClFO₂SCAS 629672-19-1208.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆ClFO₂S
Molar mass: 208.63 g/mol
Exact mass: 207.9761 Da
logP: 2.06Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

629672-19-1

SMILES

CC1=C(C=CC(=C1)S(=O)(=O)Cl)F

InChIKey

ALEQALYEZFNWOP-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClFO2S/c1-5-4-6(12(8,10)11)2-3-7(5)9/h2-4H,1H3

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Names and synonyms

1 names

4-Fluoro-3-methylbenzene-1-sulfonyl chloride

Work with 4-Fluoro-3-methylbenzenesulfonyl 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

3,4-Difluorobenzenesulfonyl chloride145758-05-068 % similar 3,4-Dimethylbenzenesulfonyl chloride2905-30-868 % similar 3-Chloro-4-fluorobenzenesulphonyl chloride91170-93-362 % similar 4-Bromo-3-methylbenzene-1-sulfonyl chloride72256-93-060 % similar 3-Chloro-4-methylbenzenesulfonyl chloride42413-03-657 % similar 4-Fluoro-3-(trifluoromethyl)benzenesulfonyl Chloride1682-10-657 % similar 4-Bromo-3-fluorobenzenesulfonyl chloride351003-51-556 % similar 3-Cyano-4-fluorobenzenesulfonyl chloride351003-23-155 % similar

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

Same formula

(4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-9 5-Fluoro-2-methylbenzenesulfonyl chloride445-05-6 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-6 4-Fluoro-2-methylbenzenesulfonyl chloride7079-48-3 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-6 3-Fluoro-4-methylbenzenesulfonyl chloride90260-13-2

Elsewhere

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