2-Fluoro-5-methylbenzenesulfonyl chloride

C₇H₆ClFO₂SCAS 870704-14-6208.63 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

Identifiers

CAS number

870704-14-6

SMILES

Cc1ccc(F)c(S(=O)(=O)Cl)c1

InChIKey

MOZTWWZAQLPJMT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

2 names

Benzenesulfonyl chloride, 2-fluoro-5-methyl-
2-Fluoro-5-methylbenzene-1-sulfonyl chloride

Work with 2-Fluoro-5-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

2,5-Dimethylbenzenesulfonyl chloride19040-62-164 % similar 2,5-Difluorobenzenesulfonyl chloride26120-86-564 % similar 5-Chloro-2-fluorobenzenesulfonyl chloride351003-49-162 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-959 % similar 2,3,4-Trifluorobenzenesulfonyl chloride175278-08-751 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-050 % similar 4-Bromo-2,5-difluorobenzenesulfonyl chloride207974-14-949 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-348 % similar

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

Same formula

(4-Fluoro-phenyl)-methanesulfonyl chloride103360-04-9 2-Fluoro-4-methylbenzenesulfonyl chloride518070-29-6

Elsewhere

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