2,6-Difluoro-3-methylbenzoyl chloride

C₈H₅ClF₂OCAS 261763-39-7190.57 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₈H₅ClF₂O
Molar mass: 190.57 g/mol
Exact mass: 189.9997 Da
logP: 2.65Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

261763-39-7

SMILES

Cc1ccc(F)c(C(=O)Cl)c1F

InChIKey

LXCIIPPXRHOCQN-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClF2O/c1-4-2-3-5(10)6(7(4)11)8(9)12/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 2,6-difluoro-3-methyl-

Work with 2,6-Difluoro-3-methylbenzoyl 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-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-669 % similar 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-769 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-063 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-958 % similar 2,6-Difluorobenzoyl chloride18063-02-055 % similar 2-Chloro-3,6-difluorobenzoyl chloride261762-42-954 % similar Pentafluorobenzoyl chloride2251-50-552 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-349 % similar

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

Same formula

2'-Chloro-4',5'-difluoroacetophenone121872-94-4 2-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-8 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-9 2-Chloro-1-(2,5-difluorophenyl)ethanone60468-36-2

Elsewhere

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