chempirical

2-Fluoro-6-methylbenzoyl chloride

C8H6ClFOCAS 535961-78-5172.58 g/mol

Open in Covalent MOL file
FOCl
Acyl halideAryl halide

Properties

Molecular formula
C8H6ClFO
Molar mass
172.58 g/mol
Exact mass
172.0091 Da
logP
2.51Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
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
535961-78-5
SMILES
CC1=C(C(=CC=C1)F)C(=O)Cl
InChIKey
MMGLVQRGMPQKLH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5-3-2-4-6(10)7(5)8(9)11/h2-4H,1H3

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Names and synonyms

1 names
  • Benzoyl chloride, 2-fluoro-6-methyl- (9ci)

Work with 2-Fluoro-6-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

2,6-Difluorobenzoyl chloride18063-02-072 % similar 2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-666 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-364 % similar 2,6-Difluoro-3-methylbenzoyl chloride261763-39-763 % similar 2-Fluoro-6-methylbenzoic acid90259-27-160 % similar 2-Fluoro-6-methoxybenzoyl chlorid500912-12-959 % similar 2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-557 % similar 2-Chloro-3,6-difluorobenzoyl chloride261762-42-956 % similar

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

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 4'-Chloro-3'-fluoroacetophenone151945-84-5 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-1 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-8 5-Fluoro-2-methylbenzoyl chloride21900-39-0 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-7 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-2 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-4

Elsewhere

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