chempirical

5-Fluoro-2-methylbenzoyl chloride

C8H6ClFOCAS 21900-39-0172.58 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
21900-39-0
SMILES
CC1=C(C=C(C=C1)F)C(=O)Cl
InChIKey
HBAQRSDZSVESSF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5-2-3-6(10)4-7(5)8(9)11/h2-4H,1H3

Weigh it out

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Work with 5-Fluoro-2-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

2,5-Difluorobenzoyl chloride35730-09-764 % similar 2-Chloro-5-fluorobenzoyl chloride21900-51-662 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-260 % similar 5-Fluoro-2-methylbenzamide175278-28-160 % similar 5-Fluoro-2-methylbenzoic acid33184-16-660 % similar 2,4-Difluorobenzoyl chloride72482-64-559 % similar 2-Chloro-4-fluorobenzoyl chloride21900-54-957 % similar 2,3-Difluoro-4-methylbenzoyl chloride261763-38-657 % 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 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-7 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-2 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-4 2-Fluorobenzeneacetyl chloride451-81-0

Elsewhere

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