1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone

C₉H₈ClFOCAS 261762-63-4186.61 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₈ClFO
Molar mass: 186.61 g/mol
Exact mass: 186.0248 Da
logP: 2.99Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

261762-63-4

SMILES

CC(=O)c1c(F)ccc(C)c1Cl

InChIKey

DNESTVGNBQZBHP-UHFFFAOYSA-N

InChI

InChI=1S/C9H8ClFO/c1-5-3-4-7(11)8(6(2)12)9(5)10/h3-4H,1-2H3

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Names and synonyms

3 names

Ethanone, 1-(2-chloro-6-fluoro-3-methylphenyl)-
2-Chloro-6-fluoro-3-methylacetophenone
1-(2-Chloro-6-fluoro-3-methylphenyl)ethan-1-one

Work with 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone

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 chloride261762-81-667 % similar 2-Chloro-6-fluoro-3-methylbenzoic acid32890-89-465 % similar 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-759 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-058 % similar 1-(2,3,6-Trifluorophenyl)ethanone208173-22-254 % similar 2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-249 % similar 2,6-Difluoro-3-methylbenzoyl chloride261763-39-748 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-245 % similar

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

Same formula

3-Chloro-4′-fluoropropiophenone347-93-3 2-Chloro-1-(4-fluorophenyl)-1-propanone81112-09-6

Elsewhere

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