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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 3'-Chloro-2',6'-difluoroacetophenone177942-50-655 % similar 1-(2,3,6-Trifluorophenyl)ethanone208173-22-254 % similar 2'-Chloro-6'-fluoroacetophenone87327-69-354 % similar 4-Fluoro-3-methylacetophenone369-32-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4'-fluoropropiophenone347-93-3 2-Chloro-1-(4-fluorophenyl)propan-1-one81112-09-6

Elsewhere

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