3'-Chloro-4'-fluoroacetophenone

C8H6ClFOCAS 2923-66-2172.58 g/mol

Open in Covalent MOL file
OFCl
Aryl halideKetone

Properties

Molecular formula
C8H6ClFO
Molar mass
172.58 g/mol
Exact mass
172.0091 Da
Melting point
41–42 °C
logP
2.68Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 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
2923-66-2
SMILES
CC(=O)c1ccc(F)c(Cl)c1
InChIKey
PCJPESKRPOTNGU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3

Weigh it out

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Names and synonyms

7 names
  • 1-(3-Chloro-4-fluorophenyl)ethanone
  • Ethanone, 1-(3-chloro-4-fluorophenyl)-
  • Acetophenone, 3′-chloro-4′-fluoro-
  • 3-Chloro-4-fluoroacetophenone
  • 3′-Chloro-4′-fluoroacetophenone
  • 3-Chloro-4-fluorophenyl methyl ketone
  • 1-(3-Chloro-4-fluorophenyl)ethan-1-one

Work with 3'-Chloro-4'-fluoroacetophenone

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

3′,4′-Dichloroacetophenone2642-63-968 % similar 1-(3,4-Difluorophenyl)ethanone369-33-568 % similar 4-Fluoro-3-methylacetophenone369-32-462 % similar 3-Chloro-4-fluorobenzoyl chloride65055-17-662 % similar 4'-Chloro-2',5'-difluoroacetophenone655-12-962 % similar 3-Chloro-4-fluorobenzamide701-43-962 % similar 2′,4′-Dichloro-5′-fluoroacetophenone704-10-962 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-460 % 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 2'-Chloro-5'-fluoroacetophenone2965-16-4 2-Fluorobenzeneacetyl chloride451-81-0

Elsewhere

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