1-(2-Chloro-4-fluorophenyl)ethanone

C8H6ClFOCAS 700-35-6172.58 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
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
700-35-6
SMILES
CC(=O)c1ccc(F)cc1Cl
InChIKey
CSEMGLVHVZRXQF-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Ethanone, 1-(2-chloro-4-fluorophenyl)-
  • Acetophenone, 2′-chloro-4′-fluoro-
  • 2′-Chloro-4′-fluoroacetophenone
  • 2-Chloro-4-fluorophenyl methyl ketone
  • 1-(2-Chloro-4-fluorophenyl)ethan-1-one
  • 2'-Chloro-4'-fluoroacetophenone

Work with 1-(2-Chloro-4-fluorophenyl)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',4'-Dichloroacetophenone2234-16-464 % similar 1-(2,4-Difluorophenyl)ethanone364-83-064 % similar 2-Chloro-4-fluorobenzoyl chloride21900-54-962 % similar 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-960 % similar 4'-Fluoro-2'-hydroxyacetophenone1481-27-260 % similar 2-Chloro-4-fluorobenzoic acid2252-51-960 % similar 1-(2-Chloro-4-hydroxyphenyl)ethanone68301-59-760 % similar 2-Chloro-4-fluorobenzamide88578-90-960 % 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 3'-Chloro-4'-fluoroacetophenone2923-66-2 2'-Chloro-5'-fluoroacetophenone2965-16-4

Elsewhere

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