chempirical

2'-Chloro-6'-fluoroacetophenone

C8H6ClFOCAS 87327-69-3172.58 g/mol

Open in Covalent MOL file
OClF
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87327-69-3
SMILES
CC(=O)C1=C(C=CC=C1Cl)F
InChIKey
DNVGZKIRMBCQEQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1-(2-Chloro-6-fluorophenyl)ethan-1-one

Work with 2'-Chloro-6'-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

1-(2,6-Difluorophenyl)ethanone13670-99-075 % similar 1-(2,6-Dichlorophenyl)ethanone2040-05-371 % similar 3'-Chloro-2',6'-difluoroacetophenone177942-50-665 % similar 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-765 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-361 % similar 2-Chloro-6-fluorobenzoic acid434-75-359 % similar 2'-Fluoro-6'-(trifluoromethyl)acetophenone174013-29-758 % similar 2'-Chloro-4',5'-difluoroacetophenone121872-94-456 % 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 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-2 1-(2-Chloro-5-fluorophenyl)ethanone2965-16-4

Elsewhere

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