1-(2,6-Dichloro-3-fluorophenyl)ethanone

C8H5Cl2FOCAS 290835-85-7207.03 g/mol

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OClFCl
Aryl halideKetone

Properties

Molecular formula
C8H5Cl2FO
Molar mass
207.03 g/mol
Exact mass
205.9701 Da
logP
3.34Crippen 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.

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Identifiers

CAS number
290835-85-7
SMILES
CC(=O)c1c(Cl)ccc(F)c1Cl
InChIKey
VJBFZHHRVCPAPZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3

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Names and synonyms

4 names
  • Ethanone, 1-(2,6-dichloro-3-fluorophenyl)-
  • 2′,6′-Dichloro-3′-fluoroacetophenone
  • 2,6-Dichloro-3-fluoroacetophenone
  • 1-(2,6-Dichloro-3-fluorophenyl)ethan-1-one

Work with 1-(2,6-Dichloro-3-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

3'-Chloro-2',6'-difluoroacetophenone177942-50-666 % similar 2'-Chloro-6'-fluoroacetophenone87327-69-365 % similar 2,6-Dichloro-3-fluorobenzoic acid178813-78-061 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-459 % similar 2′,6′-Dichloroacetophenone2040-05-356 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-055 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-554 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-6 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-7 2′,4′-Dichloro-5′-fluoroacetophenone704-10-9

Elsewhere

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