4'-Chloro-2',5'-difluoroacetophenone

C8H5ClF2OCAS 655-12-9190.57 g/mol

Open in Covalent MOL file
OFClF
Aryl halideKetone

Properties

Molecular formula
C8H5ClF2O
Molar mass
190.57 g/mol
Exact mass
189.9997 Da
logP
2.82Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
655-12-9
SMILES
CC(=O)C1=CC(=C(C=C1F)Cl)F
InChIKey
XLBICEUZJHYFQG-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClF2O/c1-4(12)5-2-8(11)6(9)3-7(5)10/h2-3H,1H3

Weigh it out

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

Work with 4'-Chloro-2',5'-difluoroacetophenone

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′-Dichloro-5′-fluoroacetophenone704-10-980 % similar 2′,4′,5′-Trifluoroacetophenone129322-83-469 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-562 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-262 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-261 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-159 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-857 % similar 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Chloro-4',5'-difluoroacetophenone121872-94-4 3'-Chloro-2',6'-difluoroacetophenone177942-50-6 2,3-Difluoro-4-methylbenzoyl chloride261763-38-6 2,6-Difluoro-3-methylbenzoyl chloride261763-39-7 2-Chloro-2,2-difluoroacetophenone384-67-8 2-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-8 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-9 2-Chloro-2',5'-difluoroacetophenone60468-36-2

Elsewhere

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