chempirical

2,3-Difluoro-4-methylbenzoyl chloride

C8H5ClF2OCAS 261763-38-6190.57 g/mol

Open in Covalent MOL file
OClFF
Acyl halideAryl halide

Properties

Molecular formula
C8H5ClF2O
Molar mass
190.57 g/mol
Exact mass
189.9997 Da
logP
2.65Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
261763-38-6
SMILES
CC1=C(C(=C(C=C1)C(=O)Cl)F)F
InChIKey
IHRMSSGDXMQPBA-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClF2O/c1-4-2-3-5(8(9)12)7(11)6(4)10/h2-3H,1H3

Weigh it out

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

Work with 2,3-Difluoro-4-methylbenzoyl chloride

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

2,3,4-Trifluorobenzoyl chloride157373-08-563 % similar 2,3-Difluoro-4-methylbenzoic acid261763-37-559 % similar 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-758 % similar 5-Fluoro-2-methylbenzoyl chloride21900-39-057 % similar 2,3,4,5-Tetrafluorobenzoyl chloride94695-48-453 % similar 3-Chloro-2,4-difluorobenzoyl chloride157373-00-753 % similar 2-Methylbenzoyl chloride933-88-052 % similar 2,3-Difluorobenzoyl chloride18355-73-251 % 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 2,6-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-1-(2,5-difluorophenyl)ethanone60468-36-2

Elsewhere

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