chempirical

2-Bromo-2',4'-difluoroacetophenone

C8H5BrF2OCAS 102429-07-2235.03 g/mol

Open in Covalent MOL file
FFOBr
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H5BrF2O
Molar mass
235.03 g/mol
Exact mass
233.9492 Da
logP
2.54Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
102429-07-2
SMILES
C1=CC(=C(C=C1F)F)C(=O)CBr
InChIKey
CSGDTHXBRAAOHV-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

Weigh it out

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

Work with 2-Bromo-2',4'-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-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-866 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-066 % similar 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-562 % similar 2-Bromo-1-(2-fluorophenyl)ethanone655-15-262 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-659 % similar 4-Fluorophenacyl bromide403-29-256 % similar 2,4-Difluorobenzoic acid1583-58-053 % similar 1-(2,4-Difluorophenyl)ethanone364-83-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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