chempirical

4-Bromo-2-fluorobenzoyl chloride

C7H3BrClFOCAS 151982-51-3237.45 g/mol

Open in Covalent MOL file
BrFOCl
Acyl halideAryl halide

Properties

Molecular formula
C7H3BrClFO
Molar mass
237.45 g/mol
Exact mass
235.9040 Da
logP
2.97Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
151982-51-3
SMILES
C1=CC(=C(C=C1Br)F)C(=O)Cl
InChIKey
PCFIABOQFAFDAU-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrClFO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H

Weigh it out

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

Work with 4-Bromo-2-fluorobenzoyl 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

2,4-Difluorobenzoyl chloride72482-64-564 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-862 % similar 4-Bromo-2-fluorobenzoic acid112704-79-760 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-057 % similar 2-Fluorobenzoyl chloride393-52-255 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-250 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-649 % similar 3-Bromobenzoyl chloride1711-09-749 % similar

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

Same formula

2-Bromo-5-fluorobenzoyl chloride111771-13-2 2-Chloro-4-bromo-5-fluorobenzaldehyde1214386-29-4 3-Bromo-4-fluorobenzoyl chloride672-75-3

Elsewhere

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