2-Bromo-5-fluorobenzoyl chloride

C₇H₃BrClFOCAS 111771-13-2237.45 g/mol

Open in Covalent MOL file

Acyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

111771-13-2

SMILES

O=C(Cl)c1cc(F)ccc1Br

InChIKey

QIFDGTIOMAVGAQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrClFO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H

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

Names and synonyms

1 names

Benzoyl chloride, 2-bromo-5-fluoro-

Work with 2-Bromo-5-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

2,5-Difluorobenzoyl chloride35730-09-764 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-360 % similar 2-Bromo-5-fluorobenzoic acid394-28-560 % similar 2,4-Difluorobenzoyl chloride72482-64-559 % similar 2-Bromobenzoyl chloride7154-66-756 % similar 2-Bromo-5-methoxybenzoyl chloride56658-04-955 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-855 % similar 2,3,5-Trifluorobenzoyl chloride240800-48-049 % similar

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

Same formula

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

Elsewhere

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