3-Bromo-4-fluorobenzoyl chloride

C₇H₃BrClFOCAS 672-75-3237.45 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
Melting point: 43–45 °C
logP: 2.97Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

672-75-3

SMILES

O=C(Cl)c1ccc(F)c(Br)c1

InChIKey

HPHZOCIBMCWXCQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 3-bromo-4-fluoro-

Work with 3-Bromo-4-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

3,4-Difluorobenzoyl chloride76903-88-368 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-460 % similar 3-Bromo-4-fluorobenzoic acid1007-16-560 % similar 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-257 % similar 1-(3-Bromo-4-fluorophenyl)-1-propanone202865-82-555 % similar Methyl 3-bromo-4-fluorobenzoate82702-31-655 % similar 3-Fluorobenzoyl chloride1711-07-549 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook