3,4-Difluorobenzoyl chloride

C₇H₃ClF₂OCAS 76903-88-3176.55 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₂O
Molar mass: 176.55 g/mol
Exact mass: 175.9840 Da
Melting point: 53–54 °C
Boiling point: 61–63 °C (at 15 Torr)
logP: 2.34Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

76903-88-3

SMILES

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

InChIKey

RPQWXGVZELKOEU-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3H

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

Names and synonyms

1 names

Benzoyl chloride, 3,4-difluoro-

Work with 3,4-Difluorobenzoyl 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-Bromo-4-fluorobenzoyl chloride672-75-368 % similar 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-264 % similar Terephthaloyl chloride100-20-956 % similar 4-Fluorobenzoyl chloride403-43-055 % similar 3-Fluorobenzoyl chloride1711-07-555 % similar 1-(3,4-Difluorophenyl)ethanone369-33-555 % similar 3,4-Difluorobenzoic acid455-86-755 % similar 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-955 % similar

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

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 3,5-Difluorobenzoyl chloride129714-97-2 2,6-Difluorobenzoyl chloride18063-02-0 2-Chloro-3,6-difluorobenzaldehyde261762-39-4 2,5-Difluorobenzoyl chloride35730-09-7 2,4-Difluorobenzoyl chloride72482-64-5

Elsewhere

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