2-Fluorobenzoyl chloride

C₇H₄ClFOCAS 393-52-2158.56 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇H₄ClFO
Molar mass: 158.56 g/mol
Exact mass: 157.9935 Da
Melting point: 4 °C
Boiling point: 204 °C
logP: 2.20Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

393-52-2

SMILES

O=C(Cl)c1ccccc1F

InChIKey

RAAGZOYMEQDCTD-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H

Weigh it out

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

Names and synonyms

5 names

Benzoyl chloride, 2-fluoro-
Benzoyl chloride, o-fluoro-
o-Fluorobenzoyl chloride
NSC 88304
2-Fluorobenzenecarbonyl chloride

Work with 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phthaloyl chloride88-95-967 % similar 2,6-Difluorobenzoyl chloride18063-02-061 % similar 2,5-Difluorobenzoyl chloride35730-09-758 % similar 2,4-Difluorobenzoyl chloride72482-64-558 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-656 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-856 % similar 2-Chlorobenzoyl chloride609-65-455 % similar 2-Bromobenzoyl chloride7154-66-755 % similar

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

Same formula

3-Fluorobenzoyl chloride1711-07-5 3-Chloro-4-fluorobenzaldehyde34328-61-5 2-Chloro-6-fluorobenzaldehyde387-45-1 4-Fluorobenzoyl chloride403-43-0 4-Chloro-3-fluorobenzaldehyde5527-95-7 2-Chloro-4-fluorobenzaldehyde84194-36-5 3-Chloro-2-fluorobenzaldehyde85070-48-0

Elsewhere

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