chempirical

3-Chloro-4-fluorobenzoyl chloride

C7H3Cl2FOCAS 65055-17-6193.00 g/mol

Open in Covalent MOL file
OClClF
Acyl halideAryl halide

Properties

Molecular formula
C7H3Cl2FO
Molar mass
193.00 g/mol
Exact mass
191.9545 Da
logP
2.86Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65055-17-6
SMILES
C1=CC(=C(C=C1C(=O)Cl)Cl)F
InChIKey
DLZUHSFUBZTBQZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H

Weigh it out

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Work with 3-Chloro-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 chloride76903-88-370 % similar 3,4-Dichlorobenzoyl chloride3024-72-467 % similar 3-Chloro-4-fluorobenzamide701-43-964 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-262 % similar 3-Chloro-4-fluorobenzoic acid403-16-762 % similar 4-Fluoro-3-methylbenzoyl chloride455-84-562 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-362 % similar 4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-458 % similar

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

Same formula

2-Chloro-5-fluorobenzoyl chloride21900-51-6 2-Chloro-4-fluorobenzoyl chloride21900-54-9 5-Chloro-2-fluorobenzoyl chloride394-29-6 4-Chloro-2-fluorobenzoyl chloride394-39-8 2,4-Dichloro-6-fluorobenzaldehyde681435-09-6 2-Chloro-6-fluorobenzoyl chloride79455-63-3 3-Chloro-2-fluorobenzoyl chloride85345-76-2

Elsewhere

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