chempirical

3-Chloro-2-fluorobenzoyl chloride

C7H3Cl2FOCAS 85345-76-2193.00 g/mol

Open in Covalent MOL file
ClFOCl
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
85345-76-2
SMILES
C1=CC(=C(C(=C1)Cl)F)C(=O)Cl
InChIKey
VBYJOUAMJITBNL-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2FO/c8-5-3-1-2-4(6(5)10)7(9)11/h1-3H

Weigh it out

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Work with 3-Chloro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Difluorobenzoyl chloride18355-73-268 % similar 2-Chlorobenzoyl chloride609-65-466 % similar 2,3-Dichlorobenzoyl chloride2905-60-461 % similar 3-Chloro-2-fluorobenzamide104326-94-561 % similar 3-Chloro-2-fluorobenzoic acid161957-55-761 % similar 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-161 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-760 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-557 % 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 3-Chloro-4-fluorobenzoyl chloride65055-17-6 2,4-Dichloro-6-fluorobenzaldehyde681435-09-6 2-Chloro-6-fluorobenzoyl chloride79455-63-3

Elsewhere

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