2-Chloro-5-fluorobenzoyl chloride

C7H3Cl2FOCAS 21900-51-6193.00 g/mol

Open in Covalent MOL file
FOClCl
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

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number
21900-51-6
SMILES
C1=CC(=C(C=C1F)C(=O)Cl)Cl
InChIKey
SGZSJPBASHYOHQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2FO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H

Weigh it out

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

Work with 2-Chloro-5-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

2,5-Difluorobenzoyl chloride35730-09-766 % similar 2,5-Dichlorobenzoyl chloride2905-61-563 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-262 % similar 5-Fluoro-2-methylbenzoyl chloride21900-39-062 % similar 2-Chloro-5-fluorobenzoic acid2252-50-862 % similar 2'-Chloro-5'-fluoroacetophenone2965-16-462 % similar 2,4-Difluorobenzoyl chloride72482-64-561 % similar 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 3-Chloro-2-fluorobenzoyl chloride85345-76-2

Elsewhere

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