3-Chloro-2,4-difluorobenzoyl chloride

C7H2Cl2F2OCAS 157373-00-7210.99 g/mol

Open in Covalent MOL file
OClFClF
Acyl halideAryl halide

Properties

Molecular formula
C7H2Cl2F2O
Molar mass
210.99 g/mol
Exact mass
209.9451 Da
logP
3.00Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
157373-00-7
SMILES
C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F
InChIKey
XGKKQSXUVHMKGM-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl2F2O/c8-5-4(10)2-1-3(6(5)11)7(9)12/h1-2H

Weigh it out

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

Work with 3-Chloro-2,4-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

2,3,4-Trifluorobenzoyl chloride157373-08-571 % similar 2,3-Difluorobenzoyl chloride18355-73-264 % similar 3-Chloro-2,4-difluorobenzoic acid154257-75-763 % similar 3-Chloro-2-fluorobenzoyl chloride85345-76-254 % similar 2,3,6-Trifluorobenzoyl chloride189807-20-353 % similar 2,3-Difluoro-4-methylbenzoyl chloride261763-38-653 % similar 5-Chloro-2-fluorobenzoyl chloride394-29-653 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2,5-difluorobenzoyl chloride132794-08-2 2-Chloro-3,6-difluorobenzoyl chloride261762-42-9 3-Chloro-2,6-difluorobenzoyl chloride261762-43-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook