2-Chloro-3,6-difluorobenzoyl chloride

C7H2Cl2F2OCAS 261762-42-9210.99 g/mol

Open in Covalent MOL file
OClFFCl
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 5 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
261762-42-9
SMILES
O=C(Cl)c1c(F)ccc(F)c1Cl
InChIKey
CBFPZKKUVNEIFF-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl2F2O/c8-6-4(11)2-1-3(10)5(6)7(9)12/h1-2H

Weigh it out

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Names and synonyms

1 names
  • Benzoyl chloride, 2-chloro-3,6-difluoro-

Work with 2-Chloro-3,6-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-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-672 % similar 2,6-Difluorobenzoyl chloride18063-02-068 % similar 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-368 % similar 2,3,6-Trifluorobenzoyl chloride189807-20-363 % similar 2-Chloro-3,6-difluorobenzoic acid287172-74-159 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-359 % similar 2-Fluoro-6-methylbenzoyl chloride535961-78-556 % similar 2,6-Difluoro-3-methylbenzoyl chloride261763-39-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2,5-difluorobenzoyl chloride132794-08-2 3-Chloro-2,4-difluorobenzoyl chloride157373-00-7 3-Chloro-2,6-difluorobenzoyl chloride261762-43-0

Elsewhere

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