2-Chloro-3,6-difluorobenzaldehyde

C₇H₃ClF₂OCAS 261762-39-4176.55 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃ClF₂O
Molar mass: 176.55 g/mol
Exact mass: 175.9840 Da
logP: 2.43Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

261762-39-4

SMILES

O=Cc1c(F)ccc(F)c1Cl

InChIKey

KPYBGKSDBNMHTO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O/c8-7-4(3-11)5(9)1-2-6(7)10/h1-3H

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

Names and synonyms

1 names

Benzaldehyde, 2-chloro-3,6-difluoro-

Work with 2-Chloro-3,6-difluorobenzaldehyde

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-methylbenzaldehyde104451-99-270 % similar 2,6-Difluorobenzaldehyde437-81-068 % similar 2-Chloro-6-fluorobenzaldehyde387-45-162 % similar 2,3,6-Trifluorobenzaldehyde104451-70-957 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-255 % similar B-(3-Fluoro-2-formylphenyl)boronic acid871126-15-750 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-148 % similar 2,3,6-Trichlorobenzaldehyde4659-47-647 % similar

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

Same formula

3-Chloro-2,4-difluorobenzaldehyde127675-46-1 3,5-Difluorobenzoyl chloride129714-97-2 2,6-Difluorobenzoyl chloride18063-02-0 2,5-Difluorobenzoyl chloride35730-09-7 2,4-Difluorobenzoyl chloride72482-64-5 3,4-Difluorobenzoyl chloride76903-88-3

Elsewhere

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