2-Chloro-4,5-difluorobenzaldehyde

C7H3ClF2OCAS 165047-23-4176.55 g/mol

Open in Covalent MOL file
FFClO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
165047-23-4
SMILES
C1=C(C(=CC(=C1F)F)Cl)C=O
InChIKey
GWUMAKZIHXGJKC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H

Weigh it out

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

Work with 2-Chloro-4,5-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

4-Chloro-2,5-difluorobenzaldehyde879093-02-474 % similar 2-Chloro-4-bromo-5-fluorobenzaldehyde1214386-29-470 % similar 2,4,5-Trifluorobenzaldehyde165047-24-562 % similar 2-Chloro-4-fluoro-5-nitrobenzaldehyde99329-85-860 % similar 2-Chloro-5-fluorobenzaldehyde84194-30-955 % similar 2-Chloro-4-fluorobenzaldehyde84194-36-555 % similar 4,5-Difluoro-2-hydroxybenzaldehyde199287-52-053 % similar 2-Bromo-4,5-difluorobenzaldehyde476620-54-953 % 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 2,3-Difluorobenzoyl chloride18355-73-2 3-Chloro-2,6-difluorobenzaldehyde190011-87-1 4-Chloro-2,6-difluorobenzaldehyde252004-45-8 2-Chloro-3,6-difluorobenzaldehyde261762-39-4 2,5-Difluorobenzoyl chloride35730-09-7

Elsewhere

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