3-Chloro-2,6-difluorobenzaldehyde

C7H3ClF2OCAS 190011-87-1176.55 g/mol

Open in Covalent MOL file
FOFCl
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 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
190011-87-1
SMILES
C1=CC(=C(C(=C1F)C=O)F)Cl
InChIKey
HFKZZEDGXXYRDW-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-5-1-2-6(9)4(3-11)7(5)10/h1-3H

Weigh it out

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

Work with 3-Chloro-2,6-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

6-Chloro-2,3-difluorobenzaldehyde797791-33-473 % similar 2,3,6-Trifluorobenzaldehyde104451-70-968 % similar 2-Chloro-6-fluorobenzaldehyde387-45-161 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde186517-29-360 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-158 % similar 2,3,4-Trifluorochlorobenzene36556-42-055 % similar 2,6-Difluorobenzaldehyde437-81-055 % similar 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-754 % 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-Chloro-4,5-difluorobenzaldehyde165047-23-4 2,6-Difluorobenzoyl chloride18063-02-0 2,3-Difluorobenzoyl chloride18355-73-2 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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