3-Chloro-2,4-difluorobenzaldehyde

C7H3ClF2OCAS 127675-46-1176.55 g/mol

Open in Covalent MOL file
OFClF
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 5 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
127675-46-1
SMILES
C1=CC(=C(C(=C1C=O)F)Cl)F
InChIKey
PDBQQCWWJXDNJO-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF2O/c8-6-5(9)2-1-4(3-11)7(6)10/h1-3H

Weigh it out

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

Work with 3-Chloro-2,4-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

2,3,4-Trifluorobenzaldehyde161793-17-566 % similar 2-Chloro-3-fluorobenzaldehyde96516-31-361 % similar 2,3-Difluorobenzaldehyde2646-91-558 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-052 % similar 4-Chloro-2-fluorobenzaldehyde61072-56-850 % similar 5-Chloro-2-fluorobenzaldehyde96515-79-650 % similar 6-Chloro-2,3-difluorobenzaldehyde797791-33-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 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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