chempirical

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

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 2,3-Difluorobenzaldehyde2646-91-558 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-052 % similar 2,3,6-Trifluorobenzaldehyde104451-70-947 % similar 2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-246 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-646 % similar 2,3-Dichlorobenzaldehyde6334-18-545 % similar

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

Same formula

3,5-Difluorobenzoyl chloride129714-97-2 2,6-Difluorobenzoyl chloride18063-02-0 2-Chloro-3,6-difluorobenzaldehyde261762-39-4 2,5-Difluorobenzoyl chloride35730-09-7 2,4-Difluorobenzoyl chloride72482-64-5 3,4-Difluorobenzoyl chloride76903-88-3

Elsewhere

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