3,4-Difluorobenzaldehyde

C₇H₄F₂OCAS 34036-07-2142.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄F₂O
Molar mass: 142.10 g/mol
Exact mass: 142.0230 Da
logP: 1.78Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

34036-07-2

SMILES

O=Cc1ccc(F)c(F)c1

InChIKey

JPHKMYXKNKLNDF-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 3,4-difluoro-

Work with 3,4-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

3-Fluoro-4-iodobenzaldehyde1003709-57-664 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-564 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-664 % similar 3-Chloro-4-fluorobenzaldehyde34328-61-564 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-064 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-764 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-964 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-563 % similar

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

Same formula

2,4-Difluorobenzaldehyde1550-35-2 2,3-Difluorobenzaldehyde2646-91-5 3,5-Difluorobenzaldehyde32085-88-4 2,6-Difluorobenzaldehyde437-81-0

Elsewhere

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