chempirical

3,5-Difluoro-4-hydroxybenzaldehyde

C7H4F2O2CAS 118276-06-5158.10 g/mol

Open in Covalent MOL file
FHOFO
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H4F2O2
Molar mass
158.10 g/mol
Exact mass
158.0179 Da
logP
1.48Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
118276-06-5
SMILES
C1=C(C=C(C(=C1F)O)F)C=O
InChIKey
SKOYTQILPMNZQO-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H

Weigh it out

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

Work with 3,5-Difluoro-4-hydroxybenzaldehyde

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-hydroxy-5-methoxybenzaldehyde79418-78-366 % similar 3,4,5-Trifluorobenzaldehyde132123-54-762 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-057 % similar 2,4,6-Trifluorophenol2268-17-956 % similar 3,4,5-Trihydroxybenzaldehyde13677-79-756 % similar 3,5-Difluorobenzaldehyde32085-88-454 % similar 3,4-Difluorobenzaldehyde34036-07-254 % similar 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-952 % similar

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

Same formula

2,4-Difluorobenzoic acid1583-58-0 2,2-Difluoro-1,3-benzodioxole1583-59-1 2,5-Difluorobenzoic acid2991-28-8 2,6-Difluorobenzoic acid385-00-2 2,3-Difluorobenzoic acid4519-39-5 3,5-Difluorobenzoic acid455-40-3 3,4-Difluorobenzoic acid455-86-7 2,5-Difluoro-4-hydroxybenzaldehyde918523-99-6

Elsewhere

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