chempirical

2,6-Difluoro-4-hydroxybenzaldehyde

C7H4F2O2CAS 532967-21-8158.10 g/mol

Open in Covalent MOL file
FOFOH
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
532967-21-8
SMILES
C1=C(C=C(C(=C1F)C=O)F)O
InChIKey
ROAQMGJHSNIROA-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-3,11H

Weigh it out

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Work with 2,6-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

2,4,6-Trifluorobenzaldehyde58551-83-062 % similar 4-Chloro-2,6-difluorobenzaldehyde252004-45-857 % similar 4-Bromo-2,6-difluorobenzaldehyde537013-51-757 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-657 % similar 2,4,6-Trihydroxybenzaldehyde487-70-756 % similar 3-Fluoro-5-hydroxy-2-pyridinecarboxaldehyde1227515-00-553 % similar 2,6-Difluorobenzaldehyde437-81-052 % similar 2,6-Dimethyl-4-hydroxybenzaldehyde70547-87-452 % similar

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

Same formula

3,5-Difluoro-4-hydroxybenzaldehyde118276-06-5 2,4-Difluorobenzoic acid1583-58-0 2,2-Difluoro-1,3-benzodioxole1583-59-1 4,5-Difluoro-2-hydroxybenzaldehyde199287-52-0 2,5-Difluorobenzoic acid2991-28-8 2,6-Difluorobenzoic acid385-00-2 2,3-Difluorobenzoic acid4519-39-5 3,5-Difluorobenzoic acid455-40-3

Elsewhere

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