chempirical

4,5-Difluoro-2-hydroxybenzaldehyde

C7H4F2O2CAS 199287-52-0158.10 g/mol

Open in Covalent MOL file
FFOHO
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
199287-52-0
SMILES
C1=C(C(=CC(=C1F)F)O)C=O
InChIKey
HRLWPXGNZQEUHM-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-3,11H

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

Names and synonyms

1 names
  • Benzaldehyde, 4,5-difluoro-2-hydroxy- (9ci)

Work with 4,5-Difluoro-2-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

2,5-Difluoro-4-hydroxybenzaldehyde918523-99-674 % similar 2,4,5-Trifluorobenzaldehyde165047-24-562 % similar 2,4,5-Trihydroxybenzaldehyde35094-87-262 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-655 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-050 % similar 2,4-Dihydroxybenzaldehyde95-01-250 % similar 2,5-Dihydroxybenzaldehyde1194-98-548 % similar 2,4-Difluorobenzaldehyde1550-35-248 % 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 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

Elsewhere

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