2,5-Difluoro-4-hydroxybenzaldehyde

C7H4F2O2CAS 918523-99-6158.10 g/mol

Open in Covalent MOL file
OFOHF
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

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
918523-99-6
SMILES
O=Cc1cc(F)c(O)cc1F
InChIKey
FFPHRYLGIPAZBL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H

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Names and synonyms

1 names
  • Benzaldehyde, 2,5-difluoro-4-hydroxy-

Work with 2,5-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

2,4,5-Trifluorobenzaldehyde165047-24-565 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-658 % similar 4-Bromo-2,5-difluorobenzaldehyde357405-75-555 % similar 4-Chloro-2,5-difluorobenzaldehyde879093-02-455 % similar 2,4,5-Trifluorophenol2268-16-854 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-053 % similar 2,5-Dihydroxy-1,4-benzenedicarboxaldehyde1951-36-652 % similar 2,4-Difluorobenzaldehyde1550-35-252 % 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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