3-Fluoro-4-hydroxy-5-methoxybenzaldehyde

C8H7FO3CAS 79418-78-3170.14 g/mol

Open in Covalent MOL file
OOFHO
AldehydeAryl halideEtherPhenol

Properties

Molecular formula
C8H7FO3
Molar mass
170.14 g/mol
Exact mass
170.0379 Da
logP
1.35Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
79418-78-3
SMILES
COc1cc(C=O)cc(F)c1O
InChIKey
OOGOFUKAJDPHDJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzaldehyde, 3-fluoro-4-hydroxy-5-methoxy-
  • 5-Fluorovanillin
  • 5-Fluoro-4-hydroxy-3-methoxybenzaldehyde
  • 3-Fluoro-5-methoxy-4-hydroxybenzaldehyde

Work with 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde

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

Syringaldehyde134-96-375 % similar 3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-067 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-566 % similar 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-063 % similar 5-Bromovanillin2973-76-463 % similar 4-Hydroxy-3-iodo-5-methoxybenzaldehyde5438-36-863 % similar 3,5-Difluoro-4-methoxybenzaldehyde654-11-560 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-2-methoxybenzoic acid106428-05-1 2-Fluoro-3-methoxybenzoic acid137654-20-7 2-Fluoro-6-methoxybenzoic acid137654-21-8 Methyl 2-fluoro-4-hydroxybenzoate197507-22-5 2-Fluoro-5-methoxybenzoic acid367-83-9 Methyl 5-fluoro-2-hydroxybenzoate391-92-4 Methyl 4-fluorosalicylate392-04-1 5-Fluoro-2-methoxybenzoic acid394-04-7

Elsewhere

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