3-Fluorosalicylaldehyde

C7H5FO2CAS 394-50-3140.11 g/mol

Open in Covalent MOL file
FOHO
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H5FO2
Molar mass
140.11 g/mol
Exact mass
140.0274 Da
logP
1.34Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 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
394-50-3
SMILES
C1=CC(=C(C(=C1)F)O)C=O
InChIKey
NWDHTEIVMDYWQJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO2/c8-6-3-1-2-5(4-9)7(6)10/h1-4,10H

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Names and synonyms

1 names
  • 3-Fluoro-2-hydroxybenzaldehyde

Work with 3-Fluorosalicylaldehyde

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-Fluorobenzaldehyde446-52-661 % similar 2,3-Dihydroxybenzaldehyde24677-78-960 % similar 2,3-Difluorobenzaldehyde2646-91-560 % similar 3-Bromo-2-hydroxybenzaldehyde1829-34-158 % similar 3-Chloro-2-hydroxy-benzaldehyde1927-94-258 % similar 2-Chloro-3-fluorobenzaldehyde96516-31-358 % similar 2,6-Difluorophenol28177-48-258 % similar 3-Fluoro-2-methylbenzaldehyde147624-13-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Fluorosalicylaldehyde347-54-6 2-Fluoro-4-hydroxybenzaldehyde348-27-6 4-Fluoro-2-hydroxybenzaldehyde348-28-7 6-Fluorosalicylaldehyde38226-10-7 3-Fluoro-4-hydroxybenzaldehyde405-05-0 2-Fluorobenzoic acid445-29-4 3-Fluorobenzoic acid455-38-9 4-Fluorobenzoic acid456-22-4

Elsewhere

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