3-Fluoro-4-hydroxybenzaldehyde

C7H5FO2CAS 405-05-0140.11 g/mol

Open in Covalent MOL file
OOHF
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H5FO2
Molar mass
140.11 g/mol
Exact mass
140.0274 Da
Melting point
121.1–122.9 °C
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 9 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
405-05-0
SMILES
O=Cc1ccc(O)c(F)c1
InChIKey
QSBHJTCAPWOIIE-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO2/c8-6-3-5(4-9)1-2-7(6)10/h1-4,10H

Weigh it out

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Names and synonyms

2 names
  • 2-Fluoro-4-formylphenol
  • Benzaldehyde, 3-fluoro-4-hydroxy-

Work with 3-Fluoro-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

Protocatechuic aldehyde139-85-564 % similar 3,4-Difluorobenzaldehyde34036-07-264 % similar 4-Hydroxyisophthalaldehyde3328-70-960 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-557 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-656 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 4-Hydroxy-3-methylbenzaldehyde15174-69-356 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-656 % 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-Fluorosalicylaldehyde394-50-3 2-Fluorobenzoic acid445-29-4 3-Fluorobenzoic acid455-38-9 4-Fluorobenzoic acid456-22-4

Elsewhere

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