3-Fluoro-4-hydroxybenzaldehyde

C₇H₅FO₂CAS 405-05-0140.11 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

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

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 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-557 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-656 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-656 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-856 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-4-hydroxybenzaldehyde348-27-6 2-Fluorobenzoic acid445-29-4 3-Fluorobenzoic acid455-38-9 4-Fluorobenzoic acid456-22-4

Elsewhere

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