4-Fluoro-3-hydroxybenzoic acid

C₇H₅FO₃CAS 51446-31-2156.11 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₅FO₃
Molar mass: 156.11 g/mol
Exact mass: 156.0223 Da
logP: 1.23Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

51446-31-2

SMILES

C1=CC(=C(C=C1C(=O)O)O)F

InChIKey

QATKOZUHTGAWMG-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)

Weigh it out

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Work with 4-Fluoro-3-hydroxybenzoic acid

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

3,4-Difluorobenzoic acid455-86-770 % similar Protocatechuic acid99-50-367 % similar 2-Hydroxyterephthalic acid636-94-263 % similar 3-Bromo-4-fluorobenzoic acid1007-16-562 % similar 3-Amino-4-fluorobenzoic acid2365-85-762 % similar 4-Fluoro-3-methylbenzoic acid403-15-662 % similar 3-Chloro-4-fluorobenzoic acid403-16-762 % similar 4-Bromo-3-hydroxybenzoic acid14348-38-059 % similar

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

Same formula

3-Fluoro-2-hydroxybenzoic acid341-27-5 5-Fluorosalicylic acid345-16-4 4-Fluoro-2-hydroxybenzoic acid345-29-9 3-Fluoro-4-hydroxybenzoic acid350-29-8 2-Fluoro-5-hydroxybenzoic acid51446-30-1 2-Fluoro-4-hydroxybenzoic acid65145-13-3 2-Fluoro-6-hydroxybenzoic acid67531-86-6

Elsewhere

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