3-Fluoro-4-hydroxybenzoic acid

C₇H₅FO₃CAS 350-29-8156.11 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
Melting point: 160–161 °C
logP: 1.23Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

350-29-8

SMILES

O=C(O)c1ccc(O)c(F)c1

InChIKey

IUSDEKNMCOUBEE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 3-fluoro-4-hydroxy-
4-Hydroxy-3-fluorobenzoic acid
5-Fluoro-4-hydroxybenzoic acid

Work with 3-Fluoro-4-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 4-Hydroxyisophthalic acid636-46-463 % similar 4-Bromo-3-fluorobenzoic acid153556-42-462 % similar 3-Fluoro-4-methylbenzoic acid350-28-762 % similar 4-Chloro-3-fluorobenzoic acid403-17-862 % similar 4-Amino-3-fluorobenzoic acid455-87-862 % similar 3-Bromo-4-hydroxybenzoic acid14348-41-559 % similar

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

Same formula

5-Fluorosalicylic acid345-16-4 4-Fluoro-2-hydroxybenzoic acid345-29-9 2-Fluoro-5-hydroxybenzoic acid51446-30-1 2-Fluoro-4-hydroxybenzoic acid65145-13-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook