chempirical

4-Fluoro-2-hydroxybenzoic acid

C7H5FO3CAS 345-29-9156.11 g/mol

Open in Covalent MOL file
OHOFHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H5FO3
Molar mass
156.11 g/mol
Exact mass
156.0223 Da
Melting point
180 °C
logP
1.23Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
345-29-9
SMILES
O=C(O)c1ccc(F)cc1O
InChIKey
TTZOLDXHOCCNMF-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 4-fluoro-2-hydroxy-
  • Salicylic acid, 4-fluoro-
  • 4-Fluorosalicylic acid
  • NSC 109099
  • 4-Fluoro-2-hydroxybenzenecarboxylic acid

Work with 4-Fluoro-2-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

2,4-Difluorobenzoic acid1583-58-066 % similar 2-Amino-4-fluorobenzoic acid446-32-264 % similar 2,4-Dihydroxybenzoic acid89-86-163 % similar 2-Bromo-4-fluorobenzoic acid1006-41-362 % similar 1-(4-Fluoro-2-hydroxyphenyl)ethanone1481-27-262 % similar 2-Chloro-4-fluorobenzoic acid2252-51-962 % similar 2,5-Difluorobenzoic acid2991-28-861 % similar Diflunisal22494-42-460 % similar

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

Same formula

5-Fluorosalicylic acid345-16-4 3-Fluoro-4-hydroxybenzoic acid350-29-8 2-Fluoro-5-hydroxybenzoic acid51446-30-1 2-Fluoro-4-hydroxybenzoic acid65145-13-3

Elsewhere

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