5-Fluorosalicylic acid

C₇H₅FO₃CAS 345-16-4156.11 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: 178.5–179.5 °C
logP: 1.23Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

345-16-4

SMILES

O=C(O)c1cc(F)ccc1O

InChIKey

JWPRICQKUNODPZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/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, 5-fluoro-2-hydroxy-
Salicylic acid, 5-fluoro-
5-Fluoro-2-hydroxybenzoic acid
2-Hydroxy-5-fluorobenzoic acid
NSC 46619

Work with 5-Fluorosalicylic 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

Diflunisal22494-42-468 % similar 2,5-Difluorobenzoic acid2991-28-866 % similar Gentisic acid490-79-963 % similar 4-Hydroxyisophthalic acid636-46-463 % similar 2-Chloro-5-fluorobenzoic acid2252-50-862 % similar 5-Fluoro-2-methylbenzoic acid33184-16-662 % similar 2-Bromo-5-fluorobenzoic acid394-28-562 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-162 % similar

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

Same formula

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

Elsewhere

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