2-Fluoro-6-hydroxybenzoic acid

C₇H₅FO₃CAS 67531-86-6156.11 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

67531-86-6

SMILES

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

InChIKey

BCEKGWWLVKXZKK-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 2-Fluoro-6-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

2,6-Difluorobenzoic acid385-00-275 % similar 2,6-Dihydroxybenzoic acid303-07-171 % similar 3-Fluorophthalic acid1583-67-166 % similar 2-Bromo-6-fluorobenzoic acid2252-37-164 % similar 2-Chloro-6-fluorobenzoic acid434-75-364 % similar 3,6-Difluorophthalic acid651-97-862 % similar 2-Fluoro-6-iodobenzoic acid111771-08-562 % similar 2-Amino-6-fluorobenzoic acid434-76-462 % 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 4-Fluoro-3-hydroxybenzoic acid51446-31-2 2-Fluoro-4-hydroxybenzoic acid65145-13-3

Elsewhere

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