2-Fluoro-4-hydroxybenzoic acid

C₇H₅FO₃CAS 65145-13-3156.11 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: 200–202 °C
logP: 1.23Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed25% of notifiers
H315 Causes skin irritation75% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65145-13-3

SMILES

O=C(O)c1ccc(O)cc1F

InChIKey

NXWTWYULZRDBSA-UHFFFAOYSA-N

InChI

InChI=1S/C7H5FO3/c8-6-3-4(9)1-2-5(6)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

2 names

Benzoic acid, 2-fluoro-4-hydroxy-
4-Hydroxy-2-fluorobenzoic acid

Work with 2-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

4-Bromo-2-fluorobenzoic acid112704-79-767 % similar 4-Hydroxyphthalic acid610-35-567 % similar 2,4-Difluorobenzoic acid1583-58-066 % similar 2,4-Dihydroxybenzoic acid89-86-163 % similar 2-Fluoro-4-iodobenzoic acid124700-40-962 % similar 4-Chloro-2-fluorobenzoic acid446-30-062 % similar 4-Amino-2-fluorobenzoic acid446-31-162 % similar 2-Fluoro-4-methylbenzoic acid7697-23-662 % 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-6-hydroxybenzoic acid67531-86-6

Elsewhere

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