Methyl 2-fluoro-6-hydroxybenzoate

C₈H₇FO₃CAS 72373-81-0170.14 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol

Properties

Molecular formula: C₈H₇FO₃
Molar mass: 170.14 g/mol
Exact mass: 170.0379 Da
logP: 1.32Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
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

72373-81-0

SMILES

COC(=O)C1=C(C=CC=C1F)O

InChIKey

ZSIIFQFGYNHHOP-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO3/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,10H,1H3

Weigh it out

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

Work with Methyl 2-fluoro-6-hydroxybenzoate

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

Methyl 2,6-difluorobenzoate13671-00-675 % similar Methyl 2,6-dihydroxybenzoate2150-45-075 % similar 2-Fluoro-6-hydroxybenzoic acid67531-86-657 % similar Methyl 3-fluoro-4-hydroxybenzoate403-01-055 % similar Methyl salicylate119-36-854 % similar Methyl 2-fluorobenzoate394-35-454 % similar Methyl 2,3-dihydroxybenzoate2411-83-854 % similar Methyl 3-hydroxy-2-methylbenzoate55289-05-953 % similar

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

Same formula

3-Fluoro-2-methoxybenzoic acid106428-05-1 2-Fluoro-3-methoxybenzoic acid137654-20-7 2-Fluoro-6-methoxybenzoic acid137654-21-8 Methyl 2-fluoro-4-hydroxybenzoate197507-22-5 2-Fluoro-5-methoxybenzoic acid367-83-9 Methyl 5-fluoro-2-hydroxybenzoate391-92-4 Methyl 4-fluoro-2-hydroxybenzoate392-04-1 5-Fluoro-2-methoxybenzoic acid394-04-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook