chempirical

Methyl 4-fluoro-2-hydroxybenzoate

C8H7FO3CAS 392-04-1170.14 g/mol

Open in Covalent MOL file
OOFHO
Aryl halideEsterPhenol

Properties

Molecular formula
C8H7FO3
Molar mass
170.14 g/mol
Exact mass
170.0379 Da
Melting point
42 °C
logP
1.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
392-04-1
SMILES
COC(=O)c1ccc(F)cc1O
InChIKey
WPWUDDDJTIZBGL-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,1H3

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

Names and synonyms

3 names
  • Benzoic acid, 4-fluoro-2-hydroxy-, methyl ester
  • Salicylic acid, 4-fluoro-, methyl ester
  • 4-Fluoro-2-hydroxybenzoic acid methyl ester

Work with Methyl 4-fluoro-2-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 2,4-difluorobenzoate106614-28-267 % similar Methyl 2,4-dihydroxybenzoate2150-47-267 % similar Methyl 2-hydroxy-p-toluate4670-56-865 % similar Methyl 2-hydroxy-4-iodobenzoate18179-39-063 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-663 % similar Methyl 4-amino-2-hydroxybenzoate4136-97-463 % similar Methyl 4-methoxysalicylate5446-02-663 % similar 1-Methyl 2-borono-4-fluorobenzoate850568-05-763 % similar

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

Same formula

3-Fluoro-2-methoxybenzoic acid106428-05-1 2-Fluoro-6-methoxybenzoic acid137654-21-8 4-Fluoromandelic acid395-33-5 4-Fluoro-2-methoxybenzoic acid395-82-4 3-Fluoro-4-methoxybenzoic acid403-20-3 4-Fluorophenoxyacetic acid405-79-8 3-Fluoro-4-hydroxybenzeneacetic acid458-09-3 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-3

Elsewhere

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