chempirical

Methyl 5-fluoro-2-hydroxybenzoate

C8H7FO3CAS 391-92-4170.14 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
logP
1.32Crippen estimate
Polar surface area
46.5 Ų
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
391-92-4
SMILES
COC(=O)C1=C(C=CC(=C1)F)O
InChIKey
DGHBWVVOJLVMFF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3

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Work with Methyl 5-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 2,5-dihydroxybenzoate2150-46-167 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-067 % similar Methyl 5-methylsalicylate22717-57-365 % similar Methyl 5-methoxysalicylate2905-82-063 % similar Methyl 2-amino-5-fluorobenzoate319-24-463 % similar Methyl 5-iodosalicylate4068-75-163 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-263 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-463 % 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 4-fluoro-2-hydroxybenzoate392-04-1 5-Fluoro-2-methoxybenzoic acid394-04-7 2-Fluoro-4-methoxybenzoic acid394-42-3

Elsewhere

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