chempirical

Methyl 2-fluoro-4-hydroxybenzoate

C8H7FO3CAS 197507-22-5170.14 g/mol

Open in Covalent MOL file
OOOHF
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

Identifiers

CAS number
197507-22-5
SMILES
COC(=O)C1=C(C=C(C=C1)O)F
InChIKey
WYSPMXSNCAFCFV-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3

Weigh it out

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

Work with Methyl 2-fluoro-4-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

Dimethyl 4-hydroxyphthalate22479-95-471 % similar Methyl 2,4-dihydroxybenzoate2150-47-267 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-563 % similar Methyl 2,5-dihydroxybenzoate2150-46-162 % similar 4-Acetyl-3-fluorophenol98619-07-959 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-357 % similar Methylparaben99-76-353 % similar Methyl 3-hydroxybenzoate19438-10-951 % 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 4-fluoro-2-hydroxybenzoate392-04-1 4-Fluoromandelic acid395-33-5 4-Fluoro-2-methoxybenzoic acid395-82-4 3-Fluoro-4-methoxybenzoic acid403-20-3 4-Fluorophenoxyacetic acid405-79-8

Elsewhere

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