chempirical

5-Fluoro-2-methoxybenzoic acid

C8H7FO3CAS 394-04-7170.14 g/mol

Open in Covalent MOL file
OFOHO
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H7FO3
Molar mass
170.14 g/mol
Exact mass
170.0379 Da
logP
1.53Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
394-04-7
SMILES
COC1=C(C=C(C=C1)F)C(=O)O
InChIKey
WPXFJBPJUGMYOD-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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Work with 5-Fluoro-2-methoxybenzoic 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-Fluoro-2-methoxybenzoic acid395-82-477 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-167 % similar 2,5-Dimethoxybenzoic acid2785-98-067 % similar 2-Methoxy-5-methylbenzoic acid25045-36-765 % similar 5-Fluoro-2-methoxyacetophenone445-82-965 % similar 5-Bromo-2-methoxybenzoic acid2476-35-963 % similar 5-Chloro-2-methoxybenzoic acid3438-16-263 % similar 4-Fluorophthalic acid320-97-862 % 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 2-Fluoro-4-methoxybenzoic acid394-42-3

Elsewhere

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