chempirical

2-Fluoro-3-methoxybenzoic acid

C8H7FO3CAS 137654-20-7170.14 g/mol

Open in Covalent MOL file
OFOOH
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
137654-20-7
SMILES
COC1=CC=CC(=C1F)C(=O)O
InChIKey
AVGWCJLTQZQLCN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Work with 2-Fluoro-3-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

2,3-Difluoro-4-methoxybenzoic acid329014-60-074 % similar O-Anisic acid579-75-968 % similar 2,3-Dimethoxybenzoic acid1521-38-667 % similar 3-Methoxysalicylic acid877-22-565 % similar 2-Amino-3-methoxybenzoic acid3177-80-863 % similar 2,6-Dimethoxybenzoic acid1466-76-860 % similar 2,3-Difluorobenzoic acid4519-39-558 % similar 3-Methoxy-2-nitrobenzoic acid4920-80-357 % 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 Methyl 2-fluoro-4-hydroxybenzoate197507-22-5 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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