chempirical

2-Fluoro-6-methoxybenzoic acid

C8H7FO3CAS 137654-21-8170.14 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
137654-21-8
SMILES
COc1cccc(F)c1C(=O)O
InChIKey
XLNQGZLCGVLNMF-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

3 names
  • Benzoic acid, 2-fluoro-6-methoxy-
  • 6-Fluoro-o-anisic acid
  • 6-Fluoro-2-methoxybenzoic acid

Work with 2-Fluoro-6-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

2,6-Dimethoxybenzoic acid1466-76-875 % similar 2,6-Difluorobenzoic acid385-00-266 % similar 2-Hydroxy-6-methoxybenzoic acid3147-64-665 % similar 2-Methoxy-6-methylbenzoic acid6161-65-565 % similar 3-Fluorophthalic acid1583-67-158 % similar 2-Chloro-6-fluorobenzoic acid434-75-357 % similar 2-Fluoro-6-iodobenzoic acid111771-08-555 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-255 % 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 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 3-Fluoro-4-hydroxybenzeneacetic acid458-09-3

Elsewhere

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