chempirical

2-Fluoro-5-methoxybenzoic acid

C8H7FO3CAS 367-83-9170.14 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

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
367-83-9
SMILES
COC1=CC(=C(C=C1)F)C(=O)O
InChIKey
REDSLTKMNCCQBC-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-5-2-3-7(9)6(4-5)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-5-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

2,5-Dimethoxybenzoic acid2785-98-067 % similar 2-Fluoro-5-(trifluoromethoxy)benzoic acid886497-85-464 % similar 2-Bromo-5-methoxybenzoic acid22921-68-263 % similar 2-Chloro-5-methoxybenzoic acid6280-89-363 % similar 2-Amino-4-methoxybenzoic acid4294-95-562 % similar 2,4-Dimethoxybenzoic acid91-52-162 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-259 % similar 2-Fluoro-5-methylbenzoic acid321-12-059 % 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 Methyl 5-fluoro-2-hydroxybenzoate391-92-4 Methyl 4-fluoro-2-hydroxybenzoate392-04-1 5-Fluoro-2-methoxybenzoic acid394-04-7 2-Fluoro-4-methoxybenzoic acid394-42-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook