chempirical

2-(2-Fluoro-4-methoxyphenyl)acetic acid

C9H9FO3CAS 883531-28-0184.17 g/mol

Open in Covalent MOL file
OOOHF
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C9H9FO3
Molar mass
184.17 g/mol
Exact mass
184.0536 Da
logP
1.46Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

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
883531-28-0
SMILES
COC1=CC(=C(C=C1)CC(=O)O)F
InChIKey
WGODSCYEKWDSAV-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO3/c1-13-7-3-2-6(4-9(11)12)8(10)5-7/h2-3,5H,4H2,1H3,(H,11,12)

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Names and synonyms

1 names
  • 2-Fluoro-4-methoxyphenylacetic acid

Work with 2-(2-Fluoro-4-methoxyphenyl)acetic 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-(2,4-Dimethoxyphenyl)acetic acid6496-89-569 % similar 2,6-Difluoro-4-methoxyphenylacetic acid886498-98-267 % similar 2-Bromo-4-methoxybenzeneacetic acid66916-99-266 % similar 2,5-Dimethoxyphenylacetic acid1758-25-465 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-164 % similar 2-Fluoro-4-methylbenzeneacetic acid518070-28-563 % similar 2,4-Difluorophenylacetic acid81228-09-362 % similar (4-Methoxyphenyl)acetic acid104-01-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-(4-Fluorophenoxy)propanoic acid1579-78-8 Methyl 4-fluoro-2-methoxybenzoate204707-42-6 5-Fluoro-2-methoxybenzeneacetic acid383134-85-8 (3-Fluoro-4-methoxyphenyl)acetic acid452-14-2 2-Fluoro-4,5-dimethoxybenzaldehyde71924-62-4

Elsewhere

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