3-Fluorobenzoic acid methyl ester

CAS: 455-68-5

Ref. 3D-FF23421

Product Information

• Name: 3-Fluorobenzoic acid methyl ester
• Synonyms: Methyl 3-fluorobenzoate, Benzoic acid, m-fluoro-, methyl ester, Benzoicacid, m-fluoro-, methyl ester, Methyl m-fluorobenzoate

Description

3-Fluorobenzoic acid methyl ester is a phthalic acid derivative that is used as an arene substitution in biomolecules. It has been shown to have a homologous cavity with benzoate, which may be important for the conformational stability of the molecule. The conformational nature of 3-fluorobenzoic acid methyl ester is related to its crystallography and interaction with other molecules. 3-fluorobenzoic acid methyl ester has been shown to undergo aromatisation, which changes the nature of the molecule. This compound has two isomers: cis and trans.

• Brand: Biosynth

Chemical properties

• Molecular weight: 154.14 g/mol
• Formula: C₈H₇FO₂
• Purity: Min. 95%
• InChI: InChI=1S/C8H7FO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3
• InChI key: InChIKey=YXZNVLYXBIIIOB-UHFFFAOYSA-N
• SMILES: COC(=O)c1cccc(F)c1