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CAS 816449-70-4

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Benzoic acid, 2-fluoro-5-(hydroxymethyl)-, methyl ester

Description:
Benzoic acid, 2-fluoro-5-(hydroxymethyl)-, methyl ester, identified by CAS number 816449-70-4, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a fluorine atom at the 2-position and a hydroxymethyl group at the 5-position of the benzene ring, contributing to its unique chemical properties. The presence of the methyl ester group enhances its solubility in organic solvents and may influence its reactivity in various chemical reactions. Typically, compounds of this nature exhibit moderate polarity due to the combination of hydrophobic aromatic and hydrophilic functional groups. They may also demonstrate biological activity, making them of interest in pharmaceutical and agrochemical research. The fluorine substituent can impart distinct electronic effects, potentially affecting the compound's acidity and reactivity. Overall, this compound's structure suggests it may be useful in synthetic applications or as an intermediate in the production of more complex molecules.
Formula:C9H9FO3
InChI:InChI=1S/C9H9FO3/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4,11H,5H2,1H3
InChI key:InChIKey=FSVTUPRXRNTWFV-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(CO)=CC=C1F
Synonyms:
  • Methyl 2-fluoro-5-(hydroxymethyl)benzoate
  • Benzoic acid, 2-fluoro-5-(hydroxymethyl)-, methyl ester
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