CAS 832740-22-4

3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid

Description:

3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid is an organic compound characterized by its complex structure, which includes a benzoic acid moiety and a nitrophenoxy group. The presence of the nitro group introduces significant polarity and potential reactivity, while the methyl group can influence the compound's solubility and steric properties. This compound is likely to exhibit acidic behavior due to the carboxylic acid functional group, which can donate protons in solution. Its molecular structure suggests potential applications in pharmaceuticals or agrochemicals, where such functional groups can enhance biological activity or selectivity. The compound's solubility, stability, and reactivity can vary depending on the solvent and environmental conditions. Additionally, the presence of both electron-withdrawing (nitro) and electron-donating (methyl) groups can affect its electronic properties, influencing its interactions with other molecules. Overall, 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid is a compound of interest for further study in various chemical and biological contexts.

Formula: C₁₅H₁₃NO₅

InChI: InChI=1S/C15H13NO5/c1-10-5-6-14(13(7-10)16(19)20)21-9-11-3-2-4-12(8-11)15(17)18/h2-8H,9H2,1H3,(H,17,18)

InChI key: InChIKey=KZVGQSUPPWPZIP-UHFFFAOYSA-N

SMILES: O(CC1=CC(C(O)=O)=CC=C1)C2=C(N(=O)=O)C=C(C)C=C2

Synonyms:

• 3-[(4-Methyl-2-nitrophenoxy)methyl]benzoic acid
• Benzoic acid, 3-[(4-methyl-2-nitrophenoxy)methyl]-