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CAS 857284-24-3

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Benzoic acid, 3-(1H-1,2,4-triazol-1-ylmethyl)-, methyl ester

Description:
Benzoic acid, 3-(1H-1,2,4-triazol-1-ylmethyl)-, methyl ester, identified by CAS number 857284-24-3, is an organic compound characterized by its benzoic acid core modified with a triazole moiety. This compound features a methyl ester functional group, which enhances its solubility in organic solvents and may influence its biological activity. The presence of the triazole ring suggests potential applications in pharmaceuticals, particularly as a fungicide or in other agrochemical formulations, due to the triazole's known role in inhibiting fungal growth. The compound is likely to exhibit moderate to high stability under standard conditions, but its reactivity may vary depending on the functional groups present. Additionally, it may display specific interactions with biological targets, making it of interest in medicinal chemistry. Overall, the unique structural features of this compound contribute to its potential utility in various chemical and biological applications.
Formula:C11H11N3O2
InChI:InChI=1S/C11H11N3O2/c1-16-11(15)10-4-2-3-9(5-10)6-14-8-12-7-13-14/h2-5,7-8H,6H2,1H3
InChI key:InChIKey=VVXFDHSFRDDURK-UHFFFAOYSA-N
SMILES:C(C1=CC(C(OC)=O)=CC=C1)N2C=NC=N2
Synonyms:
  • Benzoic acid, 3-(1H-1,2,4-triazol-1-ylmethyl)-, methyl ester
  • Methyl 3-[(1H-1,2,4-triazol-1-yl)methyl]benzoate
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