CymitQuimica logo

CAS 1322616-35-2

:

Benzoic acid, 5-fluoro-2-[2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl]-3-nitro-, methyl ester, hydrochloride (1:1)

Description:
Benzoic acid, 5-fluoro-2-[2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl]-3-nitro-, methyl ester, hydrochloride (1:1) is a complex organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety, which contributes to its acidity and potential for forming salts. The presence of a 5-fluoro substituent indicates that it may exhibit altered reactivity and biological activity compared to its non-fluorinated counterparts. The triazole ring suggests potential applications in pharmaceuticals, particularly in antifungal or antimicrobial agents, due to the biological significance of triazole derivatives. The methyl ester group enhances lipophilicity, potentially improving membrane permeability. As a hydrochloride salt, it is likely to be more soluble in water, facilitating its use in various formulations. The nitro group may impart additional reactivity and influence the compound's electronic properties. Overall, this compound's unique structure suggests diverse applications in medicinal chemistry and agrochemicals, although specific biological activities would require further investigation.
Formula:C13H11FN4O5·ClH
InChI:InChI=1S/C13H11FN4O5.ClH/c1-17-11(15-6-16-17)5-10(19)12-8(13(20)23-2)3-7(14)4-9(12)18(21)22;/h3-4,6H,5H2,1-2H3;1H
InChI key:InChIKey=MKZYHPMXDLZFKB-UHFFFAOYSA-N
SMILES:C(CC=1N(C)N=CN1)(=O)C2=C(C(OC)=O)C=C(F)C=C2N(=O)=O.Cl
Synonyms:
  • Benzoic acid, 5-fluoro-2-[2-(1-methyl-1H-1,2,4-triazol-5-yl)acetyl]-3-nitro-, methyl ester, hydrochloride (1:1)
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 3 products.