CAS 76003-76-4

Fórmula: C11H11N3O2

InChI: InChI=1S/C11H11N3O2/c1-16-11(15)10-8-14(13-12-10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

Clave InChI: HXGLNRKZOVMAQC-UHFFFAOYSA-N

SMILES: COC(=O)C1=CN(N=N1)CC2=CC=CC=C2

Methyl 1-Benzyl-1H-1,2,3-triazole-4-carboxylate

CAS: 76003-76-4

Methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate is a functional molecule that has the potential to be used in the development of new drugs. It is a triazole molecule that has been shown to have an A+B type structure. The methyl group and the benzyl group are both electron donating groups. The methyl group is localized on the benzene ring and it has a negative charge due to its electronegativity. The benzyl group is more electronegative than the methyl group and it can act as a good leaving group because of its dipole. This molecule has an infrared absorption band at 3270 cm−1 and uv absorption bands at 220 nm, 247 nm, and 311 nm.

Fórmula: C₁₁H₁₁N₃O₂

Pureza: Min. 95%

Peso molecular: 217.22 g/mol

Ref: 3D-BDA00376