| Catalog Number | ACM76003764 |
| CAS | 76003-76-4 |
| IUPAC Name | methyl 1-benzyltriazole-4-carboxylate |
| Synonyms | methyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate;76003-76-4;methyl 1-benzyltriazole-4-carboxylate;CHEMBL402277;SCHEMBL1719412;MFCD03084464;ZINC26544726;AKOS004115266;MCULE-1896137195;NE43565;AS-66694;SY023227;Methyl 1-benzyl-1H-[1,2,3]triazol-4-carboxylate;F2157-0793;Z379686588;1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid methyl ester |
| Molecular Weight | 217.22g/mol |
| Molecular Formula | C11H11N3O2 |
| Canonical SMILES | COC(=O)C1=CN(N=N1)CC2=CC=CC=C2 |
| 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 |
| InChI Key | HXGLNRKZOVMAQC-UHFFFAOYSA-N |
| Complexity | 241 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 217.085126602g/mol |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Monoisotopic Mass | 217.085126602g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 57Ų |
| X Log P3 | 1.5 |