| Catalog Number | ACMA00022608 |
| IUPAC Name | ethyl 1-benzyltriazole-4-carboxylate |
| Synonyms | ethyl 1-benzyl-1H-1,2,3-triazole-4-carboxylate;ethyl 1-benzyltriazole-4-carboxylate;MLS000699087;126800-24-6;SMR000229779;SCHEMBL893141;cid_849722;CHEMBL1299229;BDBM45574;1-benzyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester;HMS2521K23;ZINC384277;AKOS026679516;MCULE-1668343026;1-benzyltriazole-4-carboxylic acid ethyl ester;1-(phenylmethyl)-4-triazolecarboxylic acid ethyl ester;ethyl 1-(phenylmethyl)-1,2,3-triazole-4-carboxylate;F1907-2585;Z379686586;1-Benzyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester |
| Molecular Weight | 231.25g/mol |
| Molecular Formula | C12H13N3O2 |
| Canonical SMILES | CCOC(=O)C1=CN(N=N1)CC2=CC=CC=C2 |
| InChI | InChI=1S/C12H13N3O2/c1-2-17-12(16)11-9-15(14-13-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3 |
| InChI Key | CATUHLOREXQBLO-UHFFFAOYSA-N |
| Complexity | 254 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 231.100776666g/mol |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Monoisotopic Mass | 231.100776666g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 57Ų |
| X Log P3 | 1.8 |