ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8011-3940 |
| Compound Name: | ethyl 1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 310.15 |
| Molecular Formula: | C12 H12 Br N3 O2 |
| Smiles: | CCOC(c1c(C)n(c2ccc(cc2)[Br])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7563 |
| logD: | 2.7563 |
| logSw: | -2.6487 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.835 |
| InChI Key: | XINJEGKIOUNNCJ-UHFFFAOYSA-N |