dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0290 |
| Compound Name: | dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 309.71 |
| Molecular Formula: | C13 H12 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1[Cl])n1c(C(=O)OC)c(C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.6229 |
| logD: | 2.6229 |
| logSw: | -3.1916 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.459 |
| InChI Key: | IRYZEEUCKARBFH-UHFFFAOYSA-N |