dimethyl 1-(3-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(3-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-(3-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0276 |
| Compound Name: | dimethyl 1-(3-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 309.71 |
| Molecular Formula: | C13 H12 Cl N3 O4 |
| Smiles: | Cc1c(cccc1[Cl])n1c(C(=O)OC)c(C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.4053 |
| logD: | 2.4053 |
| logSw: | -2.8009 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.158 |
| InChI Key: | ORAWWIMBMQKOJH-UHFFFAOYSA-N |