dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Compound characteristics
| Compound ID: | C337-0287 |
| Compound Name: | dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate |
| Molecular Weight: | 313.67 |
| Molecular Formula: | C12 H9 Cl F N3 O4 |
| Smiles: | COC(c1c(C(=O)OC)n(c2ccc(c(c2)[Cl])F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9628 |
| logD: | 1.9628 |
| logSw: | -2.7983 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.459 |
| InChI Key: | CDTQPIROJRNJKW-UHFFFAOYSA-N |