methyl 5-chloro-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-chloro-1H-1,2,3-triazole-4-carboxylate
methyl 5-chloro-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8015-2079 |
| Compound Name: | methyl 5-chloro-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 161.54 |
| Molecular Formula: | C4 H4 Cl N3 O2 |
| Smiles: | COC(c1c([nH]nn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 0.4247 |
| logD: | -1.5989 |
| logSw: | -1.5271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.723 |
| InChI Key: | FTUOGIDBNRPVFI-UHFFFAOYSA-N |