methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate
Chemical Structure Depiction of
methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate
methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate
Compound characteristics
| Compound ID: | 8020-5382 |
| Compound Name: | methyl 3-bromo-1H-1,2,4-triazole-5-carboxylate |
| Molecular Weight: | 205.99 |
| Molecular Formula: | C4 H4 Br N3 O2 |
| Smiles: | COC(c1nc(n[nH]1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8219 |
| logD: | 0.6745 |
| logSw: | -0.7588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.169 |
| InChI Key: | GRIBRWPXKUMRDX-UHFFFAOYSA-N |