methyl 2-(5-bromo-1H-1,2,4-triazol-3-yl)benzoate
Chemical Structure Depiction of
methyl 2-(5-bromo-1H-1,2,4-triazol-3-yl)benzoate
methyl 2-(5-bromo-1H-1,2,4-triazol-3-yl)benzoate
Compound characteristics
| Compound ID: | 8020-6047 |
| Compound Name: | methyl 2-(5-bromo-1H-1,2,4-triazol-3-yl)benzoate |
| Molecular Weight: | 282.09 |
| Molecular Formula: | C10 H8 Br N3 O2 |
| Smiles: | COC(c1ccccc1c1nc([nH]n1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2677 |
| logD: | 0.2693 |
| logSw: | -2.801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.897 |
| InChI Key: | URQZPTGFXJLQEU-UHFFFAOYSA-N |