2-{3-[2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
Chemical Structure Depiction of
2-{3-[2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
2-{3-[2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol
Compound characteristics
| Compound ID: | 6043-0027 |
| Compound Name: | 2-{3-[2-(4-bromophenyl)ethenyl]-1H-1,2,4-triazol-5-yl}phenol |
| Molecular Weight: | 342.19 |
| Molecular Formula: | C16 H12 Br N3 O |
| Smiles: | C(=C/c1nc(c2ccccc2O)[nH]n1)\c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.0146 |
| logD: | 4.9866 |
| logSw: | -4.0611 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.29 |
| InChI Key: | YTXGMWJOVHBVPJ-UHFFFAOYSA-N |