4-(1H-tetrazol-1-yl)phenyl 4-bromobenzoate
Chemical Structure Depiction of
4-(1H-tetrazol-1-yl)phenyl 4-bromobenzoate
4-(1H-tetrazol-1-yl)phenyl 4-bromobenzoate
Compound characteristics
| Compound ID: | D453-0559 |
| Compound Name: | 4-(1H-tetrazol-1-yl)phenyl 4-bromobenzoate |
| Molecular Weight: | 345.15 |
| Molecular Formula: | C14 H9 Br N4 O2 |
| Smiles: | c1cc(ccc1C(=O)Oc1ccc(cc1)n1cnnn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.3811 |
| logD: | 3.3811 |
| logSw: | -3.6196 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.382 |
| InChI Key: | VRVDCAFJKBKLQE-UHFFFAOYSA-N |