HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Bromo-4-methoxybenzoxazole
Identifiers & Physical Properties
| Molecular formula | C8H6BrNO2 |
|---|---|
| Average molar mass | 228.04 g/mol |
| Monoisotopic mass | 226.95819 g/mol |
| SMILES | COc1ccc(Br)c2ocnc12 |
| InChIKey | BZYINORWCAPKQT-UHFFFAOYSA-N |
| PubChem CID | 18316640 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 35.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 167 |