HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-1-oxo-1lambda~5~,2,4-triazine
Identifiers & Physical Properties
| CAS No. | 63197-08-0 |
|---|---|
| Molecular formula | C3H2BrN3O |
| Average molar mass | 175.97 g/mol |
| Monoisotopic mass | 174.93812 g/mol |
| SMILES | [O-][n+]1ccnc(Br)n1 |
| InChIKey | ZUKUGPZJPQFHQS-UHFFFAOYSA-N |
| PubChem CID | 12377841 |
| DTXSID | DTXSID00495235 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 51.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 80.9 |