HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Bromo-1,3-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium
Identifiers & Physical Properties
| CAS No. | 61851-80-7 |
|---|---|
| Molecular formula | C6H8BrN2O+ |
| Average molar mass | 204.04 g/mol |
| Monoisotopic mass | 202.982 g/mol |
| SMILES | Cn1cc(Br)c[n+](C)c1=O |
| InChIKey | VFJJMENQTVSDAG-UHFFFAOYSA-N |
| PubChem CID | 12371695 |
| DTXSID | DTXSID00494869 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 23.3 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 1 |
| Complexity | 211 |