Base information
| Cat. No. | |
| CAS No. | 111196-17-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12BrN3O3 |
| Molecular Weight | 290.114 |
| Exact Mass | 289.006 |
| XLogP3 | 3.1367 |
| Mr | 67.1301 |
| PSA | 100.94 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | NCCC(=O)Nc1ccc(cc1)[N+](=O)[O-].Br |
