Base information
| Cat. No. | |
| CAS No. | 20994-74-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H15BrN2O4 |
| Molecular Weight | 331.163 |
| Exact Mass | 330.022 |
| XLogP3 | 3.2001 |
| Mr | 80.1917 |
| PSA | 84.15 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=C([C@@H]1CCCN1)OCc1ccc(cc1)[N+](=O)[O-].Br |
