Base information
| Cat. No. | |
| CAS No. | 1272755-87-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13BrN2O |
| Molecular Weight | 281.148 |
| Exact Mass | 280.021 |
| XLogP3 | 2.7474 |
| Mr | 72.5864 |
| PSA | 41.13 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 31 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1NC2(NC1c1cccc(c1)Br)CCC2 |
