Base information
| Cat. No. | |
| CAS No. | 125161-02-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13BrN2O |
| Molecular Weight | 281.148 |
| Exact Mass | 280.021 |
| XLogP3 | 2.7641 |
| Mr | 67.4655 |
| PSA | 48.91 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OCCCc1n[nH]c(c1)c1ccc(cc1)Br |
