Base information
| Cat. No. | |
| CAS No. | 111454-69-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8BrN3 |
| Molecular Weight | 202.052 |
| Exact Mass | 200.99 |
| XLogP3 | 1.7439 |
| Mr | 43.8447 |
| PSA | 37.81 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCNc1ccc(nn1)Br |
