Base information
| Cat. No. | |
| CAS No. | 1218997-22-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8BrN3 |
| Molecular Weight | 202.052 |
| Exact Mass | 200.99 |
| XLogP3 | 2.1222 |
| Mr | 45.6471 |
| PSA | 50.94 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CNc1cnc(cc1N)Br |
