Base information
| Cat. No. | |
| CAS No. | 1253789-47-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrN3 |
| Molecular Weight | 226.073 |
| Exact Mass | 224.99 |
| XLogP3 | 2.0542 |
| Mr | 50.46 |
| PSA | 30.19 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CCc1nnc2n1cc(Br)cc2 |
