Base information
| Cat. No. | |
| CAS No. | 1031417-71-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrN2 |
| Molecular Weight | 225.085 |
| Exact Mass | 223.995 |
| XLogP3 | 2.9422 |
| Mr | 53.7257 |
| PSA | 28.68 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(C)c2c(c1)c(C)n[nH]2 |
