Base information
| Cat. No. | |
| CAS No. | 1352537-99-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrN3 |
| Molecular Weight | 236.068 |
| Exact Mass | 234.975 |
| XLogP3 | 2.20748 |
| Mr | 53.41 |
| PSA | 41.61 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1nc(c2c1ccc(c2)Br)C#N |
