Base information
| Cat. No. | |
| CAS No. | 1199773-86-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9BrN2O |
| Molecular Weight | 277.117 |
| Exact Mass | 275.99 |
| XLogP3 | 3.15068 |
| Mr | 64.297 |
| PSA | 49.82 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | BrCCc1onc(c1)c1ccc(cc1)C#N |
