Base information
| Cat. No. | |
| CAS No. | 74533-21-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H5Br2N |
| Molecular Weight | 274.94 |
| Exact Mass | 272.879 |
| XLogP3 | 3.27768 |
| Mr | 51.364 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1ccc(cc1CC#N)Br |
