Base information
| Cat. No. | |
| CAS No. | 781654-31-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.069 |
| Exact Mass | 240.974 |
| XLogP3 | 2.33798 |
| Mr | 51.841 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C#N)cc(c1OC)Br |
