Base information
| Cat. No. | |
| CAS No. | 138642-47-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNO |
| Molecular Weight | 212.043 |
| Exact Mass | 210.963 |
| XLogP3 | 2.32938 |
| Mr | 45.349 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(c(c1)C#N)Br |
