Base information
| Cat. No. | |
| CAS No. | 1232424-44-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrNO2 |
| Molecular Weight | 240.053 |
| Exact Mass | 238.958 |
| XLogP3 | 2.10738 |
| Mr | 50.1365 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(c(c1)C#N)Br |
