Base information
| Cat. No. | |
| CAS No. | 1822680-43-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrN3O |
| Molecular Weight | 252.067 |
| Exact Mass | 250.969 |
| XLogP3 | 1.97708 |
| Mr | 54.099 |
| PSA | 50.32 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(Br)c2n(c1)ncc2C#N |
