Base information
| Cat. No. | |
| CAS No. | 850197-45-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrN2 |
| Molecular Weight | 225.085 |
| Exact Mass | 223.995 |
| XLogP3 | 2.64528 |
| Mr | 50.956 |
| PSA | 36.68 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC(c1ccc(nc1)Br)(C)C |
