Base information
| Cat. No. | |
| CAS No. | 850363-68-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrN2O |
| Molecular Weight | 241.085 |
| Exact Mass | 239.99 |
| XLogP3 | 2.7241 |
| Mr | 55.0927 |
| PSA | 37.91 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CCOc1c(Br)ccc2c1cn[nH]2 |
