Base information
| Cat. No. | |
| CAS No. | 522651-96-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H9BrN2O |
| Molecular Weight | 301.138 |
| Exact Mass | 299.99 |
| XLogP3 | 3.5763 |
| Mr | 73.7155 |
| PSA | 34.37 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c(nc2n1cccc2)c1ccc(cc1)Br |
