Base information
| Cat. No. | |
| CAS No. | 754230-78-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11BrN2O |
| Molecular Weight | 279.133 |
| Exact Mass | 278.005 |
| XLogP3 | 3.5865 |
| Mr | 67.3204 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Brc1cnc(c(c1)OCc1ccccc1)N |
