Base information
| Cat. No. | |
| CAS No. | 2894-61-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H11BrN2O |
| Molecular Weight | 315.165 |
| Exact Mass | 314.005 |
| XLogP3 | 2.8122 |
| Mr | 85.7397 |
| PSA | 41.46 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 32 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1CN=C(c2c(N1)ccc(c2)Br)c1ccccc1 |
