Base information
| Cat. No. | |
| CAS No. | 681441-17-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrN3 |
| Molecular Weight | 238.084 |
| Exact Mass | 236.99 |
| XLogP3 | 2.7982 |
| Mr | 55.6684 |
| PSA | 43.84 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(cc1)n1ncc(c1)Br |
