Base information
| Cat. No. | |
| CAS No. | 77556-27-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrN3 |
| Molecular Weight | 224.057 |
| Exact Mass | 222.975 |
| XLogP3 | 2.0298 |
| Mr | 49.059 |
| PSA | 30.71 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cnn(c1)c1ccccn1 |
