Base information
| Cat. No. | |
| CAS No. | 1000343-87-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8BrN3 |
| Molecular Weight | 226.073 |
| Exact Mass | 224.99 |
| XLogP3 | 2.7972 |
| Mr | 53.1641 |
| PSA | 54.7 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1nc2[nH]cc(c2cc1Br)N |
