Base information
| Cat. No. | |
| CAS No. | 474708-98-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4BrN3 |
| Molecular Weight | 222.041 |
| Exact Mass | 220.959 |
| XLogP3 | 1.96848 |
| Mr | 47.607 |
| PSA | 41.09 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1cnc2n1cc(Br)cc2 |
