Base information
| Cat. No. | |
| CAS No. | 1209289-08-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H4BrN3 |
| Molecular Weight | 198.02 |
| Exact Mass | 196.959 |
| XLogP3 | 1.3838 |
| Mr | 42.0714 |
| PSA | 51.8 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C#Cc1nc(Br)cnc1N |
