Base information
| Cat. No. | |
| CAS No. | 1458-20-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7BrN4O2 |
| Molecular Weight | 247.049 |
| Exact Mass | 245.975 |
| XLogP3 | 1.3525 |
| Mr | 49.8203 |
| PSA | 104.12 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1nc(Br)c(nc1N)N |
