Base information
| Cat. No. | |
| CAS No. | 120040-42-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5BrN4O |
| Molecular Weight | 241.045 |
| Exact Mass | 239.965 |
| XLogP3 | 1.244 |
| Mr | 52.2631 |
| PSA | 84.66 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cnc2c(c1)c(=O)[nH]c(n2)N |
