Base information
| Cat. No. | |
| CAS No. | 163452-73-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrN3O |
| Molecular Weight | 228.046 |
| Exact Mass | 226.969 |
| XLogP3 | 1.0241 |
| Mr | 49.3157 |
| PSA | 50.68 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1cnc2c1c(Br)c[nH]c2=O |
