Base information
| Cat. No. | |
| CAS No. | 2646-26-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8BrN3O |
| Molecular Weight | 230.062 |
| Exact Mass | 228.985 |
| XLogP3 | 2.6085 |
| Mr | 49.5458 |
| PSA | 67.15 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | NNC(=O)Nc1ccc(cc1)Br |
