Base information
| Cat. No. | |
| CAS No. | 1234616-43-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H4BrN3O |
| Molecular Weight | 226.03 |
| Exact Mass | 224.954 |
| XLogP3 | 1.3043 |
| Mr | 46.0745 |
| PSA | 47.26 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cnc2n(c1)ncc2Br |
