Base information
| Cat. No. | |
| CAS No. | 1246552-73-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6BrN3O |
| Molecular Weight | 228.046 |
| Exact Mass | 226.969 |
| XLogP3 | 1.5004 |
| Mr | 47.179 |
| PSA | 39.42 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1ccc2n(n1)ncc2Br |
