Base information
| Cat. No. | |
| CAS No. | 1017782-09-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrN3O3 |
| Molecular Weight | 248.034 |
| Exact Mass | 246.959 |
| XLogP3 | 2.4475 |
| Mr | 51.6554 |
| PSA | 93.96 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1nc(N)c(cc1Br)[N+](=O)[O-] |
