Base information
| Cat. No. | |
| CAS No. | 77811-44-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7BrN2O2 |
| Molecular Weight | 231.047 |
| Exact Mass | 229.969 |
| XLogP3 | 3.3523 |
| Mr | 52.3344 |
| PSA | 71.84 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(C)c(c(c1)[N+](=O)[O-])N |
