Base information
| Cat. No. | |
| CAS No. | 100487-82-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrNO4 |
| Molecular Weight | 274.068 |
| Exact Mass | 272.964 |
| XLogP3 | 2.596 |
| Mr | 58.829 |
| PSA | 72.12 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)Cc1ccc(cc1[N+](=O)[O-])Br |
