Base information
| Cat. No. | |
| CAS No. | 53413-67-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10BrNO4 |
| Molecular Weight | 276.084 |
| Exact Mass | 274.979 |
| XLogP3 | 3.0301 |
| Mr | 61.084 |
| PSA | 64.28 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 25 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc([N+](=O)[O-])c(cc1OC)CBr |
