Base information
| Cat. No. | |
| CAS No. | 139515-86-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrNO3 |
| Molecular Weight | 258.069 |
| Exact Mass | 256.969 |
| XLogP3 | 3.0748 |
| Mr | 57.612 |
| PSA | 66.05 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Brc1cc2CCCc2c(c1O)[N+](=O)[O-] |
