Base information
| Cat. No. | |
| CAS No. | 101860-83-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8BrNO3 |
| Molecular Weight | 258.069 |
| Exact Mass | 256.969 |
| XLogP3 | 3.4732 |
| Mr | 57.9655 |
| PSA | 62.89 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCC(=O)c1ccc(c(c1)[N+](=O)[O-])Br |
