Base information
| Cat. No. | |
| CAS No. | 127413-59-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNO3 |
| Molecular Weight | 244.042 |
| Exact Mass | 242.953 |
| XLogP3 | 3.0831 |
| Mr | 53.1585 |
| PSA | 62.89 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1cc(cc(c1)C(=O)C)[N+](=O)[O-] |
