Base information
| Cat. No. | |
| CAS No. | 1609646-56-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H5BrNO3+ |
| Molecular Weight | 219.013 |
| Exact Mass | 217.945 |
| XLogP3 | 0.9834 |
| Mr | 46.6568 |
| PSA | 57.38 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C1=CC=CC([N+]1=O)Br |
