Base information
| Cat. No. | |
| CAS No. | 78156-39-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrNO2 |
| Molecular Weight | 204.021 |
| Exact Mass | 202.958 |
| XLogP3 | 1.8862 |
| Mr | 41.796 |
| PSA | 34.69 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1c[n+]([O-])cc(c1)Br |
