Base information
| Cat. No. | |
| CAS No. | 111083-32-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12BrNO2 |
| Molecular Weight | 282.133 |
| Exact Mass | 281.005 |
| XLogP3 | 3.0703 |
| Mr | 67.7455 |
| PSA | 31.23 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc2c(cc1Br)n(c(c2C=O)C)C |
