Base information
| Cat. No. | |
| CAS No. | 106976-23-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrNO2 |
| Molecular Weight | 240.053 |
| Exact Mass | 238.958 |
| XLogP3 | 2.0303 |
| Mr | 54.8222 |
| PSA | 46.17 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1Nc2c(C1=O)cc(c(c2)C)Br |
