Base information
| Cat. No. | |
| CAS No. | 125328-80-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9BrClNO |
| Molecular Weight | 262.531 |
| Exact Mass | 260.956 |
| XLogP3 | 3.4423 |
| Mr | 58.4307 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Nc1ccc(c(c1C)Cl)Br |
