Base information
| Cat. No. | |
| CAS No. | 217093-62-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6BrClN2O |
| Molecular Weight | 273.514 |
| Exact Mass | 271.935 |
| XLogP3 | 3.0543 |
| Mr | 58.74 |
| PSA | 35.01 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc2ncc(nc2cc1Br)Cl |
