Base information
| Cat. No. | |
| CAS No. | 77744-06-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8BrNO |
| Molecular Weight | 262.102 |
| Exact Mass | 260.979 |
| XLogP3 | 3.0751 |
| Mr | 61.8115 |
| PSA | 29.96 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Brc1ccccc1C(=O)c1cccnc1 |
