Base information
| Cat. No. | |
| CAS No. | 4269-17-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H7BrO |
| Molecular Weight | 259.098 |
| Exact Mass | 257.968 |
| XLogP3 | 3.6605 |
| Mr | 63.0105 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 24 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Brc1cccc2c1-c1ccccc1C2=O |
