Base information
| Cat. No. | |
| CAS No. | 400744-86-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9BrO |
| Molecular Weight | 261.114 |
| Exact Mass | 259.984 |
| XLogP3 | 3.9286 |
| Mr | 64.9655 |
| PSA | 17.07 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cccc(c1)c1cccc(c1)Br |
