Base information
| Cat. No. | |
| CAS No. | 746651-52-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H13Br2NO |
| Molecular Weight | 431.121 |
| Exact Mass | 428.936 |
| XLogP3 | 6.3173 |
| Mr | 102.673 |
| PSA | 14.16 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 39 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)Br)Br |
