Base information
| Cat. No. | |
| CAS No. | 452365-99-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16BrNO |
| Molecular Weight | 282.176 |
| Exact Mass | 281.042 |
| XLogP3 | 4.0409 |
| Mr | 70.3757 |
| PSA | 29.1 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 33 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(C1CCCCC1)Nc1cccc(c1)Br |
