Base information
| Cat. No. | |
| CAS No. | 496790-62-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H18BrNO3 |
| Molecular Weight | 316.191 |
| Exact Mass | 315.047 |
| XLogP3 | 3.3981 |
| Mr | 73.6255 |
| PSA | 58.56 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 36 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)NCC(c1ccccc1Br)O |
