Base information
| Cat. No. | |
| CAS No. | 1333400-84-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16BrNO4 |
| Molecular Weight | 330.174 |
| Exact Mass | 329.026 |
| XLogP3 | 3.5629 |
| Mr | 74.616 |
| PSA | 75.63 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)NCc1ccc(cc1Br)C(=O)O |
