Base information
| Cat. No. | |
| CAS No. | 139058-18-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14BrNO3 |
| Molecular Weight | 300.148 |
| Exact Mass | 299.016 |
| XLogP3 | 3.2049 |
| Mr | 69.575 |
| PSA | 66.4 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(C(C)(C)C)Nc1ccc(cc1Br)C(=O)O |
