Base information
| Cat. No. | |
| CAS No. | 1217739-11-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14BrNO4 |
| Molecular Weight | 316.148 |
| Exact Mass | 315.011 |
| XLogP3 | 2.1947 |
| Mr | 69.394 |
| PSA | 100.62 |
| Sequence | - |
| Atom number | 32 |
| Bond number | 32 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | N[C@@H](C(=O)O)C[C@H](C(=O)O)Cc1ccc(cc1)Br |
