Base information
| Cat. No. | |
| CAS No. | 94107-39-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H14BrNO3 |
| Molecular Weight | 300.148 |
| Exact Mass | 299.016 |
| XLogP3 | 1.9728 |
| Mr | 68.0865 |
| PSA | 66.4 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC(C(=O)N[C@H](C(=O)O)Cc1ccccc1)Br |
