Base information
| Cat. No. | |
| CAS No. | 37-87-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C24H22BrNO9 |
| Molecular Weight | 548.337 |
| Exact Mass | 547.048 |
| XLogP3 | 2.2072 |
| Mr | 127.109 |
| PSA | 154.78 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 60 |
| Ring number | 4 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O |
