Base information
| Cat. No. | |
| CAS No. | 72218-68-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11BrN2O5 |
| Molecular Weight | 307.098 |
| Exact Mass | 305.985 |
| XLogP3 | -1.4493 |
| Mr | 60.9773 |
| PSA | 104.55 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)Br)n1ccc(=O)[nH]c1=O |
