Base information
| Cat. No. | |
| CAS No. | 402848-99-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11BrN2O4 |
| Molecular Weight | 291.099 |
| Exact Mass | 289.99 |
| XLogP3 | 1.0823 |
| Mr | 61.2247 |
| PSA | 81.16 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 27 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]c(=O)n(cc1Br)C(=O)OC(C)(C)C |
