Base information
| Cat. No. | |
| CAS No. | 42014-51-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6BrNO4 |
| Molecular Weight | 236.02 |
| Exact Mass | 234.948 |
| XLogP3 | -0.0736 |
| Mr | 45.208 |
| PSA | 63.68 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | BrCC(=O)ON1C(=O)CCC1=O |
