Base information
| Cat. No. | |
| CAS No. | 631911-95-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6BrNO4 |
| Molecular Weight | 260.042 |
| Exact Mass | 258.948 |
| XLogP3 | 2.8871 |
| Mr | 54.8893 |
| PSA | 83.12 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cc(C)c(c(c1)C(=O)O)Br |
