Base information
| Cat. No. | |
| CAS No. | 163564-84-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11BrN2O4 |
| Molecular Weight | 339.141 |
| Exact Mass | 337.99 |
| XLogP3 | 0.2852 |
| Mr | 72.7082 |
| PSA | 86.1 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | Brc1c[nH]c(c1)C(=O)OCC[n+]1cccc(c1)C(=O)[O-] |
