Base information
| Cat. No. | |
| CAS No. | 5527-71-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H12ClN3O3 |
| Molecular Weight | 329.738 |
| Exact Mass | 329.057 |
| XLogP3 | 3.0858 |
| Mr | 96.773 |
| PSA | 78.49 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 37 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1Cl |
