Base information
| Cat. No. | |
| CAS No. | 110837-53-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.617 |
| Exact Mass | 229.014 |
| XLogP3 | 2.5481 |
| Mr | 56.7465 |
| PSA | 72.12 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | ClCCOc1ccc(cc1C=O)[N+](=O)[O-] |
