Base information
| Cat. No. | |
| CAS No. | 1538920-14-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8ClNO4 |
| Molecular Weight | 229.617 |
| Exact Mass | 229.014 |
| XLogP3 | 2.9826 |
| Mr | 56.9605 |
| PSA | 72.12 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)C)c(cc1[N+](=O)[O-])Cl |
