Base information
| Cat. No. | |
| CAS No. | 68236-25-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12ClNO4 |
| Molecular Weight | 281.692 |
| Exact Mass | 281.045 |
| XLogP3 | 2.7265 |
| Mr | 71.6165 |
| PSA | 57.65 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc2nc(Cl)c(cc2c(c1OC)OC)C=O |
