Base information
| Cat. No. | |
| CAS No. | 42248-31-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H5ClO3 |
| Molecular Weight | 208.598 |
| Exact Mass | 207.993 |
| XLogP3 | 2.2589 |
| Mr | 52.8815 |
| PSA | 47.28 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1coc2c(c1=O)cc(cc2)Cl |