Base information
| Cat. No. | |
| CAS No. | 101581-13-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6ClNO5 |
| Molecular Weight | 231.59 |
| Exact Mass | 230.993 |
| XLogP3 | 2.4782 |
| Mr | 53.7253 |
| PSA | 92.35 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)O)c(cc1[N+](=O)[O-])Cl |
