Base information
| Cat. No. | |
| CAS No. | 89808-76-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.603 |
| Exact Mass | 179.014 |
| XLogP3 | 2.995 |
| Mr | 46.949 |
| PSA | 26.03 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Clc1cccc(c1)c1cnco1 |
