Base information
| Cat. No. | |
| CAS No. | 35122-79-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10ClNO |
| Molecular Weight | 171.624 |
| Exact Mass | 171.045 |
| XLogP3 | 2.4633 |
| Mr | 47.2497 |
| PSA | 21.26 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(Cl)ccc1NC |
