Base information
| Cat. No. | |
| CAS No. | 335080-94-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12ClNO2 |
| Molecular Weight | 195.595 |
| Exact Mass | 195.076 |
| XLogP3 | 2.1013 |
| Mr | 49.9334 |
| PSA | 66.48 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NCC[13c]1[13cH][13cH][13c]([13c]([13cH]1)O)O.Cl |
