HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 609727Generated: November 4, 2026
5'-Chloro-2-(2,4-di-tert-pentylphenoxy)-2'-hydroxy-4'-((pentafluoropropionyl)amino)butyranilide
https://huagongshe.com/en/chemical/609727
Identifiers & Physical Properties
| CAS No. | 122735-41-5 |
|---|
| Molecular formula | C29H36ClF5N2O4 |
|---|
| Average molar mass | 607 g/mol |
|---|
| Monoisotopic mass | 606.2283761 g/mol |
|---|
| SMILES | CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1cc(Cl)c(NC(=O)C(F)(F)C(F)(F)F)cc1O |
|---|
| InChIKey | KDMHDWFQXXXYPD-UHFFFAOYSA-N |
|---|
| PubChem CID | 609727 |
|---|
| DTXSID | DTXSID001353315 |
|---|
Chemical & Physical Properties
| XLogP | 9.4 |
|---|
| Topological polar surface area | 87.7 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 9 |
|---|
| Rotatable bonds | 11 |
|---|
| Heavy atoms | 41 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 901 |
|---|
