HuagongsheHuagongshe Chemistry Print Report · For research reference only
(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-, (+-)-, salt with (R)-(+)-alpha-methylbenzenemethanamine (1:1)
4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxo-butanoic acid, (1R)-1- phenylethanamine
Identifiers & Physical Properties
| CAS No. | 161692-97-3 |
|---|---|
| Molecular formula | C25H25F2NO3 |
| Average molar mass | 425.5 g/mol |
| Monoisotopic mass | 425.18024998 g/mol |
| SMILES | CC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)O.C[C@@H](N)c1ccccc1 |
| InChIKey | WNZNWMDUCQZVQV-HMZWWLAASA-N |
| PubChem CID | 3074792 |
| DTXSID | DTXSID10936583 |
Chemical & Physical Properties
| Topological polar surface area | 80.4 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 6 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 479 |