391250-23-0
Product Name:
Heptanoic acid, 4,6,6-trichloro-7,7,7-trifluoro-3,3-dimethyl-, (4S)-
Formula:
C9H12Cl3F3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 315.5 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 313.985497 g/mol |
| Monoisotopic Mass | 313.985497 g/mol |
| Topological Polar Surface Area | 37.3 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 290 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |