182131-50-6
Product Name:
2-BROMO-4,4,4-TRIFLUORO-3,3-DIHYDROXY-1-(2-THIENYL)BUTAN-1-ONE
Formula:
C8H6BrF3O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 319.10 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 317.91731 g/mol |
| Monoisotopic Mass | 317.91731 g/mol |
| Topological Polar Surface Area | 85.8 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 282 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |