119577-50-3
Product Name:
3-BROMO-4-ETHOXY-1,1,1-TRIFLUORO-BUT-3-EN-2-ONE
Formula:
C6H6BrF3O2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 247.01 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 245.95033 g/mol |
| Monoisotopic Mass | 245.95033 g/mol |
| Topological Polar Surface Area | 26.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 198 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |