1025577-54-1
Product Name:
3-(4-(METHYLSULFONYL)PHENYL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)SULFONYL)PROP-2-ENENITRILE
Formula:
C17H12F3NO5S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 431.4 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 431.01089932 g/mol |
| Monoisotopic Mass | 431.01089932 g/mol |
| Topological Polar Surface Area | 118 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 828 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |