338964-43-5
Product Name:
1-ALLYL-2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Formula:
C16H11F3N2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 304.27 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 304.08234746 g/mol |
| Monoisotopic Mass | 304.08234746 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 580 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |