478260-55-8
Product Name:
1-(4-CHLOROBENZYL)-2-OXO-6-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Formula:
C14H8ClF3N2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 312.67 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 312.0277251 g/mol |
| Monoisotopic Mass | 312.0277251 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 536 |
| 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 |