802565-31-7
Product Name:
Nicotinonitrile, 1,4,5,6-tetrahydro-2-hydroxy-4-methyl-6-oxo-4-(trifluoromethyl)- (8CI)
Formula:
C8H7F3N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 220.15 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 220.04596196 g/mol |
| Monoisotopic Mass | 220.04596196 g/mol |
| Topological Polar Surface Area | 73.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 390 |
| 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 |