338960-15-9
Product Name:
ETHYL 4-(4-NITROPHENYL)-6-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE
Formula:
C15H13F3N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 358.27 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 358.07765601 g/mol |
| Monoisotopic Mass | 358.07765601 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 589 |
| 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 |