338422-50-7
Product Name:
ETHYL 4,6-DIOXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-4,5,6,6A-TETRAHYDRO-3AH-PYRROLO[3,4-D]ISOXAZOLE-3-CARBOXYLATE
Formula:
C15H11F3N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 356.25 g/mol |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 4 |
| Exact Mass | 356.06200594 g/mol |
| Monoisotopic Mass | 356.06200594 g/mol |
| Topological Polar Surface Area | 85.3 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 633 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |