338420-24-9
Product Name:
DIMETHYL 4,6-DIOXO-5-[3-(TRIFLUOROMETHYL)PHENYL]TETRAHYDRO-2H-PYRROLO[3,4-D]ISOXAZOLE-3,3(3AH)-DICARBOXYLATE
Formula:
C16H13F3N2O7
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 402.28 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 5 |
| Exact Mass | 402.06748524 g/mol |
| Monoisotopic Mass | 402.06748524 g/mol |
| Topological Polar Surface Area | 111 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 695 |
| 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 |