338792-98-6
Product Name:
ETHYL 5-(4-CHLOROPHENYL)-4,6-DIOXO-4,5,6,6A-TETRAHYDRO-3AH-PYRROLO[3,4-D]ISOXAZOLE-3-CARBOXYLATE
Formula:
C14H11ClN2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.70 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 322.0356491 g/mol |
| Monoisotopic Mass | 322.0356491 g/mol |
| Topological Polar Surface Area | 85.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 541 |
| 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 |