477846-23-4
Product Name:
2-[3-CYANO-4-ETHOXY-5-HYDROXY-5-(TRIFLUOROMETHYL)-1,5-DIHYDRO-2H-PYRROL-2-YLIDEN]MALONONITRILE
Formula:
C11H7F3N4O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 284.19 g/mol |
|---|---|
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 2 |
| Exact Mass | 284.05210997 g/mol |
| Monoisotopic Mass | 284.05210997 g/mol |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 631 |
| 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 |