339018-19-8
Product Name:
2-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Formula:
C16H7F6N5O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 479.25 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 3 |
| Exact Mass | 479.03005193 g/mol |
| Monoisotopic Mass | 479.03005193 g/mol |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 780 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |