78857-86-0
Product Name:
4'-(2'',4''-DINITRO-6''-TRIFLUOROMETHYLPHENYL)-AMINOBENZO-15-CROWN-5
Formula:
C21H22F3N3O9
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COMPUTED DESCRIPTORS
| Molecular Weight | 517.4 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 2 |
| Exact Mass | 517.13081377 g/mol |
| Monoisotopic Mass | 517.13081377 g/mol |
| Topological Polar Surface Area | 150 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 707 |
| 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 |