231301-30-7
Product Name:
1-ACETYL-4-BROMO-5(3)-METHYL-3(5)-[PERFLUORO(1-PROPOXYETHYL)]PYRAZOLE
Formula:
C11H6BrF11N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 487.06 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 4 |
| Exact Mass | 485.94370 g/mol |
| Monoisotopic Mass | 485.94370 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 582 |
| 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 |