339106-54-6
Product Name:
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-3-ethoxy-5-oxo-4,5-dihydro-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime
Formula:
C19H14Cl3F3N4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 509.7 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 508.008358 g/mol |
| Monoisotopic Mass | 508.008358 g/mol |
| Topological Polar Surface Area | 76.4 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 728 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |