400081-90-5
Product Name:
3-chloro-2-[(E)-2-[1-(4-chlorobenzoyl)-1H-pyrazol-3-yl]ethenyl]-5-(trifluoromethyl)pyridine
Formula:
C18H10Cl2F3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 412.2 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 411.0153018 g/mol |
| Monoisotopic Mass | 411.0153018 g/mol |
| Topological Polar Surface Area | 47.8 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 553 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |