477708-82-0
Product Name:
(E)-3-[5-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-(2-pyridinyl)-2-propen-1-one
Formula:
C13H9ClF3N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 315.68 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 315.0386241 g/mol |
| Monoisotopic Mass | 315.0386241 g/mol |
| Topological Polar Surface Area | 47.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 416 |
| 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 |