956376-49-1
Product Name:
(E)-3-[5-CHLORO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-4-YL]-1-(2-THIENYL)-2-PROPEN-1-ONE
Formula:
C12H8ClF3N2OS
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COMPUTED DESCRIPTORS
| Molecular Weight | 320.72 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 319.9997962 g/mol |
| Monoisotopic Mass | 319.9997962 g/mol |
| Topological Polar Surface Area | 63.1 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 405 |
| 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 |