303095-18-3
Product Name:
4-oxo-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-7-yl acetate
Formula:
C21H13F3N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 414.3 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 414.08274139 g/mol |
| Monoisotopic Mass | 414.08274139 g/mol |
| Topological Polar Surface Area | 70.4 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 718 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |