452356-34-2
Product Name:
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl methanesulfonate
Formula:
C19H15F3O7S
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COMPUTED DESCRIPTORS
| Molecular Weight | 444.4 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 444.04905847 g/mol |
| Monoisotopic Mass | 444.04905847 g/mol |
| Topological Polar Surface Area | 96.5 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 787 |
| 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 |