404373-21-3
Product Name:
Butanoic acid, 2-[(3,4-difluorophenyl)methylene]-3-oxo-
Formula:
C11H8F2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 226.18 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 226.04415044 g/mol |
| Monoisotopic Mass | 226.04415044 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 325 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |