954238-37-0
Product Name:
4,4,4-TRIFLUORO-2-(3-FLUORO-PHENYL)-3-OXO-BUTYRONITRILE
Formula:
C10H5F4NO
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COMPUTED DESCRIPTORS
| Molecular Weight | 231.15 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 231.03072643 g/mol |
| Monoisotopic Mass | 231.03072643 g/mol |
| Topological Polar Surface Area | 40.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 317 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |