22102-04-1
Product Name:
4,4,4-TRIFLUORO-2-(3-METHOXY-PHENYL)-3-OXO-BUTYRONITRILE
Formula:
C11H8F3NO2
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 243.18 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 243.05071298 g/mol |
| Monoisotopic Mass | 243.05071298 g/mol |
| Topological Polar Surface Area | 50.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 331 |
| 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 |