96232-39-2
Product Name:
2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-(3-TRIFLUOROMETHYLPHENYL)PROPANENITRILE
Formula:
C13H11F3N2O
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COMPUTED DESCRIPTORS
| Molecular Weight | 268.23 g/mol |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 268.08234746 g/mol |
| Monoisotopic Mass | 268.08234746 g/mol |
| Topological Polar Surface Area | 44.1 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 417 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |