735291-00-6
Product Name:
1(2H)-Pyridinebutanenitrile, α-(1-aminoethylidene)-3-chloro-β,2-dioxo-5-(trifluoromethyl)-
Formula:
C12H9ClF3N3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 319.67 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 319.0335387 g/mol |
| Monoisotopic Mass | 319.0335387 g/mol |
| Topological Polar Surface Area | 87.2 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 638 |
| 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 |