864685-30-3
Product Name:
METHYL 5-CYANO-2-(DIMETHOXYMETHYL)-6-(2,2,2-TRIFLUOROETHYLTHIO)NICOTINATE
Formula:
C13H13F3N2O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 350.32 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 350.05481256 g/mol |
| Monoisotopic Mass | 350.05481256 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 450 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |