864685-31-4
Product Name:
METHYL 5-CYANO-6-(2,2-DIFLUOROETHYLTHIO)-2-(DIMETHOXYMETHYL)NICOTINATE
Formula:
C13H14F2N2O4S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 332.33 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 332.06423443 g/mol |
| Monoisotopic Mass | 332.06423443 g/mol |
| Topological Polar Surface Area | 107 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 414 |
| 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 |