182127-92-0
Product Name:
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE
Formula:
C8H5F3N2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 218.20 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 218.01255383 g/mol |
| Monoisotopic Mass | 218.01255383 g/mol |
| Topological Polar Surface Area | 67.9 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 395 |
| 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 |