951753-87-0
Product Name:
5-isothiocyanato-3-(trifluoromethyl)picolinonitrile
Formula:
C8H2F3N3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 229.18 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 1 |
| Exact Mass | 228.99215274 g/mol |
| Monoisotopic Mass | 228.99215274 g/mol |
| Topological Polar Surface Area | 81.1 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 326 |
| 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 |
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