| CAS Number | 1214348-68-1 |
| Catalog Number | AG00A0M7(AGN-PC-0WCLAE) |
| Chemical Name | 3-Fluoro-6-(trifluoromethyl)picolinonitrile |
| IUPAC Name | 3-fluoro-6-(trifluoromethyl)pyridine-2-carbonitrile |
| InChI | InChI=1S/C7H2F4N2/c8-4-1-2-6(7(9,10)11)13-5(4)3-12/h1-2H |
| InChI Key | SDQXHCGCDWBMFF-UHFFFAOYSA-N |
| MDL Number | MFCD15478065 |
| Molecular Formula | C7H2F4N2 |
| Molecular Weight | 190.0978 |
| SMILES | FC=1C(=NC(=CC1)C(F)(F)F)C#N |
| Synonyms | 3-Fluoro-6-(trifluoromethyl)picolinonitrile,
1214348-68-1,
2-cyano-3-fluoro-6-(trifluoromethyl)pyridine,
ZINC47218641,
AKOS030233417,
FCH1163815,
3-fluoro-6-(trifluoromethyl)pyridine-2-carbonitrile,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.101g/mol |
| Monoisotopic Mass | 190.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number