| CAS Number | 1391033-20-7 |
| Catalog Number | AG01FC05(AGN-PC-0WC94A) |
| Chemical Name | 3,5-Difluoro-4-(trifluoromethyl)pyridine |
| IUPAC Name | 3,5-difluoro-4-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C6H2F5N/c7-3-1-12-2-4(8)5(3)6(9,10)11/h1-2H |
| InChI Key | IOKAPTOVFHLDBN-UHFFFAOYSA-N |
| MDL Number | MFCD22378815 |
| Molecular Formula | C6H2F5N |
| Molecular Weight | 183.0788 |
| SMILES | Fc1cncc(c1C(F)(F)F)F |
| Synonyms | 3,5-difluoro-4-(trifluoromethyl)pyridine,
1391033-20-7,
BBL103108,
STL556918,
ZINC95627778,
AKOS016015422,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.081g/mol |
| Monoisotopic Mass | 183.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number