| CAS Number | 72587-20-3 |
| Catalog Number | AG00FFY5(AGN-PC-00K37P) |
| Chemical Name | 2-Chloro-5-fluoro-3-(trifluoromethyl)pyridine |
| IUPAC Name | 2-chloro-5-fluoro-3-(trifluoromethyl)pyridine |
| InChI | InChI=1S/C6H2ClF4N/c7-5-4(6(9,10)11)1-3(8)2-12-5/h1-2H |
| InChI Key | FJFGWJRMKPXMIJ-UHFFFAOYSA-N |
| MDL Number | MFCD11100544 |
| Molecular Formula | C6H2ClF4N |
| Molecular Weight | 199.5334 |
| SMILES | FC1=CC(C(F)(F)F)=C(Cl)N=C1 |
| Synonyms | 2-Chloro-5-fluoro-3-(trifluoromethyl)pyridine,
72587-20-3,
SCHEMBL11189186,
CTK7C2728,
8767AE,
BBL100904,
STL554698,
ZINC30714883,
AKOS005255400,
TR-055135,
X-3979,
2-Chloro-5-fluoro-3-(trifluoromethyl)pyridine, AldrichCPR,
C6H2ClF4N,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.533g/mol |
| Monoisotopic Mass | 198.981g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number