| CAS Number | 5957-98-2 |
| Catalog Number | AG00IAKO(AGN-PC-0WC8TM) |
| Chemical Name | 4-(3-(Trifluoromethyl)phenyl)pyridine |
| IUPAC Name | 4-[3-(trifluoromethyl)phenyl]pyridine |
| InChI | InChI=1S/C12H8F3N/c13-12(14,15)11-3-1-2-10(8-11)9-4-6-16-7-5-9/h1-8H |
| InChI Key | JHXHMMVSNKGFDP-UHFFFAOYSA-N |
| MDL Number | MFCD15475192 |
| Molecular Formula | C12H8F3N |
| Molecular Weight | 223.1938 |
| SMILES | FC(c1cccc(c1)c1ccncc1)(F)F |
| Synonyms | 4-(3-(Trifluoromethyl)phenyl)pyridine,
5957-98-2,
4-[3-(trifluoromethyl)phenyl]pyridine,
4-(3-trifluoromethyl-phenyl)l-pyridine,
SCHEMBL3881826,
DTXSID50673526,
ZINC47212486,
AKOS015954799,
FT-0686149,
Y-9863,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.198g/mol |
| Monoisotopic Mass | 223.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number