| CAS Number | 1214329-47-1 |
| Catalog Number | AG0014SJ(AGN-PC-0WC8TO) |
| Chemical Name | 4-(4-Methoxy-2-(trifluoromethyl)phenyl)pyridine |
| IUPAC Name | 4-[4-methoxy-2-(trifluoromethyl)phenyl]pyridine |
| InChI | InChI=1S/C13H10F3NO/c1-18-10-2-3-11(9-4-6-17-7-5-9)12(8-10)13(14,15)16/h2-8H,1H3 |
| InChI Key | MISYLEZJTWSPAU-UHFFFAOYSA-N |
| MDL Number | MFCD15477346 |
| Molecular Formula | C13H10F3NO |
| Molecular Weight | 253.2198 |
| SMILES | COc1ccc(c(c1)C(F)(F)F)c1ccncc1 |
| Synonyms | 4-(4-Methoxy-2-(trifluoromethyl)phenyl)pyridine,
1214329-47-1,
4-[4-methoxy-2-(trifluoromethyl)phenyl]pyridine,
DTXSID30673549,
1128AD,
ZINC47217257,
AKOS027320173,
FT-0686157,
Z-0711,
C13H10F3NO,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.224g/mol |
| Monoisotopic Mass | 253.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number