| CAS Number | 1261600-84-3 |
| Catalog Number | AG009X41(AGN-PC-0WA8N7) |
| Chemical Name | 3-Fluoro-5-[2-(trifluoromethyl)phenyl]pyridine |
| IUPAC Name | 3-fluoro-5-[2-(trifluoromethyl)phenyl]pyridine |
| InChI | InChI=1S/C12H7F4N/c13-9-5-8(6-17-7-9)10-3-1-2-4-11(10)12(14,15)16/h1-7H |
| InChI Key | KZMQUSLUQIUOOA-UHFFFAOYSA-N |
| MDL Number | MFCD18420607 |
| Molecular Formula | C12H7F4N |
| Molecular Weight | 241.1843 |
| SMILES | Fc1cncc(c1)c1ccccc1C(F)(F)F |
| Synonyms | 3-Fluoro-5-[2-(trifluoromethyl)phenyl]pyridine,
1261600-84-3,
3-Fluoro-5-(2-(trifluoromethyl)phenyl)pyridine,
ZINC95495970,
AKOS026672585,
Z9060,
C12H7F4N,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.189g/mol |
| Monoisotopic Mass | 241.051g/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