| CAS Number | 1186608-79-6 |
| Catalog Number | AG01A263 |
| Chemical Name | 2,2,2-Trifluoro-1-(2-fluoropyridin-3-YL)ethanone |
| IUPAC Name | 2,2,2-trifluoro-1-(2-fluoropyridin-3-yl)ethanone |
| InChI | InChI=1S/C7H3F4NO/c8-6-4(2-1-3-12-6)5(13)7(9,10)11/h1-3H |
| InChI Key | ZTKVVMLHWCELMA-UHFFFAOYSA-N |
| MDL Number | MFCD11847265 |
| Molecular Formula | C7H3F4NO |
| Molecular Weight | 193.0984 |
| SMILES | FC1=C(C(C(F)(F)F)=O)C=CC=N1 |
| Synonyms | 1186608-79-6,
2-Fluoro-3-trifluoroacetylpyridine,
2,2,2-TRIFLUORO-1-(2-FLUOROPYRIDIN-3-YL)ETHANONE,
2,2,2-trifluoro-1-(2-fluoropyridin-3-yl)ethan-1-one,
SCHEMBL1495303,
ZTKVVMLHWCELMA-UHFFFAOYSA-N,
MFCD11847265,
ZINC75855079,
SC-32175,
DB-002296,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.101g/mol |
| Monoisotopic Mass | 193.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number