| CAS Number | 1202679-47-7 |
| Catalog Number | AG01FHFR(AGN-PC-3H4AP7) |
| Chemical Name | 2',6'-Difluoro-3'-(trifluoromethyl)acetophenone |
| IUPAC Name | 1-[2,6-difluoro-3-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H5F5O/c1-4(15)7-6(10)3-2-5(8(7)11)9(12,13)14/h2-3H,1H3 |
| InChI Key | YCSWEAQKFAHIRJ-UHFFFAOYSA-N |
| MDL Number | MFCD27937175 |
| Molecular Formula | C9H5F5O |
| Molecular Weight | 224.1274 |
| SMILES | CC(=O)c1c(F)ccc(c1F)C(F)(F)F |
| Synonyms | 2',6'-Difluoro-3'-(trifluoromethyl)acetophenone,
1202679-47-7,
MFCD27937175,
ZINC238121513,
PC500227,
PS-11282,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.13g/mol |
| Monoisotopic Mass | 224.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number