| CAS Number | 1288987-71-2 |
| Catalog Number | AG01FHFT(AGN-PC-3H4APB) |
| Chemical Name | 2',6'-Difluoro-4'-(trifluoromethyl)acetophenone |
| IUPAC Name | 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]ethanone |
| InChI | InChI=1S/C9H5F5O/c1-4(15)8-6(10)2-5(3-7(8)11)9(12,13)14/h2-3H,1H3 |
| InChI Key | QPUVJJDKQJBOKN-UHFFFAOYSA-N |
| MDL Number | MFCD27975472 |
| Molecular Formula | C9H5F5O |
| Molecular Weight | 224.1274 |
| SMILES | CC(=O)c1c(F)cc(cc1F)C(F)(F)F |
| Synonyms | 2',6'-Difluoro-4'-(trifluoromethyl)acetophenone,
1288987-71-2,
MFCD27975472,
ZINC97439004,
PC500321,
PS-11281,
2,6-Difluoro-4-(trifluoromethyl)acetophenone,
|
| Complexity | 237 |
| 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