| CAS Number | 1208074-78-5 |
| Catalog Number | AG01B59B |
| Chemical Name | 1-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoroethan-1-one |
| IUPAC Name | 1-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H2BrF5O/c9-3-1-4(10)6(5(11)2-3)7(15)8(12,13)14/h1-2H |
| InChI Key | DKUKINAWWPPFAN-UHFFFAOYSA-N |
| MDL Number | MFCD12922633 |
| Molecular Formula | C8H2BrF5O |
| Molecular Weight | 288.9969 |
| SMILES | FC1=C(C(C(F)(F)F)=O)C(F)=CC(Br)=C1 |
| Synonyms | 1208074-78-5,
1-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoroethanone,
4'-Bromo-2,2,2,2',6'-pentafluoroacetophenone,
1-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoroethan-1-one,
ZINC40571934,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.999g/mol |
| Monoisotopic Mass | 287.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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