| CAS Number | 1823361-42-7 |
| Catalog Number | AG01B57L |
| Chemical Name | 1-(4-Bromo-2,3-difluorophenyl)-2,2,2-trifluoroethanone |
| IUPAC Name | 1-(4-bromo-2,3-difluorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H2BrF5O/c9-4-2-1-3(5(10)6(4)11)7(15)8(12,13)14/h1-2H |
| InChI Key | WEWSLUVBAKBTPE-UHFFFAOYSA-N |
| MDL Number | MFCD27664852 |
| Molecular Formula | C8H2BrF5O |
| Molecular Weight | 288.9969 |
| SMILES | FC1=C(Br)C=CC(C(C(F)(F)F)=O)=C1F |
| Synonyms | 1-(4-Bromo-2,3-difluorophenyl)-2,2,2-trifluoroethan-1-one,
1823361-42-7,
ZINC238553529,
4'-Bromo-2,2,2,2',3'-pentafluoroacetophenone,
|
| Complexity | 254 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number