| CAS Number | 1715018-78-2 |
| Catalog Number | AG01B2R9 |
| Chemical Name | 1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethan-1-one |
| IUPAC Name | 1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H3BrClF3O/c9-4-1-2-5(6(10)3-4)7(14)8(11,12)13/h1-3H |
| InChI Key | MTVYLXGRYYAVTG-UHFFFAOYSA-N |
| MDL Number | MFCD28107142 |
| Molecular Formula | C8H3BrClF3O |
| Molecular Weight | 287.461 |
| SMILES | FC(C(C1=C(Cl)C=C(Br)C=C1)=O)(F)F |
| Synonyms | 1715018-78-2,
1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethan-1-one,
AKOS033945462,
ZINC306452220,
Z2568751707,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.46g/mol |
| Monoisotopic Mass | 285.901g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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