| CAS Number | 1208075-82-4 |
| Catalog Number | AG0095FI |
| Chemical Name | 1-(2-Bromo-6-fluorophenyl)-2,2,2-trifluoroethanone |
| IUPAC Name | 1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H3BrF4O/c9-4-2-1-3-5(10)6(4)7(14)8(11,12)13/h1-3H |
| InChI Key | VIAZLBYMYOENQS-UHFFFAOYSA-N |
| MDL Number | MFCD12547809 |
| Molecular Formula | C8H3BrF4O |
| Molecular Weight | 271.0064 |
| SMILES | c1(cccc(c1C(=O)C(F)(F)F)Br)F |
| Synonyms | 1208075-82-4,
1-(2-Bromo-6-fluoro-phenyl)-2,2,2-trifluoro-ethanone,
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanone,
ZINC40571482,
FCH1324890,
PC501696,
2-Bromo-6-fluorophenyl trifluoromethyl ketone,
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethan-1-one,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.009g/mol |
| Monoisotopic Mass | 269.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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