| CAS Number | 1540199-39-0 |
| Catalog Number | AG01DLI4 |
| Chemical Name | 6'-Bromo-3'-chloro-2'-fluoroacetophenone |
| IUPAC Name | 1-(6-bromo-3-chloro-2-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H5BrClFO/c1-4(12)7-5(9)2-3-6(10)8(7)11/h2-3H,1H3 |
| InChI Key | NAMYUIXIQALERX-UHFFFAOYSA-N |
| MDL Number | MFCD28096615 |
| Molecular Formula | C8H5BrClFO |
| Molecular Weight | 251.4801 |
| SMILES | CC(C1=C(Br)C=CC(Cl)=C1F)=O |
| Synonyms | 1-(6-Bromo-3-chloro-2-fluorophenyl)ethanone,
1540199-39-0,
6'-Bromo-3'-chloro-2'-fluoroacetophenone,
SCHEMBL19474528,
MFCD28096615,
ZINC75925147,
FCH2571843,
PC48451,
PS-10131,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.479g/mol |
| Monoisotopic Mass | 249.92g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number