| CAS Number | 1594605-40-9 |
| Catalog Number | AG001R3J(AGN-PC-0WCN27) |
| Chemical Name | 4'-Bromo-5'-chloro-2'-fluoroacetophenone |
| IUPAC Name | 1-(4-bromo-5-chloro-2-fluorophenyl)ethanone |
| InChI | InChI=1S/C8H5BrClFO/c1-4(12)5-2-7(10)6(9)3-8(5)11/h2-3H,1H3 |
| InChI Key | UYZXJLRSUSUZHM-UHFFFAOYSA-N |
| MDL Number | MFCD27995573 |
| Molecular Formula | C8H5BrClFO |
| Molecular Weight | 251.4801 |
| SMILES | CC(=O)C1=CC(Cl)=C(Br)C=C1F |
| Synonyms | 1594605-40-9,
4-Bromo-5-chloro-2-fluoroacetophenone,
4'-Bromo-5'-chloro-2'-fluoroacetophenone,
1-(4-bromo-5-chloro-2-fluorophenyl)ethanone,
MFCD27995573,
ZINC97437865,
PS-10136,
4?-Bromo-5?-chloro-2?-fluoroacetophenone,
1-(4-bromo-5-chloro-2-fluorophenyl)ethan-1-one,
AS-813/43501797,
Ethanone, 1-(4-bromo-5-chloro-2-fluorophenyl)-,
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| 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