| CAS Number | 1247192-90-0 |
| Catalog Number | AG01BEKZ |
| Chemical Name | 3-bromo-4-(2,4-difluorophenyl)butan-2-one |
| IUPAC Name | 3-bromo-4-(2,4-difluorophenyl)butan-2-one |
| InChI | InChI=1S/C10H9BrF2O/c1-6(14)9(11)4-7-2-3-8(12)5-10(7)13/h2-3,5,9H,4H2,1H3 |
| InChI Key | RQXBZTMMKYICMJ-UHFFFAOYSA-N |
| MDL Number | MFCD16748461 |
| Molecular Formula | C10H9BrF2O |
| Molecular Weight | 263.0787 |
| SMILES | CC(C(CC1=C(F)C=C(F)C=C1)Br)=O |
| Synonyms | 3-bromo-4-(2,4-difluorophenyl)butan-2-one,
1247192-90-0,
AKOS011680766,
NE44931,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.082g/mol |
| Monoisotopic Mass | 261.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number