| CAS Number | 1251242-72-4 |
| Catalog Number | AG01BERB |
| Chemical Name | 3-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one |
| IUPAC Name | 3-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one |
| InChI | InChI=1S/C10H9BrClFO/c1-6(14)8(11)5-7-3-2-4-9(12)10(7)13/h2-4,8H,5H2,1H3 |
| InChI Key | CAHFUTMAQPFOIO-UHFFFAOYSA-N |
| MDL Number | MFCD16748640 |
| Molecular Formula | C10H9BrClFO |
| Molecular Weight | 279.5333 |
| SMILES | CC(C(CC1=C(F)C(Cl)=CC=C1)Br)=O |
| Synonyms | 3-bromo-4-(3-chloro-2-fluorophenyl)butan-2-one,
1251242-72-4,
AKOS011680376,
NE43371,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.533g/mol |
| Monoisotopic Mass | 277.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number