| CAS Number | 1250924-34-5 |
| Catalog Number | AG01BEIK |
| Chemical Name | 3-bromo-4-(2-fluorophenyl)butan-2-one |
| IUPAC Name | 3-bromo-4-(2-fluorophenyl)butan-2-one |
| InChI | InChI=1S/C10H10BrFO/c1-7(13)9(11)6-8-4-2-3-5-10(8)12/h2-5,9H,6H2,1H3 |
| InChI Key | BGERWDDYWDRTKN-UHFFFAOYSA-N |
| MDL Number | MFCD16748496 |
| Molecular Formula | C10H10BrFO |
| Molecular Weight | 245.0882 |
| SMILES | CC(C(CC1=C(F)C=CC=C1)Br)=O |
| Synonyms | 3-bromo-4-(2-fluorophenyl)butan-2-one,
1250924-34-5,
AKOS011680361,
NE42714,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.091g/mol |
| Monoisotopic Mass | 243.99g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number