| CAS Number | 519050-96-5 |
| Catalog Number | AG01A4O6(AGN-PC-0GL53O) |
| Chemical Name | 1-(3-Bromo-5-fluorophenyl)propan-1-one |
| IUPAC Name | 1-(3-bromo-5-fluorophenyl)propan-1-one |
| InChI | InChI=1S/C9H8BrFO/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3 |
| InChI Key | DSKFWYJZKMFSSZ-UHFFFAOYSA-N |
| MDL Number | MFCD18391373 |
| Molecular Formula | C9H8BrFO |
| Molecular Weight | 231.0616 |
| SMILES | CCC(C1=CC(Br)=CC(F)=C1)=O |
| Synonyms | 1-(3-bromo-5-fluorophenyl)propan-1-one,
519050-96-5,
SCHEMBL15587366,
3'-Bromo-5'-fluoropropiophenone,
ZINC37594154,
AKOS015157613,
NE34108,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.064g/mol |
| Monoisotopic Mass | 229.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number