| CAS Number | 1247452-17-0 |
| Catalog Number | AG01DV3G |
| Chemical Name | 1-(5-bromo-3-fluoro-2-hydroxyphenyl)propan-1-one |
| IUPAC Name | 1-(5-bromo-3-fluoro-2-hydroxyphenyl)propan-1-one |
| InChI | InChI=1S/C9H8BrFO2/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h3-4,13H,2H2,1H3 |
| InChI Key | XSUDZPZKGXGDJV-UHFFFAOYSA-N |
| MDL Number | MFCD16742899 |
| Molecular Formula | C9H8BrFO2 |
| Molecular Weight | 247.061 |
| SMILES | CCC(C1=C(O)C(F)=CC(Br)=C1)=O |
| Synonyms | 1-(5-bromo-3-fluoro-2-hydroxyphenyl)propan-1-one,
1247452-17-0,
AKOS011667238,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.063g/mol |
| Monoisotopic Mass | 245.969g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number