| CAS Number | 1845690-53-0 |
| Catalog Number | AG01FGZM(AGN-PC-3H4ALI) |
| Chemical Name | 5'-Fluoro-2'-(methylsulphonyl)acetophenone |
| IUPAC Name | 1-(5-fluoro-2-methylsulfonylphenyl)ethanone |
| InChI | InChI=1S/C9H9FO3S/c1-6(11)8-5-7(10)3-4-9(8)14(2,12)13/h3-5H,1-2H3 |
| InChI Key | MVUVQLIKWXVFMG-UHFFFAOYSA-N |
| MDL Number | MFCD28348626 |
| Molecular Formula | C9H9FO3S |
| Molecular Weight | 216.2294 |
| SMILES | Fc1ccc(c(c1)C(=O)C)S(=O)(=O)C |
| Synonyms | 5-Fluoro-2-(methylsulphonyl)acetophenone,
1845690-53-0,
MFCD28348626,
ZINC169807106,
FCH3797523,
PC501388,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.226g/mol |
| Monoisotopic Mass | 216.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number