| CAS Number | 1249532-55-5 |
| Catalog Number | AG01AIGU |
| Chemical Name | 1-(2-fluorophenyl)-2-methanesulfonylethan-1-one |
| IUPAC Name | 1-(2-fluorophenyl)-2-methylsulfonylethanone |
| InChI | InChI=1S/C9H9FO3S/c1-14(12,13)6-9(11)7-4-2-3-5-8(7)10/h2-5H,6H2,1H3 |
| InChI Key | OZAXUXKXKMZWPB-UHFFFAOYSA-N |
| MDL Number | MFCD16860246 |
| Molecular Formula | C9H9FO3S |
| Molecular Weight | 216.2294 |
| SMILES | CS(CC(C1=C(F)C=CC=C1)=O)(=O)=O |
| Synonyms | 1-(2-fluorophenyl)-2-methanesulfonylethan-1-one,
1249532-55-5,
ZINC52897660,
AKOS008152522,
MCULE-8980108429,
NE16134,
EN300-77755,
Z1258992522,
|
| Complexity | 305 |
| 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 | 3 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number