| CAS Number | 28122-13-6 |
| Catalog Number | AG01EUO6(AGN-PC-3H47L2) |
| Chemical Name | 2-((4-Fluorophenyl)sulfonyl)ethanol |
| IUPAC Name | 2-(4-fluorophenyl)sulfonylethanol |
| InChI | InChI=1S/C8H9FO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2 |
| InChI Key | BUQOMEFZYUQRIV-UHFFFAOYSA-N |
| MDL Number | MFCD03789137 |
| Molecular Formula | C8H9FO3S |
| Molecular Weight | 204.2187 |
| SMILES | OCCS(=O)(C1=CC=C(F)C=C1)=O |
| Synonyms | 28122-13-6,
2-[(4-fluorophenyl)sulfonyl]ethanol,
2-((4-Fluorophenyl)sulfonyl)ethanol,
2-(4-fluorophenyl)sulfonylethanol,
AC1MBZQN,
SCHEMBL7033085,
ZINC2511059,
AKOS012684131,
FS-5039,
MCULE-1851025222,
1-[(4-fluorophenyl)sulfonyl]ethan-2-ol,
ST51041977,
4-Fluorophenylsulfonylethanol,
CID2759144,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.215g/mol |
| Monoisotopic Mass | 204.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number