| CAS Number | 1181891-76-8 |
| Catalog Number | AG019WBK |
| Chemical Name | 1-Fluoro-2,4-dimethanesulfonylbenzene |
| IUPAC Name | 1-fluoro-2,4-bis(methylsulfonyl)benzene |
| InChI | InChI=1S/C8H9FO4S2/c1-14(10,11)6-3-4-7(9)8(5-6)15(2,12)13/h3-5H,1-2H3 |
| InChI Key | QVDXQKUCAQANJT-UHFFFAOYSA-N |
| MDL Number | MFCD12912952 |
| Molecular Formula | C8H9FO4S2 |
| Molecular Weight | 252.2831 |
| SMILES | CS(C1=CC(S(C)(=O)=O)=C(F)C=C1)(=O)=O |
| Synonyms | 1-fluoro-2,4-dimethanesulfonylbenzene,
1181891-76-8,
AC1Q4GGL,
CTK7C1307,
ZINC36379746,
AKOS030752450,
MCULE-4751356636,
NE25408,
EN300-51337,
|
| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.274g/mol |
| Monoisotopic Mass | 251.993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number