| CAS Number | 1211516-26-5 |
| Catalog Number | AG00HFXJ(AGN-PC-0WAORI) |
| Chemical Name | 4-(pentafluoro-lambda6-sulfanyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(pentafluoro-λ6-sulfanyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C6H4ClF5O2S2/c7-15(13,14)5-1-3-6(4-2-5)16(8,9,10,11)12/h1-4H |
| InChI Key | LQEOIYDDOVVHIF-UHFFFAOYSA-N |
| MDL Number | MFCD16652450 |
| Molecular Formula | C6H4ClF5O2S2 |
| Molecular Weight | 302.6698 |
| SMILES | FS(C1=CC=C(S(Cl)(=O)=O)C=C1)(F)(F)(F)F |
| Synonyms | 4-(Pentafluorosulfur)benzenesulfonyl chloride,
1211516-26-5,
MFCD16652450,
4-(pentafluoro-??-sulfanyl)benzene-1-sulfonyl chloride,
ZINC97949979,
AKOS015957097,
JS-4088,
NE18550,
4-(Pentafluorothio)benzenesulfonyl chloride,
4-(pentafluoro-lambda-sulfanyl)benzene-1-sulfonyl chloride,
|
| Complexity | 374 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.658g/mol |
| Monoisotopic Mass | 301.926g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number