| CAS Number | 1211520-62-5 |
| Catalog Number | AG00HFXQ(AGN-PC-0WAOR4) |
| Chemical Name | 3-(Pentafluoro-lambda6-sulfanyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(pentafluoro-λ6-sulfanyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C6H4ClF5O2S2/c7-15(13,14)5-2-1-3-6(4-5)16(8,9,10,11)12/h1-4H |
| InChI Key | NNEKBNJEZZMVHF-UHFFFAOYSA-N |
| MDL Number | MFCD16652436 |
| Molecular Formula | C6H4ClF5O2S2 |
| Molecular Weight | 302.6698 |
| SMILES | O=S(C1=CC=CC(S(F)(F)(F)(F)F)=C1)(Cl)=O |
| Synonyms | 3-(Pentafluorosulfur)benzenesulfonyl chloride,
1211520-62-5,
MFCD16652436,
3-(Pentafluorothio)benzenesulfonyl chloride,
3-(pentafluoro-??-sulfanyl)benzene-1-sulfonyl chloride,
ZINC97949973,
AKOS015956464,
JS-4086,
NE16033,
3-(pentafluoro-lambda-sulfanyl)benzene-1-sulfonyl chloride,
|
| Complexity | 382 |
| 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