| CAS Number | 122263-78-9 |
| Catalog Number | AG00HGP2(AGN-PC-0NKS7U) |
| Chemical Name | Benzenesulfonyl chloride, 4-fluoro-3,5-dimethyl- |
| IUPAC Name | 4-fluoro-3,5-dimethylbenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8ClFO2S/c1-5-3-7(13(9,11)12)4-6(2)8(5)10/h3-4H,1-2H3 |
| InChI Key | YHSLPTNUIVEZSI-UHFFFAOYSA-N |
| MDL Number | MFCD19201132 |
| Molecular Formula | C8H8ClFO2S |
| Molecular Weight | 222.6643 |
| SMILES | CC1=C(F)C(C)=CC(S(Cl)(=O)=O)=C1 |
| Synonyms | 122263-78-9,
4-Fluoro-3,5-dimethylbenzenesulfonyl chloride,
4-fluoro-3,5-dimethylbenzene-1-sulfonyl chloride,
SCHEMBL6180421,
YHSLPTNUIVEZSI-UHFFFAOYSA-N,
MFCD19201132,
ZINC59281335,
AKOS006334616,
JS-5189,
NE23269,
EN300-91627,
4-Fluoro-3,5-dimethylbenzenesulphonyl chloride,
Benzenesulfonyl chloride, 4-fluoro-3,5-dimethyl-,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.658g/mol |
| Monoisotopic Mass | 221.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number