| CAS Number | 34586-44-2 |
| Catalog Number | AG019YON(AGN-PC-001UMX) |
| Chemical Name | 3-Ethylbenzene-1-sulfonyl chloride |
| IUPAC Name | 3-ethylbenzenesulfonyl chloride |
| InChI | InChI=1S/C8H9ClO2S/c1-2-7-4-3-5-8(6-7)12(9,10)11/h3-6H,2H2,1H3 |
| InChI Key | VIVGANIZOCUFFE-UHFFFAOYSA-N |
| MDL Number | MFCD09740557 |
| Molecular Formula | C8H9ClO2S |
| Molecular Weight | 204.6739 |
| SMILES | CCC1=CC(S(Cl)(=O)=O)=CC=C1 |
| Synonyms | 3-ethylbenzene-1-sulfonyl chloride,
34586-44-2,
SCHEMBL958043,
3-ethylbenzenesulfonyl chloride,
Benzenesulfonyl chloride,3-ethyl-,
Benzenesulfonyl chloride, 3-ethyl-,
STL450372,
AKOS009145528,
ZINC100441569,
NE14377,
RP26111,
SC-57298,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.668g/mol |
| Monoisotopic Mass | 204.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number