| CAS Number | 115472-98-5 |
| Catalog Number | AG01C1SX(AGN-PC-002A94) |
| Chemical Name | 2,4,6-Triethylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2,4,6-triethylbenzenesulfonyl chloride |
| InChI | InChI=1S/C12H17ClO2S/c1-4-9-7-10(5-2)12(16(13,14)15)11(6-3)8-9/h7-8H,4-6H2,1-3H3 |
| InChI Key | ADUYHOFATLEZIC-UHFFFAOYSA-N |
| MDL Number | MFCD23715575 |
| Molecular Formula | C12H17ClO2S |
| Molecular Weight | 260.7802 |
| SMILES | C(C)C1=C(C(=CC(=C1)CC)CC)S(=O)(=O)Cl |
| Synonyms | 2,4,6-triethylbenzene-1-sulfonyl chloride,
115472-98-5,
SCHEMBL1929814,
ZINC106163719,
2,4,6-Triethylbenzenesulfonyl chloride,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.776g/mol |
| Monoisotopic Mass | 260.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number