| CAS Number | 91920-30-8 |
| Catalog Number | AG01AGQT(AGN-PC-0166OW) |
| Chemical Name | 2,6-Diethylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2,6-diethylbenzenesulfonyl chloride |
| InChI | InChI=1S/C10H13ClO2S/c1-3-8-6-5-7-9(4-2)10(8)14(11,12)13/h5-7H,3-4H2,1-2H3 |
| InChI Key | YQPLJLXHJANWKP-UHFFFAOYSA-N |
| MDL Number | MFCD09737915 |
| Molecular Formula | C10H13ClO2S |
| Molecular Weight | 232.7270 |
| SMILES | CCC1=C(S(Cl)(=O)=O)C(CC)=CC=C1 |
| Synonyms | 2,6-diethylbenzene-1-sulfonyl chloride,
91920-30-8,
SCHEMBL1500826,
YQPLJLXHJANWKP-UHFFFAOYSA-N,
2,6-Diethylbenzenesulfonyl chloride,
AKOS009145529,
ZINC100625626,
NE53571,
EN300-72583,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.722g/mol |
| Monoisotopic Mass | 232.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number