| CAS Number | 339370-16-0 |
| Catalog Number | AG00C8O9(AGN-PC-0WB5RM) |
| Chemical Name | 5-(tert-Butyl)-2,3-dimethylbenzene-1-sulfonyl chloride |
| IUPAC Name | 5-tert-butyl-2,3-dimethylbenzenesulfonyl chloride |
| InChI | InChI=1S/C12H17ClO2S/c1-8-6-10(12(3,4)5)7-11(9(8)2)16(13,14)15/h6-7H,1-5H3 |
| InChI Key | VYWPKUNQVPGULH-UHFFFAOYSA-N |
| MDL Number | MFCD00453973 |
| Molecular Formula | C12H17ClO2S |
| Molecular Weight | 260.7802 |
| SMILES | S(Cl)(=O)(=O)C1C(C)=C(C)C=C(C(C)(C)C)C=1 |
| Synonyms | 339370-16-0,
5-(tert-Butyl)-2,3-dimethylbenzene-1-sulfonyl chloride,
5-TERT-BUTYL-2,3-DIMETHYLBENZENESULFONYL CHLORIDE,
ZX-CM009026,
MFCD00453973,
AKOS022185633,
ZINC100153036,
W-6933,
5-tert-butyl-2,3-dimethylbenzenesulfonyl chloride(SALTDATA,
5-tert-Butyl-2,3-dimethyl-benzenesulfonyl chloride,
|
| Complexity | 337 |
| 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 | 2 |
| 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