| CAS Number | 1216272-28-4 |
| Catalog Number | AG009DXC(AGN-PC-0WB5VN) |
| Chemical Name | 5-isopropyl-2-methoxy-4-methylbenzenesulfonyl chloride |
| IUPAC Name | 2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonyl chloride |
| InChI | InChI=1S/C11H15ClO3S/c1-7(2)9-6-11(16(12,13)14)10(15-4)5-8(9)3/h5-7H,1-4H3 |
| InChI Key | UBIMBVGQPUWCRK-UHFFFAOYSA-N |
| MDL Number | MFCD12402642 |
| Molecular Formula | C11H15ClO3S |
| Molecular Weight | 262.7530 |
| SMILES | O=S(C1=CC(C(C)C)=C(C)C=C1OC)(Cl)=O |
| Synonyms | 1216272-28-4,
5-Isopropyl-2-methoxy-4-methylbenzene-1-sulfonyl chloride,
5-ISOPROPYL-2-METHOXY-4-METHYLBENZENESULFONYL CHLORIDE,
ZX-CM009309,
SBB081990,
AKOS005139212,
ZINC100153410,
Y-7200,
chloro[2-methoxy-4-methyl-5-(methylethyl)phenyl]sulfone,
5-isopropyl-2-methoxy-4-methylbenzenesulfonyl chloride(SALTDATA,
UBIMBVGQPUWCRK-UHFFFAOYSA-N,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.043043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.75g/mol |
| Monoisotopic Mass | 262.043043g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number