| CAS Number | 1094454-32-6 |
| Catalog Number | AG01B6NO |
| Chemical Name | 3-(propan-2-yl)-4-propoxybenzene-1-sulfonyl chloride |
| IUPAC Name | 3-propan-2-yl-4-propoxybenzenesulfonyl chloride |
| InChI | InChI=1S/C12H17ClO3S/c1-4-7-16-12-6-5-10(17(13,14)15)8-11(12)9(2)3/h5-6,8-9H,4,7H2,1-3H3 |
| InChI Key | WBFLMOSRQCWHEM-UHFFFAOYSA-N |
| MDL Number | MFCD11133928 |
| Molecular Formula | C12H17ClO3S |
| Molecular Weight | 276.7796 |
| SMILES | CCCOC1=C(C(C)C)C=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 3-(propan-2-yl)-4-propoxybenzene-1-sulfonyl chloride,
1094454-32-6,
ZINC59093532,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.775g/mol |
| Monoisotopic Mass | 276.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number