| CAS Number | 69129-46-0 |
| Catalog Number | AG019MMA |
| Chemical Name | 4-(2-Methoxyethoxy)-3-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 4-(2-methoxyethoxy)-3-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C10H13ClO4S/c1-8-7-9(16(11,12)13)3-4-10(8)15-6-5-14-2/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | CYUYJLMTRQASDR-UHFFFAOYSA-N |
| MDL Number | MFCD09814771 |
| Molecular Formula | C10H13ClO4S |
| Molecular Weight | 264.7258 |
| SMILES | COCCOC1=C(C)C=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 4-(2-Methoxyethoxy)-3-methylbenzene-1-sulfonyl chloride,
69129-46-0,
4-(2-methoxyethoxy)-3-methylbenzenesulfonyl chloride,
EN300-36590,
AC1Q4GAD,
SCHEMBL2089415,
CTK7B3751,
ZINC59108596,
AKOS000158689,
4-(2-methoxyethoxy)-3-methylbenzene-1-sulfonyl chloride, AldrichCPR,
4-(2-methoxy-ethoxy)-3-methyl-benzenesulfonyl chloride,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.72g/mol |
| Monoisotopic Mass | 264.022g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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