| CAS Number | 68978-28-9 |
| Catalog Number | AG01A8I4 |
| Chemical Name | 4-Ethoxy-2-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 4-ethoxy-2-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H11ClO3S/c1-3-13-8-4-5-9(7(2)6-8)14(10,11)12/h4-6H,3H2,1-2H3 |
| InChI Key | YOBIIUNWEDKXHN-UHFFFAOYSA-N |
| MDL Number | MFCD09812181 |
| Molecular Formula | C9H11ClO3S |
| Molecular Weight | 234.6998 |
| SMILES | CCOC1=CC(C)=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 4-ethoxy-2-methylbenzene-1-sulfonyl chloride,
68978-28-9,
AC1Q362E,
SCHEMBL9659543,
CTK6G1485,
AKOS000148364,
ZINC100562993,
NE35399,
EN300-61655,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.694g/mol |
| Monoisotopic Mass | 234.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number