| CAS Number | 187471-28-9 |
| Catalog Number | AG00ACUL(AGN-PC-01V0VF) |
| Chemical Name | 2-Ethoxy-5-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2-ethoxy-5-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H11ClO3S/c1-3-13-8-5-4-7(2)6-9(8)14(10,11)12/h4-6H,3H2,1-2H3 |
| InChI Key | UXIMQTGBQKUZAN-UHFFFAOYSA-N |
| MDL Number | MFCD09803633 |
| Molecular Formula | C9H11ClO3S |
| Molecular Weight | 234.6998 |
| SMILES | S(Cl)(=O)(=O)C1C=C(C)C=CC=1OCC |
| Synonyms | 2-ethoxy-5-methylbenzene-1-sulfonyl chloride,
187471-28-9,
2-ETHOXY-5-METHYLBENZENESULFONYL CHLORIDE,
AC1Q35HR,
SCHEMBL7870540,
CTK6G2544,
DTXSID20593161,
UXIMQTGBQKUZAN-UHFFFAOYSA-N,
MFCD09803633,
SBB082002,
AKOS000162439,
ZINC100153521,
chloro(2-ethoxy-5-methylphenyl)sulfone,
EN300-54107,
Y-5540,
2-ethoxy-5-methylbenzenesulfonyl chloride(SALTDATA,
350997-10-3,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number