| CAS Number | 69129-66-4 |
| Catalog Number | AG019N82 |
| Chemical Name | 3-methyl-4-(propan-2-yloxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-methyl-4-propan-2-yloxybenzenesulfonyl chloride |
| InChI | InChI=1S/C10H13ClO3S/c1-7(2)14-10-5-4-9(6-8(10)3)15(11,12)13/h4-7H,1-3H3 |
| InChI Key | OJNSPOKXPHDFKG-UHFFFAOYSA-N |
| MDL Number | MFCD09803259 |
| Molecular Formula | C10H13ClO3S |
| Molecular Weight | 248.7264 |
| SMILES | CC(OC1=C(C)C=C(S(Cl)(=O)=O)C=C1)C |
| Synonyms | 3-methyl-4-(propan-2-yloxy)benzene-1-sulfonyl chloride,
69129-66-4,
4-isopropoxy-3-methylbenzenesulfonyl chloride,
AC1Q1QLL,
CTK6B0829,
ZINC59108144,
AKOS000151751,
NE29846,
EN300-39638,
4-isopropoxy-3-methylbenzene-1-sulfonyl chloride,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.721g/mol |
| Monoisotopic Mass | 248.027g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number