| CAS Number | 1138-54-1 |
| Catalog Number | AG0009QF(AGN-PC-0NJG79) |
| Chemical Name | 4-(2-Methylpropoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(2-methylpropoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C10H13ClO3S/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13/h3-6,8H,7H2,1-2H3 |
| InChI Key | NHXWTFAPVNWYJI-UHFFFAOYSA-N |
| MDL Number | MFCD09804087 |
| Molecular Formula | C10H13ClO3S |
| Molecular Weight | 248.7264 |
| SMILES | CC(COC1=CC=C(S(Cl)(=O)=O)C=C1)C |
| Synonyms | 1138-54-1,
4-(2-Methylpropoxy)benzene-1-sulfonyl chloride,
Benzenesulfonyl chloride, 4-(2-methylpropoxy)-,
4-isobutoxybenzenesulfonyl chloride,
4-(iso-butoxy)-phenylsulfonyl chloride,
AC1Q1PT3,
SCHEMBL6396284,
CTK0C8474,
DTXSID30502961,
NHXWTFAPVNWYJI-UHFFFAOYSA-N,
4-isobutoxybenzene-1-sulfonyl chloride,
AKOS000155761,
ZINC100572629,
NS-03667,
EN300-36497,
4-(2-methylpropoxy)benzene-1-sulfonyl chloride, AldrichCPR,
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| Complexity | 274 |
| 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 | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number