| CAS Number | 1141-91-9 |
| Catalog Number | AG019UE5(AGN-PC-01UCM0) |
| Chemical Name | 4-(3-methylbutoxy)benzene-1-sulfonyl chloride |
| IUPAC Name | 4-(3-methylbutoxy)benzenesulfonyl chloride |
| InChI | InChI=1S/C11H15ClO3S/c1-9(2)7-8-15-10-3-5-11(6-4-10)16(12,13)14/h3-6,9H,7-8H2,1-2H3 |
| InChI Key | QZMKMIOBMCHVJC-UHFFFAOYSA-N |
| MDL Number | MFCD09806921 |
| Molecular Formula | C11H15ClO3S |
| Molecular Weight | 262.7530 |
| SMILES | CC(CCOC1=CC=C(S(Cl)(=O)=O)C=C1)C |
| Synonyms | 4-(3-methylbutoxy)benzenesulfonyl chloride,
1141-91-9,
4-(3-methylbutoxy)benzene-1-sulfonyl chloride,
4-(Isopentyloxy)benzene-1-sulfonyl chloride,
AC1Q1PH1,
SCHEMBL6954857,
CTK6A7979,
QZMKMIOBMCHVJC-UHFFFAOYSA-N,
AKOS000148306,
ZINC100562965,
NE17958,
EN300-41383,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.748g/mol |
| Monoisotopic Mass | 262.043g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number