| CAS Number | 121347-21-5 |
| Catalog Number | AG00819M(AGN-PC-0NLCK2) |
| Chemical Name | 4-(Chlorosulfonyl)phenyl 4-methylbenzene-1-sulfonate |
| IUPAC Name | (4-chlorosulfonylphenyl) 4-methylbenzenesulfonate |
| InChI | InChI=1S/C13H11ClO5S2/c1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16/h2-9H,1H3 |
| InChI Key | KVRRDBNRFARYIJ-UHFFFAOYSA-N |
| MDL Number | MFCD11505376 |
| Molecular Formula | C13H11ClO5S2 |
| Molecular Weight | 346.8064 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC1=CC=C(C=C1)S(=O)(=O)Cl |
| Synonyms | 121347-21-5,
4-(Chlorosulfonyl)phenyl 4-methylbenzene-1-sulfonate,
Benzenesulfonyl chloride, 4-[[(4-methylphenyl)sulfonyl]oxy]-,
4-(chlorosulfonyl)phenyl 4-methylbenzenesulfonate,
ACMC-20mpg2,
AC1Q2LQ6,
SCHEMBL4084466,
CTK0C3526,
DTXSID00625176,
KVRRDBNRFARYIJ-UHFFFAOYSA-N,
ZINC100573357,
EN300-37104,
4-(4'-methylphenylsulfonyloxy)benzenesulfonyl chloride,
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| Complexity | 530 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 345.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 346.796g/mol |
| Monoisotopic Mass | 345.974g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number