| CAS Number | 90084-62-1 |
| Catalog Number | AG019CIX(AGN-PC-00UYAI) |
| Chemical Name | 2-chloro-5-(methylsulfonyl)benzenesulfonyl chloride |
| IUPAC Name | 2-chloro-5-methylsulfonylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6Cl2O4S2/c1-14(10,11)5-2-3-6(8)7(4-5)15(9,12)13/h2-4H,1H3 |
| InChI Key | ZHCBIWRMYWDSNE-UHFFFAOYSA-N |
| MDL Number | MFCD08445060 |
| Molecular Formula | C7H6Cl2O4S2 |
| Molecular Weight | 289.1561 |
| SMILES | CS(C1=CC(S(Cl)(=O)=O)=C(Cl)C=C1)(=O)=O |
| Synonyms | 90084-62-1,
2-chloro-5-(methylsulfonyl)benzenesulfonyl chloride,
2-chloro-5-methanesulfonylbenzene-1-sulfonyl chloride,
2-chloro-5-methanesulfonyl-benzenesulfonyl chloride,
AC1Q4GGK,
5-Methanesulfonyl-2-chlorobenzenesulfonyl chloride,
SCHEMBL10363279,
CTK6H1290,
DTXSID80585522,
ZHCBIWRMYWDSNE-UHFFFAOYSA-N,
AKOS000149320,
ZINC100361384,
MCULE-2180923278,
NE13901,
EN300-31349,
2-Chloro-5-Methanesulfonylbenzenesulfonyl Chloride,
2-Chloro-5-methylsulfonyl-benzenesulfonyl chloride,
2-Chloro-5-(methanesulfonyl)benzene-1-sulfonyl chloride,
2-chloro-5-(methylsulfonyl)benzene-1-sulfonyl chloride,
2-chloro-5-(methylsulfonyl)benzenesulfonyl chloride, AldrichCPR,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.141g/mol |
| Monoisotopic Mass | 287.908g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number