| CAS Number | 1432678-37-9 |
| Catalog Number | AG01A4M1 |
| Chemical Name | 5-chloro-2-(methanesulfonylmethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 5-chloro-2-(methylsulfonylmethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H8Cl2O4S2/c1-15(11,12)5-6-2-3-7(9)4-8(6)16(10,13)14/h2-4H,5H2,1H3 |
| InChI Key | DKPQKLFXNIMRBL-UHFFFAOYSA-N |
| MDL Number | MFCD21235080 |
| Molecular Formula | C8H8Cl2O4S2 |
| Molecular Weight | 303.1827 |
| SMILES | CS(CC1=C(S(Cl)(=O)=O)C=C(Cl)C=C1)(=O)=O |
| Synonyms | 5-chloro-2-(methanesulfonylmethyl)benzene-1-sulfonyl chloride,
1432678-37-9,
AKOS014774138,
ZINC100473400,
NE26713,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.924g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.168g/mol |
| Monoisotopic Mass | 301.924g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number