| CAS Number | 1258639-68-7 |
| Catalog Number | AG01AB3C |
| Chemical Name | 3-Methanesulfonyl-2,5-dimethylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2,5-dimethyl-3-methylsulfonylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H11ClO4S2/c1-6-4-8(15(3,11)12)7(2)9(5-6)16(10,13)14/h4-5H,1-3H3 |
| InChI Key | ZJOWCZXFVXWKDQ-UHFFFAOYSA-N |
| MDL Number | MFCD17977050 |
| Molecular Formula | C9H11ClO4S2 |
| Molecular Weight | 282.7642 |
| SMILES | CC1=CC(S(Cl)(=O)=O)=C(C)C(S(C)(=O)=O)=C1 |
| Synonyms | 3-methanesulfonyl-2,5-dimethylbenzene-1-sulfonyl chloride,
1258639-68-7,
2,5-Dimethyl-3-(methylsulfonyl)benzene-1-sulfonyl chloride,
AC1Q2GS9,
AKOS022530398,
ZINC100622024,
NE22608,
EN300-70346,
|
| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.753g/mol |
| Monoisotopic Mass | 281.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number