| CAS Number | 1248225-70-8 |
| Catalog Number | AG01A34N |
| Chemical Name | 3-(methanesulfonylmethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-(methylsulfonylmethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H9ClO4S2/c1-14(10,11)6-7-3-2-4-8(5-7)15(9,12)13/h2-5H,6H2,1H3 |
| InChI Key | RRBRIKUXEMWEEE-UHFFFAOYSA-N |
| MDL Number | MFCD16672416 |
| Molecular Formula | C8H9ClO4S2 |
| Molecular Weight | 268.7377 |
| SMILES | CS(CC1=CC(S(Cl)(=O)=O)=CC=C1)(=O)=O |
| Synonyms | 3-(methanesulfonylmethyl)benzene-1-sulfonyl chloride,
1248225-70-8,
ZINC88255997,
AKOS011365975,
NE52437,
|
| Complexity | 401 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.726g/mol |
| Monoisotopic Mass | 267.963g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number