| CAS Number | 64063-38-3 |
| Catalog Number | AG019LBQ(AGN-PC-015QWC) |
| Chemical Name | 2,6-dichloro-3-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2,6-dichloro-3-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl3O2S/c1-4-2-3-5(8)7(6(4)9)13(10,11)12/h2-3H,1H3 |
| InChI Key | MECQULFAAYGDDW-UHFFFAOYSA-N |
| MDL Number | MFCD08443169 |
| Molecular Formula | C7H5Cl3O2S |
| Molecular Weight | 259.5374 |
| SMILES | CC1=C(Cl)C(S(Cl)(=O)=O)=C(Cl)C=C1 |
| Synonyms | 2,6-dichloro-3-methylbenzenesulfonyl chloride,
2,6-dichloro-3-methylbenzene-1-sulfonyl chloride,
64063-38-3,
AC1Q2F2W,
SCHEMBL149954,
CTK6G8851,
AKOS000125871,
ZINC100501884,
EN300-30729,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.908g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.525g/mol |
| Monoisotopic Mass | 257.908g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number