| CAS Number | 24653-79-0 |
| Catalog Number | AG01A2RF(AGN-PC-00MS6X) |
| Chemical Name | 3,5-Dichloro-4-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 3,5-dichloro-4-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl3O2S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3 |
| InChI Key | OLFWFOJPCBLRSU-UHFFFAOYSA-N |
| MDL Number | MFCD16112611 |
| Molecular Formula | C7H5Cl3O2S |
| Molecular Weight | 259.5374 |
| SMILES | CC1=C(Cl)C=C(S(Cl)(=O)=O)C=C1Cl |
| Synonyms | 3,5-dichloro-4-methylbenzene-1-sulfonyl chloride,
24653-79-0,
3,5-Dichloro-4-methylbenzenesulfonyl chloride,
SCHEMBL9449881,
AKOS011078250,
ZINC100463445,
NE26481,
2,6-dichloro-p-toluenesulfonyl chloride,
|
| Complexity | 260 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number