| CAS Number | 1215295-88-7 |
| Catalog Number | AG009DST(AGN-PC-0WB5WS) |
| Chemical Name | 4,5-Dichloro-2-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 4,5-dichloro-2-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H5Cl3O2S/c1-4-2-5(8)6(9)3-7(4)13(10,11)12/h2-3H,1H3 |
| InChI Key | TYZBDEJHZYVWRM-UHFFFAOYSA-N |
| MDL Number | MFCD12402636 |
| Molecular Formula | C7H5Cl3O2S |
| Molecular Weight | 259.5374 |
| SMILES | ClC1=CC(=C(C=C1Cl)S(=O)(=O)Cl)C |
| Synonyms | 1215295-88-7,
4,5-dichloro-2-methylbenzenesulfonyl chloride,
4,5-Dichloro-2-methylbenzene-1-sulfonyl chloride,
4,5-Dichloro-2-methyl-benzenesulfonyl chloride,
ZX-CM009458,
MFCD12402636,
SBB081975,
AKOS005139193,
ZINC100153607,
FCH1343441,
(4,5-dichloro-2-methylphenyl)chlorosulfone,
Y-7195,
4,5-dichloro-2-methylbenzenesulfonyl chloride(SALTDATA,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number