| CAS Number | 72256-96-3 |
| Catalog Number | AG00FD3B(AGN-PC-0WB5UG) |
| Chemical Name | 5-Bromo-2,4-dimethylbenzenesulfonyl chloride |
| IUPAC Name | 5-bromo-2,4-dimethylbenzenesulfonyl chloride |
| InChI | InChI=1S/C8H8BrClO2S/c1-5-3-6(2)8(4-7(5)9)13(10,11)12/h3-4H,1-2H3 |
| InChI Key | PVNIDZKWTRPCOG-UHFFFAOYSA-N |
| MDL Number | MFCD16556139 |
| Molecular Formula | C8H8BrClO2S |
| Molecular Weight | 283.5699 |
| SMILES | S(Cl)(=O)(=O)C1=C(C)C=C(C(Br)=C1)C |
| Synonyms | 72256-96-3,
5-Bromo-2,4-dimethylbenzenesulfonyl chloride,
5-Bromo-2,4-dimethylbenzene-1-sulfonyl chloride,
SCHEMBL17203385,
MFCD16556139,
SBB081992,
AKOS005139214,
ZINC100153364,
FS-5757,
(5-bromo-2,4-dimethylphenyl)chlorosulfone,
5-bromo-2,4-dimethylphenylsulfonyl chloride,
Y-7689,
5-bromo-2,4-dimethylbenzenesulfonyl 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 | 281.912g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.564g/mol |
| Monoisotopic Mass | 281.912g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number