| CAS Number | 1349708-80-0 |
| Catalog Number | AG00LD37(AGN-PC-3H4564) |
| Chemical Name | 3-Bromo-2,4-dichlorobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-2,4-dichlorobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H2BrCl3O2S/c7-5-3(8)1-2-4(6(5)9)13(10,11)12/h1-2H |
| InChI Key | KDSCCBGEIBGKMY-UHFFFAOYSA-N |
| MDL Number | MFCD20233372 |
| Molecular Formula | C6H2BrCl3O2S |
| Molecular Weight | 324.4069 |
| SMILES | O=S(C1=CC=C(Cl)C(Br)=C1Cl)(Cl)=O |
| Synonyms | 1349708-80-0,
3-Bromo-2,4-dichlorobenzenesulfonyl chloride,
3-Bromo-2,4-dichlorobenzene-1-sulfonyl chloride,
SCHEMBL16555423,
ZINC100557056,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.802g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.394g/mol |
| Monoisotopic Mass | 321.802g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number