| CAS Number | 1043919-81-8 |
| Catalog Number | AG01ABM4 |
| Chemical Name | 5-bromo-2,4-dichlorobenzene-1-sulfonyl chloride |
| IUPAC Name | 5-bromo-2,4-dichlorobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H2BrCl3O2S/c7-3-1-6(13(10,11)12)5(9)2-4(3)8/h1-2H |
| InChI Key | VMMZBCRKHJULAH-UHFFFAOYSA-N |
| MDL Number | MFCD26935975 |
| Molecular Formula | C6H2BrCl3O2S |
| Molecular Weight | 324.4069 |
| SMILES | ClC1=C(Br)C=C(S(Cl)(=O)=O)C(Cl)=C1 |
| Synonyms | 5-bromo-2,4-dichlorobenzene-1-sulfonyl chloride,
1043919-81-8,
ZINC97972429,
NE17228,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number