| CAS Number | 1249673-60-6 |
| Catalog Number | AG01B9FM |
| Chemical Name | 3-Bromo-2-chloro-5-nitrobenzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-2-chloro-5-nitrobenzenesulfonyl chloride |
| InChI | InChI=1S/C6H2BrCl2NO4S/c7-4-1-3(10(11)12)2-5(6(4)8)15(9,13)14/h1-2H |
| InChI Key | ZTFFYTRLOVELIJ-UHFFFAOYSA-N |
| MDL Number | MFCD16085638 |
| Molecular Formula | C6H2BrCl2NO4S |
| Molecular Weight | 334.9594 |
| SMILES | [O-][N+](C1=CC(S(Cl)(=O)=O)=C(Cl)C(Br)=C1)=O |
| Synonyms | 3-bromo-2-chloro-5-nitrobenzene-1-sulfonyl chloride,
1249673-60-6,
AKOS010981786,
ZINC105724070,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 332.826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.949g/mol |
| Monoisotopic Mass | 332.826g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 88.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number