| CAS Number | 1603381-94-7 |
| Catalog Number | AG01B9CT |
| Chemical Name | 2-bromo-4-methanesulfonylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2-bromo-4-methylsulfonylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6BrClO4S2/c1-14(10,11)5-2-3-7(6(8)4-5)15(9,12)13/h2-4H,1H3 |
| InChI Key | LFIDSHKZQDCWCO-UHFFFAOYSA-N |
| MDL Number | MFCD28383818 |
| Molecular Formula | C7H6BrClO4S2 |
| Molecular Weight | 333.6071 |
| SMILES | CS(C1=CC(Br)=C(S(Cl)(=O)=O)C=C1)(=O)=O |
| Synonyms | 2-bromo-4-methanesulfonylbenzene-1-sulfonyl chloride,
1603381-94-7,
ZINC130257185,
|
| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.858g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.595g/mol |
| Monoisotopic Mass | 331.858g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number