2-Bromo-5-(methylsulfonyl)benzenesulfonyl Chloride - CAS 1038695-53-2
Catalog: |
BB001249 |
Product Name: |
2-Bromo-5-(methylsulfonyl)benzenesulfonyl Chloride |
CAS: |
1038695-53-2 |
Synonyms: |
2-bromo-5-methylsulfonylbenzenesulfonyl chloride; 2-bromo-5-methylsulfonylbenzenesulfonyl chloride |
IUPAC Name: | 2-bromo-5-methylsulfonylbenzenesulfonyl chloride |
Description: | 2-Bromo-5-(methylsulfonyl)benzenesulfonyl Chloride (CAS# 1038695-53-2) is a useful research chemical. |
Molecular Weight: | 333.61 |
Molecular Formula: | C7H6BrClO4S2 |
Canonical SMILES: | CS(=O)(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6BrClO4S2/c1-14(10,11)5-2-3-6(8)7(4-5)15(9,12)13/h2-4H,1H3 |
InChI Key: | MPPWURAWIYRWRK-UHFFFAOYSA-N |
Complexity: | 419 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.85794 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.85794 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 85 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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