4-Bromo-2-methyl-1-(methylsulfonyl)benzene - CAS 99768-21-5
Catalog: |
BB042335 |
Product Name: |
4-Bromo-2-methyl-1-(methylsulfonyl)benzene |
CAS: |
99768-21-5 |
Synonyms: |
4-bromo-2-methyl-1-methylsulfonylbenzene; 4-bromo-2-methyl-1-methylsulfonylbenzene |
IUPAC Name: | 4-bromo-2-methyl-1-methylsulfonylbenzene |
Description: | 4-Bromo-2-methyl-1-(methylsulfonyl)benzene (CAS# 99768-21-5) is a useful research chemical for organic synthesis and other pharmacological processes. |
Molecular Weight: | 249.12 |
Molecular Formula: | C8H9BrO2S |
Canonical SMILES: | CC1=C(C=CC(=C1)Br)S(=O)(=O)C |
InChI: | InChI=1S/C8H9BrO2S/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5H,1-2H3 |
InChI Key: | LNVYXKNXYRIPOR-UHFFFAOYSA-N |
LogP: | 3.24180 |
Publication Number | Title | Priority Date |
AU-2012288969-A1 | Substituted quinolines and their use as medicaments | 20110726 |
AU-2012288969-B2 | Substituted quinolines and their use as medicaments | 20110726 |
EA-024845-B1 | Substituted quinolines and their use as medicaments | 20110726 |
EP-2736886-A1 | Substituted quinolines and their use as medicaments | 20110726 |
EP-2736886-B1 | Substituted quinolines and their use as medicaments | 20110726 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.95066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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