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4-Bromo-2-methyl-1-(methylsulfonyl)benzene

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

Technical Data

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Computed Properties

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

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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