2-Fluoro-4-(methylsulfonyl)toluene - CAS 828270-60-6

Catalog:	BB036919
Product Name:	2-Fluoro-4-(methylsulfonyl)toluene
CAS:	828270-60-6
Synonyms:	2-fluoro-1-methyl-4-methylsulfonylbenzene; 2-fluoro-1-methyl-4-methylsulfonylbenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-fluoro-1-methyl-4-methylsulfonylbenzene
Description:	2-Fluoro-4-(methylsulfonyl)toluene (CAS# 828270-60-6) is a useful research chemical.
Molecular Weight:	188.22
Molecular Formula:	C8H9FO2S
Canonical SMILES:	CC1=C(C=C(C=C1)S(=O)(=O)C)F
InChI:	InChI=1S/C8H9FO2S/c1-6-3-4-7(5-8(6)9)12(2,10)11/h3-5H,1-2H3
InChI Key:	JVSGZPNRSFBICJ-UHFFFAOYSA-N
LogP:	2.61840

Publication Number	Title	Priority Date
EP-3489235-A1	Tricyclic compound as crth2 inhibitor	20160721
US-2017291894-A1	Novel gpr119 agonist compounds	20160408
US-2017291910-A1	Novel compounds as gpr119 agonists	20160408
WO-2017175068-A1	Thiazolopyridine derivatives as gpr119 agonists	20160408
US-2019084959-A1	Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as aoc3 inhibitors	20160303

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One

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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:	188.03072886
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.03072886
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6