2-Methoxy-4-(methylsulfonyl)aniline - CAS 41608-73-5

Catalog:	BB024918
Product Name:	2-Methoxy-4-(methylsulfonyl)aniline
CAS:	41608-73-5
Synonyms:	2-methoxy-4-methylsulfonylaniline; 2-methoxy-4-methylsulfonylaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methoxy-4-methylsulfonylaniline
Description:	2-Methoxy-4-(methylsulfonyl)aniline (CAS# 41608-73-5) is a useful research chemical compound.
Molecular Weight:	201.24
Molecular Formula:	C8H11NO3S
Canonical SMILES:	COC1=C(C=CC(=C1)S(=O)(=O)C)N
InChI:	InChI=1S/C8H11NO3S/c1-12-8-5-6(13(2,10)11)3-4-7(8)9/h3-5H,9H2,1-2H3
InChI Key:	FBZRMLLLOMNOLJ-UHFFFAOYSA-N
LogP:	2.34290

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[5310-68-9]
4-Chlorophenylsulphur pentafluoride

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.04596439
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.04596439
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5