1-(Methylsulfonyl)-2-nitrobenzene - CAS 2976-34-3

Catalog:	BB020304
Product Name:	1-(Methylsulfonyl)-2-nitrobenzene
CAS:	2976-34-3
Synonyms:	1-methylsulfonyl-2-nitrobenzene; 1-methylsulfonyl-2-nitrobenzene

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1-methylsulfonyl-2-nitrobenzene
Description:	1-(Methylsulfonyl)-2-nitrobenzene (CAS# 2976-34-3) is a useful research chemical.
Molecular Weight:	201.20
Molecular Formula:	C7H7NO4S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI:	InChI=1S/C7H7NO4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChI Key:	VAUDOALZTARJIW-UHFFFAOYSA-N
LogP:	2.60230

Publication Number	Title	Priority Date
CN-110520127-A	The heteoaromatic carboxamide that the piperidinyl of regulator as GPR6 replaces and the heteoaromatic carboxamide replaced through piperazinyl	20170326
JP-2020512401-A	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6	20170326
CN-106432005-A	2-nitro-4-methylsulfonylbenzoic acid oxidation method	20160830
CN-105837528-A	Preparation method of 2-(methyl sulphonyl)-10H-phenothiazine	20160530
CN-105861358-A	Fomesafen degrading bacterium and application thereof	20160407

PMID	Publication Date	Title	Journal
20458960	20090901	[Screening of new 2,4- and 2,6-dinitroaniline derivates for phytotoxicity and antimitotic activity]	TSitologiia i genetika

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Related Functional Groups

Sulfur Compounds

[85-47-2]
1-Naphthalenesulfonic acid
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[874-87-3]
4-(Methylthio)benzyl chloride
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[156-57-0]
Cysteamine hydrochloride

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.00957888
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.00957888
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1