3-Fluoro-5-(methylsulfonyl)nitrobenzene - CAS 7087-27-6

Catalog:	BB034256
Product Name:	3-Fluoro-5-(methylsulfonyl)nitrobenzene
CAS:	7087-27-6
Synonyms:	1-fluoro-3-methylsulfonyl-5-nitrobenzene; 1-fluoro-3-methylsulfonyl-5-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-fluoro-3-methylsulfonyl-5-nitrobenzene
Description:	3-Fluoro-5-(methylsulfonyl)nitrobenzene (CAS# 7087-27-6 ) is a useful research chemical.
Molecular Weight:	219.19
Molecular Formula:	C7H6FNO4S
Canonical SMILES:	CS(=O)(=O)C1=CC(=CC(=C1)F)[N+](=O)[O-]
InChI:	InChI=1S/C7H6FNO4S/c1-14(12,13)7-3-5(8)2-6(4-7)9(10)11/h2-4H,1H3
InChI Key:	ULFWKDXMSAWUGW-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3388430-A1	Compound, compound for use in the treatment of a pathological condition, a pharmaceutical composition and a method for preparing said compound	20170410
WO-2018188785-A1	Compound, compound for use in the treatment of a pathological condition, a pharmaceutical composition and a method for preparing said compound	20170410
CN-106414442-A	1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS	20140423
CN-106414442-B	1H- pyrrolo- [2,3-c] pyridine -7 (6H) -one and pyrazolo [3,4-c] pyridine -7 (6H) -one as BET protein inhibitor	20140423
US-2013023532-A1	Indazolyl-pyrimidines as kinase inhibitors	20100326

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
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[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[7492-88-8]
3-piperidinecarbonitrile

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Complexity:	318
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.00015701
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.00015701
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1