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3-Fluoro-4-nitrobenzenesulfonyl Chloride

3-Fluoro-4-nitrobenzenesulfonyl Chloride - CAS 86156-93-6

Catalog:	BB037842
Product Name:	3-Fluoro-4-nitrobenzenesulfonyl Chloride
CAS:	86156-93-6
Synonyms:	3-fluoro-4-nitrobenzenesulfonyl chloride; 3-fluoro-4-nitrobenzenesulfonyl chloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-fluoro-4-nitrobenzenesulfonyl chloride
Description:	3-Fluoro-4-nitrobenzenesulfonyl Chloride (CAS# 86156-93-6) is a useful research chemical.
Molecular Weight:	239.61
Molecular Formula:	C6H3ClFNO4S
Canonical SMILES:	C1=CC(=C(C=C1S(=O)(=O)Cl)F)[N+](=O)[O-]
InChI:	InChI=1S/C6H3ClFNO4S/c7-14(12,13)4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChI Key:	AAWFUSFNPBRQDE-UHFFFAOYSA-N
Boiling Point:	126 °C / 0.25 mmHg
Density:	1.685 g/cm³
MDL:	MFCD03412240
LogP:	3.26540

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US-2020347066-A1	Tricyclic amine compounds as cdk2 inhibitors	20190501
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Related Functional Groups

Sulfur Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	322
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.9455346
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.9455346
Rotatable Bond Count:	1
Topological Polar Surface Area:	88.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9