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2-(4-Nitrophenyl)ethanesulfonyl Chloride

2-(4-Nitrophenyl)ethanesulfonyl Chloride - CAS 80259-15-0

Catalog:	BB036484
Product Name:	2-(4-Nitrophenyl)ethanesulfonyl Chloride
CAS:	80259-15-0
Synonyms:	2-(4-nitrophenyl)ethanesulfonyl chloride; 2-(4-nitrophenyl)ethanesulfonyl chloride

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-nitrophenyl)ethanesulfonyl chloride
Description:	2-(4-Nitrophenyl)ethanesulfonyl Chloride (CAS# 80259-15-0) is a useful research chemical.
Molecular Weight:	249.67
Molecular Formula:	C8H8ClNO4S
Canonical SMILES:	C1=CC(=CC=C1CCS(=O)(=O)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C8H8ClNO4S/c9-15(13,14)6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2
InChI Key:	LCUFMYFBIXFCMV-UHFFFAOYSA-N
LogP:	3.30990

Publication Number	Title	Priority Date
AU-2011210349-A1	Process for the preparation of darunavir and darunavir intermediates	20100128
CA-2784398-A1	Process for the preparation of darunavir and darunavir intermediates	20100128
EP-2528923-A1	Process for the preparation of darunavir and darunavir intermediates	20100128
JP-2013518096-A	Process for the preparation of darunavir and darunavir intermediates	20100128
US-2012296101-A1	Process for the preparation of darunavir and darunavir intermediates	20100128

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Related Functional Groups

Sulfur Compounds

[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1778-09-2]
4'-(Methylthio)acetophenone

Complexity:	311
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.9862566
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.9862566
Rotatable Bond Count:	3
Topological Polar Surface Area:	88.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3