2-Nitrophenyl phenyl sulfone - CAS 31515-43-2

Catalog:	BB020948
Product Name:	2-Nitrophenyl phenyl sulfone
CAS:	31515-43-2
Synonyms:	1-(benzenesulfonyl)-2-nitrobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-(benzenesulfonyl)-2-nitrobenzene
Description:	2-Nitrophenyl phenyl sulfone (CAS# 31515-43-2) is a useful research chemical compound.
Molecular Weight:	263.27
Molecular Formula:	C12H9NO4S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]
InChI:	InChI=1S/C12H9NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h1-9H
InChI Key:	GKNMUCPEXSCGKC-UHFFFAOYSA-N
Boiling Point:	462.3 ℃ at 760 mmHg
Melting Point:	145-148 ℃
Purity:	98 %
Density:	1.388 g/cm³
Appearance:	Solid
LogP:	4.03160

Publication Number	Title	Priority Date
CN-108997177-A	A kind of method of microwave assisted N- benzenesulfonyl nitrobenzene amine compound synthesis	20180904
US-10093787-B2	Polymeric waveguide with single dopant	20160818
US-2018051161-A1	Polymeric waveguide with single dopant	20160818
WO-2017198159-A1	Imidazole derivative containing bridge ring	20160516
JP-2013241580-A	Photosensitive composition	20120423

PMID	Publication Date	Title	Journal
11384233	20010607	2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1	Journal of medicinal chemistry
7541618	19950301	Comparative anti-HIV evaluation of diverse HIV-1-specific reverse transcriptase inhibitor-resistant virus isolates demonstrates the existence of distinct phenotypic subgroups	Antiviral research
7520874	19940822	Inhibition of reverse transcriptase of human immunodeficiency virus type 1 and chimeric enzymes of human immunodeficiency viruses types 1 and 2 by two novel non-nucleoside inhibitors	FEBS letters
7684215	19930401	Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase	Antimicrobial agents and chemotherapy

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Complexity:	389
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.02522894
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	263.02522894
Rotatable Bond Count:	2
Topological Polar Surface Area:	88.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7