CAS 31515-43-2 | 1-Nitro-2-(phenylsulfonyl)benzene | CAS Number 31515-43-2

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31515-43-2 | 1-Nitro-2-(phenylsulfonyl)benzene

CAS No: 31515-43-2 Catalog No: AG003HSV MDL No:MFCD00035921

Product Description

Catalog Number:

AG003HSV

Chemical Name:

1-Nitro-2-(phenylsulfonyl)benzene

CAS Number:

31515-43-2

Molecular Formula:

C12H9NO4S

Molecular Weight:

263.2692

MDL Number:

MFCD00035921

IUPAC Name:

1-(benzenesulfonyl)-2-nitrobenzene

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

SMILES:

[O-][N+](=O)c1ccccc1S(=O)(=O)c1ccccc1

EC Number:

250-672-6

NSC Number:

624231

Properties

Complexity:

389

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.267g/mol

Monoisotopic Mass:

263.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.	Journal of medicinal chemistry 20010607
Comparative anti-HIV evaluation of diverse HIV-1-specific reverse transcriptase inhibitor-resistant virus isolates demonstrates the existence of distinct phenotypic subgroups.	Antiviral research 19950301
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 19940822
Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase.	Antimicrobial agents and chemotherapy 19930401