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Home Sulfos Benzene, 1,1'-sulfonylbis[3-nitro-

Benzene, 1,1'-sulfonylbis[3-nitro-

CAS No.:
1228-53-1
Catalog Number:
AG000JIG
Molecular Formula:
C12H8N2O6S
Molecular Weight:
308.2667
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Product Description
Catalog Number:
AG000JIG
Chemical Name:
Benzene, 1,1'-sulfonylbis[3-nitro-
CAS Number:
1228-53-1
Molecular Formula:
C12H8N2O6S
Molecular Weight:
308.2667
MDL Number:
MFCD00040973
IUPAC Name:
1-nitro-3-(3-nitrophenyl)sulfonylbenzene
InChI:
InChI=1S/C12H8N2O6S/c15-13(16)9-3-1-5-11(7-9)21(19,20)12-6-2-4-10(8-12)14(17)18/h1-8H
InChI Key:
AKAXCFAQCKRJOT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
EC Number:
214-965-2
NSC Number:
20608
Properties
Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.01g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.264g/mol
Monoisotopic Mass:
308.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Bis(3-nitro-phen-yl) sulfone. Acta crystallographica. Section E, Structure reports online 20080801
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
Diarylsulfones, a novel class of human immunodeficiency virus type 1 integrase inhibitors. Antimicrobial agents and chemotherapy 19970201
Properties