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Home Sulfos Bis(4-fluoro-3-nitrophenyl) sulfone

Bis(4-fluoro-3-nitrophenyl) sulfone

CAS No.:
312-30-1
Catalog Number:
AG003O9I
Molecular Formula:
C12H6F2N2O6S
Molecular Weight:
344.2476
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$55
- +
25g
95%
In Stock USA
United States
$210
- +
Product Description
Catalog Number:
AG003O9I
Chemical Name:
Bis(4-fluoro-3-nitrophenyl) sulfone
CAS Number:
312-30-1
Molecular Formula:
C12H6F2N2O6S
Molecular Weight:
344.2476
MDL Number:
MFCD00007057
IUPAC Name:
1-fluoro-4-(4-fluoro-3-nitrophenyl)sulfonyl-2-nitrobenzene
InChI:
InChI=1S/C12H6F2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H
InChI Key:
KHAWDEWNXJIVCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1F)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])F
EC Number:
206-224-7
NSC Number:
14153
Properties
Complexity:
526  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.991g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.245g/mol
Monoisotopic Mass:
343.991g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Nitrobenzene compounds inhibit expression of VCAM-1. Bioorganic & medicinal chemistry letters 20010723
Quantitative structure-activity relationship studies of a series of sulfa drugs as inhibitors of Pneumocystis carinii dihydropteroate synthetase. Antimicrobial agents and chemotherapy 19980601
Diarylsulfones, a novel class of human immunodeficiency virus type 1 integrase inhibitors. Antimicrobial agents and chemotherapy 19970201
Inhibition of recombinant Pneumocystis carinii dihydropteroate synthetase by sulfa drugs. Antimicrobial agents and chemotherapy 19950801
Properties