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169262-73-1

169262-73-1 | Benzamide, 4-iodo-3-nitroso-

CAS No: 169262-73-1 Catalog No: AG007ANB MDL No:

Product Description

Catalog Number:
AG007ANB
Chemical Name:
Benzamide, 4-iodo-3-nitroso-
CAS Number:
169262-73-1
Molecular Formula:
C7H5IN2O2
Molecular Weight:
276.0313
IUPAC Name:
4-iodo-3-nitrosobenzamide
InChI:
InChI=1S/C7H5IN2O2/c8-5-2-1-4(7(9)11)3-6(5)10-12/h1-3H,(H2,9,11)
InChI Key:
IRIFRGXKPWAGNP-UHFFFAOYSA-N
SMILES:
O=Nc1cc(ccc1I)C(=O)N

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.94g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
276.033g/mol
Monoisotopic Mass:
275.94g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Literature

Title Journal
Failure of iniparib to inhibit poly(ADP-Ribose) polymerase in vitro. Clinical cancer research : an official journal of the American Association for Cancer Research 20120315
Enzymatic mechanism of the tumoricidal action of 4-iodo-3-nitrobenzamide. Molecular medicine reports 20090101
Anti-cancer action of 4-iodo-3-nitrobenzamide in combination with buthionine sulfoximine: inactivation of poly(ADP-ribose) polymerase and tumor glycolysis and the appearance of a poly(ADP-ribose) polymerase protease. Biochemical pharmacology 20020201

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