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Home Other Building Blocks 5-Iodoisatin

5-Iodoisatin

CAS No.:
20780-76-1
Catalog Number:
AG002JAP
Molecular Formula:
C8H4INO2
Molecular Weight:
273.0273
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$75
- +
25g
95%
In Stock USA
United States
$219
- +
100g
95%
In Stock USA
United States
$763
- +
Product Description
Catalog Number:
AG002JAP
Chemical Name:
5-Iodoisatin
CAS Number:
20780-76-1
Molecular Formula:
C8H4INO2
Molecular Weight:
273.0273
MDL Number:
MFCD00016899
IUPAC Name:
5-iodo-1H-indole-2,3-dione
InChI:
InChI=1S/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChI Key:
OEUGDMOJQQLVAZ-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)C(=O)C(=O)N2
EC Number:
244-035-1
NSC Number:
92515
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.929g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.029g/mol
Monoisotopic Mass:
272.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Chemical synthesis, in vitro acetohydroxyacid synthase (AHAS) inhibition, herbicidal activity, and computational studies of isatin derivatives. Journal of agricultural and food chemistry 20110928
QSAR study of isatin analogues as in vitro anti-cancer agents. European journal of medicinal chemistry 20100301
1-(3-Chloro-benz-yl)-5-iodo-indoline-2,3-dione. Acta crystallographica. Section E, Structure reports online 20081101
Biological targets for isatin and its analogues: Implications for therapy. Biologics : targets & therapy 20070601
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. Journal of medicinal chemistry 20070419
In vitro cytotoxicity evaluation of some substituted isatin derivatives. Bioorganic & medicinal chemistry 20070115
Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors. Journal of medicinal chemistry 20060615
Hydrogen-bonded chains of rings linked by iodo-carbonyl interactions in 5-iodoisatin and hydrogen-bonded sheets in 7-trifluoromethylisatin. Acta crystallographica. Section C, Crystal structure communications 20060601
Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain. Bioorganic & medicinal chemistry letters 20031020
Synthesis and antiviral evaluation of isatin ribonucleosides. Nucleosides, nucleotides & nucleic acids 20020101
Properties