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Home > Indoles and Oxindole > 20780-76-1
20780-76-1 | 1H-Indole-2,3-dione, 5-iodo-
CAS No: 20780-76-1 Catalog No: AG002JAP MDL No:MFCD00016899
Product Description
Catalog Number:
AG002JAP
Chemical Name:
1H-Indole-2,3-dione, 5-iodo-
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 |
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