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Home Other Building Blocks 5-(Trifluoromethoxy)indoline-2,3-dione

5-(Trifluoromethoxy)indoline-2,3-dione

CAS No.:
169037-23-4
Catalog Number:
AG001YGI
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$19
- +
5g
97%
In Stock USA
United States
$69
- +
10g
97%
In Stock USA
United States
$107
- +
25g
97%
In Stock USA
United States
$219
- +
100g
97%
In Stock USA
United States
$557
- +
Product Description
Catalog Number:
AG001YGI
Chemical Name:
5-(Trifluoromethoxy)indoline-2,3-dione
CAS Number:
169037-23-4
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
MDL Number:
MFCD00192524
IUPAC Name:
5-(trifluoromethoxy)-1H-indole-2,3-dione
InChI:
InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)
InChI Key:
XHAJMVPMNOBILF-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)cc(cc2)OC(F)(F)F
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.014g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.13g/mol
Monoisotopic Mass:
231.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
1-[2-Oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]-4-[4-(trifluoro-methyl)-phen-yl]thio-semicarbazide. Acta crystallographica. Section E, Structure reports online 20100701
4-(5-Chloro-2-methyl-phen-yl)-1-[2-oxo-5-(trifluoro-meth-oxy)indolin-3-yl-idene]thio-semicarbazide. Acta crystallographica. Section E, Structure reports online 20100501
Identification of inhibitors of N5-carboxyaminoimidazole ribonucleotide synthetase by high-throughput screening. Bioorganic & medicinal chemistry 20090501
Synthesis and antituberculosis activity of 5-methyl/trifluoromethoxy-1H-indole-2,3-dione 3-thiosemicarbazone derivatives. Bioorganic & medicinal chemistry 20081001
Selective inhibition of carboxylesterases by isatins, indole-2,3-diones. Journal of medicinal chemistry 20070419
Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain. Bioorganic & medicinal chemistry letters 20031020
Properties