5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione


Chemical Name: 5-chloro-7-(trifluoromethyl)-1H-indole-2,3-dione
CAS Number: 954586-11-9
Product Number: AG01DO9W(AGN-PC-01687M)
Synonyms:
MDL No:
Molecular Formula: C9H3ClF3NO2
Molecular Weight: 249.5738296

Identification/Properties


Computed Properties
Molecular Weight:
249.573g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
248.98g/mol
Monoisotopic Mass:
248.98g/mol
Topological Polar Surface Area:
46.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
344
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Chloro-7-(trifluoromethyl)indoline-2,3-dione is a versatile compound that plays a crucial role in chemical synthesis. This compound is commonly used as a key building block in the preparation of various pharmaceuticals and agrochemicals due to its unique structural properties. In chemical synthesis, it serves as a valuable intermediate for the creation of complex molecules through diverse synthetic routes. Its electron-dense chloride and trifluoromethyl groups make it a valuable component for introducing specific functionalities into target molecules. Furthermore, the indoline ring confers interesting reactivity and selectivity in various reactions, making this compound highly sought after in the field of organic chemistry.