6-nitro-2H-isoquinolin-1-one|928032-23-9,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

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6-nitro-2H-isoquinolin-1-one

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Chemical Name:	6-nitro-2H-isoquinolin-1-one
CAS Number:	928032-23-9
Product Number:	AG00H5C2(AGN-PC-0J0Y8F)
Synonyms:
MDL No:
Molecular Formula:	C9H6N2O3
Molecular Weight:	190.1555

Identification/Properties
Safety Information
NMR Spectrum
Other Analytical Data
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Identification/Properties

Computed Properties

Molecular Weight:

190.158g/mol

XLogP3:

1.2

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

190.038g/mol

Monoisotopic Mass:

190.038g/mol

Topological Polar Surface Area:

74.9A^2

Heavy Atom Count:

Formal Charge:

Complexity:

295

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

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

6-Nitroisoquinolin-1(2H)-one, also known as $name$, is a versatile chemical compound widely used in chemical synthesis. One of its key applications lies in its ability to act as a valuable building block for the synthesis of various organic compounds.Specifically, $name$ serves as a crucial intermediate in the preparation of biologically active molecules, pharmaceuticals, and agrochemicals. Its unique structure and reactivity make it an essential substrate for the development of new drugs and materials.In organic synthesis, $name$ can undergo various transformations such as reduction, substitution, and functional group interconversion to yield a diverse range of products. Its nitro group can serve as a directing group for regioselective reactions, enabling the selective formation of specific chemical bonds.Furthermore, the presence of the isoquinoline scaffold in $name$ imparts interesting biological properties to the products derived from it. This makes it a valuable starting material for medicinal chemistry research and drug discovery efforts.Overall, the application of 6-Nitroisoquinolin-1(2H)-one in chemical synthesis offers a wide array of possibilities for the design and creation of novel molecules with potential applications in the pharmaceutical, agricultural, and materials science industries.