4(1H)-Quinazolinone, 2-ethenyl-


Chemical Name: 4(1H)-Quinazolinone, 2-ethenyl-
CAS Number: 91634-12-7
Product Number: AG00GRI3(AGN-PC-0L09K4)
Synonyms:
MDL No:
Molecular Formula: C10H8N2O
Molecular Weight: 172.1833

Identification/Properties


Properties
MP:
>200°C (dec.)
BP:
315.4 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
172.187g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
172.064g/mol
Monoisotopic Mass:
172.064g/mol
Topological Polar Surface Area:
41.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
270
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



4(3H)-Quinazolinone, 2-ethenyl- is a versatile chemical compound that finds widespread application in organic chemical synthesis. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and advanced materials. Its unique chemical structure allows for the introduction of functional groups, making it a valuable intermediate in the synthesis of complex organic molecules. Additionally, 4(3H)-Quinazolinone, 2-ethenyl- is utilized in the development of new catalysts and ligands for use in homogeneous catalysis. Its role in chemical synthesis highlights its importance in driving innovation and discovery in the field of organic chemistry.