Benzonitrile, 4-amino-3,5-difluoro-


Chemical Name: Benzonitrile, 4-amino-3,5-difluoro-
CAS Number: 110301-23-0
Product Number: AG007DDA(AGN-PC-0JP4YS)
Synonyms:
MDL No:
Molecular Formula: C7H4F2N2
Molecular Weight: 154.1169

Identification/Properties


Computed Properties
Molecular Weight:
154.12g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
154.034g/mol
Monoisotopic Mass:
154.034g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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

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NMR Spectrum


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Chemical Structure



4-Amino-3,5-difluorobenzonitrile is a versatile compound widely used in chemical synthesis as a key building block for the creation of various pharmaceuticals, agrochemicals, and materials. Its unique properties make it a valuable intermediate in the production of diverse organic compounds. In chemical synthesis, 4-Amino-3,5-difluorobenzonitrile serves as a crucial starting material for the synthesis of complex molecules through various synthetic routes. Its presence enables the introduction of amino and difluorophenyl groups into target molecules, allowing for the development of novel chemical structures with potential biological activities. The application of 4-Amino-3,5-difluorobenzonitrile in chemical synthesis plays a vital role in expanding the scope of organic chemistry and facilitating the generation of innovative compounds with diverse applications.