Benzene, 1-fluoro-2-[(1E)-2-nitroethenyl]-


Chemical Name: Benzene, 1-fluoro-2-[(1E)-2-nitroethenyl]-
CAS Number: 192818-72-7
Product Number: AG019XO8(AGN-PC-0O6ANR)
Synonyms:
MDL No:
Molecular Formula: C8H6FNO2
Molecular Weight: 167.1371

Identification/Properties


Computed Properties
Molecular Weight:
167.139g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
167.038g/mol
Monoisotopic Mass:
167.038g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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



(E)-1-Fluoro-2-(2-nitrovinyl)benzene is a valuable chemical compound that finds multiple applications in organic synthesis. This compound, with its unique structure and properties, serves as a versatile building block for the creation of various complex organic molecules. In chemical synthesis, (E)-1-Fluoro-2-(2-nitrovinyl)benzene can be used as a key intermediate in the preparation of a wide range of fluorinated organic compounds. Its fluoro and nitro functionalities make it an important reagent in the synthesis of pharmaceuticals, agrochemicals, and materials with specialized properties. Additionally, the presence of the vinyl group provides opportunities for further derivatization, enabling the incorporation of diverse functional groups into the final products. The utilization of (E)-1-Fluoro-2-(2-nitrovinyl)benzene in chemical synthesis highlights its significance as a valuable tool for the construction of intricate molecular structures and the development of novel chemical entities.