Benzene, 1-bromo-4-fluoro-2-methyl-5-nitro-


Chemical Name: Benzene, 1-bromo-4-fluoro-2-methyl-5-nitro-
CAS Number: 170098-98-3
Product Number: AG0039HR(AGN-PC-0MXOHQ)
Synonyms:
MDL No:
Molecular Formula: C7H5BrFNO2
Molecular Weight: 234.0225

Identification/Properties


Computed Properties
Molecular Weight:
234.024g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
232.949g/mol
Monoisotopic Mass:
232.949g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
185
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



1-Bromo-4-fluoro-2-methyl-5-nitrobenzene, a versatile chemical compound used in chemical synthesis, serves as a valuable building block in the creation of various organic compounds. With its distinctive structure and functional groups, this compound finds widespread application in the development of pharmaceuticals, agrochemicals, and advanced materials. As a key intermediate in organic synthesis, its incorporation enables the synthesis of complex molecules with tailored properties and functionalities. Additionally, 1-Bromo-4-fluoro-2-methyl-5-nitrobenzene plays a crucial role in the formation of heterocycles, aromatic compounds, and novel chemical entities, making it an indispensable tool for researchers and chemists in the field.