Benzene, 2-bromo-1-chloro-3-fluoro-


Chemical Name: Benzene, 2-bromo-1-chloro-3-fluoro-
CAS Number: 309721-44-6
Product Number: AG0031SO(AGN-PC-03I09Q)
Synonyms:
MDL No:
Molecular Formula: C6H3BrClF
Molecular Weight: 209.4434

Identification/Properties


Computed Properties
Molecular Weight:
209.442g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
207.909g/mol
Monoisotopic Mass:
207.909g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
99.1
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



2-Bromo-1-chloro-3-fluorobenzene, commonly used in chemical synthesis, is a versatile building block in the pharmaceutical and agrochemical industries. This compound serves as a crucial intermediate in the production of various functionalized organic molecules. Its unique structure and reactivity allow it to participate in a range of synthetic transformations, enabling the construction of complex molecular structures with precision and efficiency. Through strategic manipulation of its chemical properties, 2-Bromo-1-chloro-3-fluorobenzene facilitates the synthesis of biologically active compounds and novel materials, contributing significantly to advancements in drug discovery and material science.