1H-Inden-1-one, 4-bromo-6-fluoro-2,3-dihydro-


Chemical Name: 1H-Inden-1-one, 4-bromo-6-fluoro-2,3-dihydro-
CAS Number: 174603-56-6
Product Number: AG001ZSO(AGN-PC-00FT6Q)
Synonyms:
MDL No:
Molecular Formula: C9H6BrFO
Molecular Weight: 229.0457

Identification/Properties


Computed Properties
Molecular Weight:
229.048g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
227.959g/mol
Monoisotopic Mass:
227.959g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
207
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-bromo-6-fluoro-2,3-dihydro-1H-Inden-1-one is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. In organic chemistry, this compound serves as a valuable building block for the synthesis of various heterocyclic compounds and pharmaceuticals. Its bromine and fluorine substituents play a crucial role in directing regioselectivity and enhancing the overall yield of the reaction. With its carefully designed chemical structure, 4-bromo-6-fluoro-2,3-dihydro-1H-Inden-1-one offers chemists a powerful tool for creating complex molecular architectures with precision and efficiency. Its applications extend to the development of new materials, agrochemicals, and other specialized products, making it a key component in modern chemical synthesis strategies.