Benzene, 1,1'-oxybis[4-nitro-


Chemical Name: Benzene, 1,1'-oxybis[4-nitro-
CAS Number: 101-63-3
Product Number: AG0003G2(AGN-PC-0JK85B)
Synonyms:
MDL No:
Molecular Formula: C12H8N2O5
Molecular Weight: 260.2023

Identification/Properties


Computed Properties
Molecular Weight:
260.205g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
260.043g/mol
Monoisotopic Mass:
260.043g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
290
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



1,1′-Oxybis[4-nitrobenzene] is a versatile compound widely used in chemical synthesis for its unique properties and reactions. As a key building block in organic chemistry, this molecule plays a crucial role in the creation of various pharmaceuticals, agrochemicals, and advanced materials. Its ability to undergo nitration, reduction, and substitution reactions makes it an essential reagent in the synthesis of complex organic molecules. Additionally, 1,1′-Oxybis[4-nitrobenzene] can be utilized in the preparation of dyes, resins, and polymers, highlighting its significance in industrial applications. This compound's diverse reactivity and compatibility with various functional groups make it a valuable tool for chemists seeking to design and develop novel compounds with specific properties and functionalities.