Phenol, 2-(1-methylheptyl)-4,6-dinitro-


Chemical Name: Phenol, 2-(1-methylheptyl)-4,6-dinitro-
CAS Number: 3687-22-7
Product Number: AG00368M(AGN-PC-0KO64E)
Synonyms:
MDL No:
Molecular Formula: C14H20N2O5
Molecular Weight: 296.3190

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
296.323g/mol
XLogP3:
5.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
296.137g/mol
Monoisotopic Mass:
296.137g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
352
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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



2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL, also known as $name$, is a versatile compound commonly utilized in chemical synthesis for its unique properties. In the realm of organic chemistry, this compound serves as a valuable intermediate that facilitates the creation of various pharmaceuticals, agrochemicals, and specialty chemicals. Its structural characteristics make it particularly suitable for applications where selective reactivity and controlled functional group transformations are required. Additionally, $name$ plays a crucial role in the development of advanced materials and fine chemicals, showcasing its significance in the realm of modern chemical synthesis.