Phenol, 2,4-bis(1,1-dimethylethyl)-6-nitro-


Chemical Name: Phenol, 2,4-bis(1,1-dimethylethyl)-6-nitro-
CAS Number: 20039-94-5
Product Number: AG002CQ1(AGN-PC-0JTV2W)
Synonyms:
MDL No:
Molecular Formula: C14H21NO3
Molecular Weight: 251.3214

Identification/Properties


Computed Properties
Molecular Weight:
251.326g/mol
XLogP3:
5.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
251.152g/mol
Monoisotopic Mass:
251.152g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
309
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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