1,5-dinitro-2,4-di(propan-2-yl)benzene


Chemical Name: 1,5-dinitro-2,4-di(propan-2-yl)benzene
CAS Number: 77256-78-1
Product Number: AG008NJ4(AGN-PC-0NJYFH)
Synonyms:
MDL No: MFCD07779257
Molecular Formula: C12H16N2O4
Molecular Weight: 252.2664

Identification/Properties


Computed Properties
Molecular Weight:
252.27g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
252.111g/mol
Monoisotopic Mass:
252.111g/mol
Topological Polar Surface Area:
91.6A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
289
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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