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Home Nitros 2,4-dinitro-3H-imidazole

2,4-dinitro-3H-imidazole

CAS No.:
5213-49-0
Catalog Number:
AG00DE1O
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$1136
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Product Description
Catalog Number:
AG00DE1O
Chemical Name:
2,4-dinitro-3H-imidazole
CAS Number:
5213-49-0
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
MDL Number:
MFCD00516999
IUPAC Name:
2,5-dinitro-1H-imidazole
InChI:
InChI=1S/C3H2N4O4/c8-6(9)2-1-4-3(5-2)7(10)11/h1H,(H,4,5)
InChI Key:
FLDSOXFRYVOGFK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]cc(n1)[N+](=O)[O-]
NSC Number:
342704
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.008g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
158.073g/mol
Monoisotopic Mass:
158.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
A DFT study of aminonitroimidazoles. Journal of molecular modeling 20120201
Computational study of proton and methyl cation affinities of imidazole-based highly energetic ionic liquids. Journal of molecular modeling 20111001
Properties