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Home > Nitro Compounds > 52944-54-4
52944-54-4 | 4-Nitro-1-(4-nitrophenyl)-1H-pyrazole
CAS No: 52944-54-4 Catalog No: AG01EWD2 MDL No:
Product Description
Catalog Number:
AG01EWD2
Chemical Name:
4-Nitro-1-(4-nitrophenyl)-1H-pyrazole
CAS Number:
52944-54-4
Molecular Formula:
C9H6N4O4
Molecular Weight:
234.1683
IUPAC Name:
4-nitro-1-(4-nitrophenyl)pyrazole
InChI:
InChI=1S/C9H6N4O4/c14-12(15)8-3-1-7(2-4-8)11-6-9(5-10-11)13(16)17/h1-6H
InChI Key:
FUCHUFPDHFDJEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.171g/mol
Monoisotopic Mass:
234.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and anti-tuberculosis activity of N-aryl-C-nitroazoles. | European journal of medicinal chemistry 20041001 |
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