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Home > Nitro Compounds > 26621-44-3
26621-44-3 | 1H-Pyrazole, 3-nitro-
CAS No: 26621-44-3 Catalog No: AG002TUQ MDL No:MFCD00238787
Product Description
Catalog Number:
AG002TUQ
Chemical Name:
1H-Pyrazole, 3-nitro-
CAS Number:
26621-44-3
Molecular Formula:
C3H3N3O2
Molecular Weight:
113.0748
MDL Number:
MFCD00238787
IUPAC Name:
5-nitro-1H-pyrazole
InChI:
InChI=1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5)
InChI Key:
MZRUFMBFIKGOAL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[nH]n1
EC Number:
640-509-0
Properties
Complexity:
99.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.023g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
113.076g/mol
Monoisotopic Mass:
113.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A simple approach for predicting impact sensitivity of polynitroheteroarenes. | Journal of hazardous materials 20090730 |
| Inhibition of mitochondrial complex II affects dopamine metabolism and decreases its uptake into striatal synaptosomes. | Folia neuropathologica 20060101 |
| Cytotoxic activity of 3-nitropyrazolo[5,1-c][1,2,4]benzotriazine derivatives: a new series of anti-proliferative agents. | Anti-cancer drugs 20050701 |
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