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Home > Nitro Compounds > 2075-46-9
2075-46-9 | 1H-Pyrazole, 4-nitro-
CAS No: 2075-46-9 Catalog No: AG002J3L MDL No:MFCD00159626
Product Description
Catalog Number:
AG002J3L
Chemical Name:
1H-Pyrazole, 4-nitro-
CAS Number:
2075-46-9
Molecular Formula:
C3H3N3O2
Molecular Weight:
113.0748
MDL Number:
MFCD00159626
IUPAC Name:
4-nitro-1H-pyrazole
InChI:
InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)
InChI Key:
XORHNJQEWQGXCN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]nc1
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:
0.6
Literature
| Title | Journal |
|---|---|
| Michael-type addition of azoles of broad-scale acidity to methyl acrylate. | Beilstein journal of organic chemistry 20110101 |
| Reactions of nitroheteroarenes with carbanions: bridging aromatic, heteroaromatic, and vinylic electrophilicity. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| Inhibitive properties and surface morphology of a group of heterocyclic diazoles as inhibitors for acidic iron corrosion. | Langmuir : the ACS journal of surfaces and colloids 20051220 |
| Synthesis and anti-tuberculosis activity of N-aryl-C-nitroazoles. | European journal of medicinal chemistry 20041001 |
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