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Home > Nitro Compounds > 14531-55-6
14531-55-6 | 1H-Pyrazole, 3,5-dimethyl-4-nitro-
CAS No: 14531-55-6 Catalog No: AG001KSI MDL No:MFCD00052513
Product Description
Catalog Number:
AG001KSI
Chemical Name:
1H-Pyrazole, 3,5-dimethyl-4-nitro-
CAS Number:
14531-55-6
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD00052513
IUPAC Name:
3,5-dimethyl-4-nitro-1H-pyrazole
InChI:
InChI=1S/C5H7N3O2/c1-3-5(8(9)10)4(2)7-6-3/h1-2H3,(H,6,7)
InChI Key:
OFQCJVVJRNPSET-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)n[nH]c1C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Michael-type addition of azoles of broad-scale acidity to methyl acrylate. | Beilstein journal of organic chemistry 20110101 |
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