Home Nitros 1,3-Dinitro-1H-pyrazole

1,3-Dinitro-1H-pyrazole

CAS No.:
38858-81-0
Catalog Number:
AG00BXRZ
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
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Product Description
Catalog Number:
AG00BXRZ
Chemical Name:
1,3-Dinitro-1H-pyrazole
CAS Number:
38858-81-0
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
MDL Number:
MFCD00297297
IUPAC Name:
1,3-dinitropyrazole
InChI:
InChI=1S/C3H2N4O4/c8-6(9)3-1-2-5(4-3)7(10)11/h1-2H
InChI Key:
WDETXHQYBSBUJC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)[N+](=O)[O-]
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:
0
Isotope Atom Count:
0
Molecular Weight:
158.073g/mol
Monoisotopic Mass:
158.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties