Home Nitros 3,5-Dinitro-1H-pyrazole

3,5-Dinitro-1H-pyrazole

CAS No.:
38858-89-8
Catalog Number:
AG00C5OS
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$352
- +
1g
95%
1 week
United States
$823
- +
Product Description
Catalog Number:
AG00C5OS
Chemical Name:
3,5-Dinitro-1H-pyrazole
CAS Number:
38858-89-8
Molecular Formula:
C3H2N4O4
Molecular Weight:
158.0724
MDL Number:
MFCD06618360
IUPAC Name:
3,5-dinitro-1H-pyrazole
InChI:
InChI=1S/C3H2N4O4/c8-6(9)2-1-3(5-4-2)7(10)11/h1H,(H,4,5)
InChI Key:
UKZXCZWGGXVKNN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nc(c1)[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:
1  
Isotope Atom Count:
0
Molecular Weight:
158.073g/mol
Monoisotopic Mass:
158.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Quantum chemical studies on the aminopolynitropyrazoles. Journal of molecular modeling 20111001
Properties