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Home > Nitro Compounds > 1246853-06-4
1246853-06-4 | 4-methyl-3,5-dinitro-1H-pyrazole
CAS No: 1246853-06-4 Catalog No: AG019D9F MDL No:MFCD12548028
Product Description
Catalog Number:
AG019D9F
Chemical Name:
4-methyl-3,5-dinitro-1H-pyrazole
CAS Number:
1246853-06-4
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
MDL Number:
MFCD12548028
IUPAC Name:
4-methyl-3,5-dinitro-1H-pyrazole
InChI:
InChI=1S/C4H4N4O4/c1-2-3(7(9)10)5-6-4(2)8(11)12/h1H3,(H,5,6)
InChI Key:
KJTRRSGZDBAWLP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nc(c1C)[N+](=O)[O-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.1g/mol
Monoisotopic Mass:
172.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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