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Home > Nitro Compounds > 76368-86-0
76368-86-0 | 1H-Pyrazole, 1,5-dimethyl-3,4-dinitro-
CAS No: 76368-86-0 Catalog No: AG005PQ1 MDL No:
Product Description
Catalog Number:
AG005PQ1
Chemical Name:
1H-Pyrazole, 1,5-dimethyl-3,4-dinitro-
CAS Number:
76368-86-0
Molecular Formula:
C5H6N4O4
Molecular Weight:
186.1255
IUPAC Name:
1,5-dimethyl-3,4-dinitropyrazole
InChI:
InChI=1S/C5H6N4O4/c1-3-4(8(10)11)5(9(12)13)6-7(3)2/h1-2H3
InChI Key:
OPCCXVZQEQAIDR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(nn(c1C)C)[N+](=O)[O-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.127g/mol
Monoisotopic Mass:
186.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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