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Home > Nitro Compounds > 38859-00-6
38859-00-6 | 3-methyl-4,5-dinitro-1H-pyrazole
CAS No: 38859-00-6 Catalog No: AG019D9G MDL No:MFCD00505594
Product Description
Catalog Number:
AG019D9G
Chemical Name:
3-methyl-4,5-dinitro-1H-pyrazole
CAS Number:
38859-00-6
MDL Number:
MFCD00505594
IUPAC Name:
3-methyl-4,5-dinitro-1H-pyrazole
InChI:
InChI=1S/C4H4N4O4/c1-2-3(7(9)10)4(6-5-2)8(11)12/h1H3,(H,5,6)
InChI Key:
AXIFLJXPRZLOFM-UHFFFAOYSA-N
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:
0.6
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