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Home > Nitro Compounds > 116061-62-2
116061-62-2 | [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-
CAS No: 116061-62-2 Catalog No: AG000BJP MDL No:
Product Description
Catalog Number:
AG000BJP
Chemical Name:
[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-
CAS Number:
116061-62-2
Molecular Formula:
C5H4N6O3
Molecular Weight:
196.1237
IUPAC Name:
1-methyl-3-nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
InChI:
InChI=1S/C5H4N6O3/c1-9-5-6-2-7-10(5)4(12)3(8-9)11(13)14/h2H,1H3
InChI Key:
BCKMMROKSGOWJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(C)c2n(c1=O)ncn2
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.126g/mol
Monoisotopic Mass:
196.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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