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Home > Nitro Compounds > 26621-31-8
26621-31-8 | 4H-1,2,4-Triazole, 4-methyl-3-nitro-
CAS No: 26621-31-8 Catalog No: AG002TUV MDL No:
Product Description
Catalog Number:
AG002TUV
Chemical Name:
4H-1,2,4-Triazole, 4-methyl-3-nitro-
CAS Number:
26621-31-8
Molecular Formula:
C3H4N4O2
Molecular Weight:
128.0895
IUPAC Name:
4-methyl-3-nitro-1,2,4-triazole
InChI:
InChI=1S/C3H4N4O2/c1-6-2-4-5-3(6)7(8)9/h2H,1H3
InChI Key:
LHLOUOBEVNETKW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nncn1C
NSC Number:
153382
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.091g/mol
Monoisotopic Mass:
128.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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