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Home > Nitro Compounds > 26621-32-9
26621-32-9 | 1H-1,2,4-Triazole, 3,5-dinitro-
CAS No: 26621-32-9 Catalog No: AG002TUU MDL No:
Product Description
Catalog Number:
AG002TUU
Chemical Name:
1H-1,2,4-Triazole, 3,5-dinitro-
CAS Number:
26621-32-9
Molecular Formula:
C2HN5O4
Molecular Weight:
159.0604
IUPAC Name:
3,5-dinitro-1H-1,2,4-triazole
InChI:
InChI=1S/C2HN5O4/c8-6(9)1-3-2(5-4-1)7(10)11/h(H,3,4,5)
InChI Key:
SXMBECNFEHPCNP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]nc(n1)[N+](=O)[O-]
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.003g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.061g/mol
Monoisotopic Mass:
159.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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