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828268-60-6 | 1H-1,2,4-Triazole, 3-azido-, mononitrate
CAS No: 828268-60-6 Catalog No: AG004XKR MDL No:
Product Description
Catalog Number:
AG004XKR
Chemical Name:
1H-1,2,4-Triazole, 3-azido-, mononitrate
CAS Number:
828268-60-6
Molecular Formula:
C2H3N7O3
Molecular Weight:
173.0903
IUPAC Name:
5-azido-1H-1,2,4-triazole;nitric acid
InChI:
InChI=1S/C2H2N6.HNO3/c3-8-7-2-4-1-5-6-2;2-1(3)4/h1H,(H,4,5,6);(H,2,3,4)
InChI Key:
FLWJTPRUOXMANU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.[N-]=[N+]=Nc1n[nH]cn1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.092g/mol
Monoisotopic Mass:
173.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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