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828268-77-5 | 1H-Imidazole, 2-azido-, mononitrate
CAS No: 828268-77-5 Catalog No: AG0055TR MDL No:
Product Description
Catalog Number:
AG0055TR
Chemical Name:
1H-Imidazole, 2-azido-, mononitrate
CAS Number:
828268-77-5
Molecular Formula:
C3H4N6O3
Molecular Weight:
172.1023
IUPAC Name:
2-azido-1H-imidazole;nitric acid
InChI:
InChI=1S/C3H3N5.HNO3/c4-8-7-3-5-1-2-6-3;2-1(3)4/h1-2H,(H,5,6);(H,2,3,4)
InChI Key:
SGUADUZWKFFZCR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.[N-]=[N+]=Nc1ncc[nH]1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.104g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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