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Home > Imidazoles > 91485-28-8
91485-28-8 | 2,1,3-Benzoxadiazole, 4-(1H-imidazol-1-yl)-7-nitro-
CAS No: 91485-28-8 Catalog No: AG006LY4 MDL No:
Product Description
Catalog Number:
AG006LY4
Chemical Name:
2,1,3-Benzoxadiazole, 4-(1H-imidazol-1-yl)-7-nitro-
CAS Number:
91485-28-8
Molecular Formula:
C9H5N5O3
Molecular Weight:
231.1677
IUPAC Name:
7-imidazol-1-yl-4-nitro-2,1,3-benzoxadiazole
InChI:
InChI=1S/C9H5N5O3/c15-14(16)7-2-1-6(13-4-3-10-5-13)8-9(7)12-17-11-8/h1-5H
InChI Key:
CYQFGHMJSWAADE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1non2)n1cncc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.171g/mol
Monoisotopic Mass:
231.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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