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89843-51-6 | 1H-Benzimidazole, 2,6-dinitro-
CAS No: 89843-51-6 Catalog No: AG003YRG MDL No:
Product Description
Catalog Number:
AG003YRG
Chemical Name:
1H-Benzimidazole, 2,6-dinitro-
CAS Number:
89843-51-6
Molecular Formula:
C7H4N4O4
Molecular Weight:
208.1311
IUPAC Name:
2,6-dinitro-1H-benzimidazole
InChI:
InChI=1S/C7H4N4O4/c12-10(13)4-1-2-5-6(3-4)9-7(8-5)11(14)15/h1-3H,(H,8,9)
InChI Key:
ZFUAAWQYEHBOGK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.133g/mol
Monoisotopic Mass:
208.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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