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Home > Imidazoles > 824394-56-1
824394-56-1 | 1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-nitro-
CAS No: 824394-56-1 Catalog No: AG008JVR MDL No:
Product Description
Catalog Number:
AG008JVR
Chemical Name:
1H-Benzimidazole, 2-[2-(1H-imidazol-2-yl)phenyl]-5-nitro-
CAS Number:
824394-56-1
Molecular Formula:
C16H11N5O2
Molecular Weight:
305.2908
IUPAC Name:
2-[2-(1H-imidazol-2-yl)phenyl]-6-nitro-1H-benzimidazole
InChI:
InChI=1S/C16H11N5O2/c22-21(23)10-5-6-13-14(9-10)20-16(19-13)12-4-2-1-3-11(12)15-17-7-8-18-15/h1-9H,(H,17,18)(H,19,20)
InChI Key:
RWVPQPBWIJAEMP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc([nH]2)c1ccccc1c1ncc[nH]1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.297g/mol
Monoisotopic Mass:
305.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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