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Home > Imidazoles > 15456-62-9
15456-62-9 | 2-(3-NITRO-PHENYL)-1H-BENZOIMIDAZOLE
CAS No: 15456-62-9 Catalog No: AG00AMM0 MDL No:MFCD00123412
Product Description
Catalog Number:
AG00AMM0
Chemical Name:
2-(3-NITRO-PHENYL)-1H-BENZOIMIDAZOLE
CAS Number:
15456-62-9
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD00123412
IUPAC Name:
2-(3-nitrophenyl)-1H-benzimidazole
InChI:
InChI=1S/C13H9N3O2/c17-16(18)10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)15-13/h1-8H,(H,14,15)
InChI Key:
GPFINXAYWOKPKM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nc2c([nH]1)cccc2
NSC Number:
128761
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Synthesis and QSAR evaluation of 2-(substituted phenyl)-1H-benzimidazoles and [2-(substituted phenyl)-benzimidazol-1-yl]-pyridin-3-yl-methanones. | European journal of medicinal chemistry 20090301 |
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