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Home > Imidazoles > 15127-88-5
15127-88-5 | 1H-Benzimidazole, 5-nitro-1-phenyl-
CAS No: 15127-88-5 Catalog No: AG001N8C MDL No:MFCD00179556
Product Description
Catalog Number:
AG001N8C
Chemical Name:
1H-Benzimidazole, 5-nitro-1-phenyl-
CAS Number:
15127-88-5
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD00179556
IUPAC Name:
5-nitro-1-phenylbenzimidazole
InChI:
InChI=1S/C13H9N3O2/c17-16(18)11-6-7-13-12(8-11)14-9-15(13)10-4-2-1-3-5-10/h1-9H
InChI Key:
YXIZJJZDLDWOFR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2c1ccccc1
Properties
Complexity:
312
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:
0
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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