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Home > Imidazoles > 145861-59-2
145861-59-2 | 1H-Benzimidazole, 6-nitro-2-(3-pyridinyl)-
CAS No: 145861-59-2 Catalog No: AG001DHE MDL No:
Product Description
Catalog Number:
AG001DHE
Chemical Name:
1H-Benzimidazole, 6-nitro-2-(3-pyridinyl)-
CAS Number:
145861-59-2
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
IUPAC Name:
6-nitro-2-pyridin-3-yl-1H-benzimidazole
InChI:
InChI=1S/C12H8N4O2/c17-16(18)9-3-4-10-11(6-9)15-12(14-10)8-2-1-5-13-7-8/h1-7H,(H,14,15)
InChI Key:
IIIXDDOCSBCSNQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]c(n2)c1cccnc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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