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Home > Imidazoles > 88538-51-6
88538-51-6 | Ethanone, 1-[3-(5-nitro-1H-benzimidazol-1-yl)phenyl]-
CAS No: 88538-51-6 Catalog No: AG0046NO MDL No:
Product Description
Catalog Number:
AG0046NO
Chemical Name:
Ethanone, 1-[3-(5-nitro-1H-benzimidazol-1-yl)phenyl]-
CAS Number:
88538-51-6
Molecular Formula:
C15H11N3O3
Molecular Weight:
281.2661
IUPAC Name:
1-[3-(5-nitrobenzimidazol-1-yl)phenyl]ethanone
InChI:
InChI=1S/C15H11N3O3/c1-10(19)11-3-2-4-12(7-11)17-9-16-14-8-13(18(20)21)5-6-15(14)17/h2-9H,1H3
InChI Key:
RAYXMSVJBBFSEH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2c1cccc(c1)C(=O)C
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.271g/mol
Monoisotopic Mass:
281.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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