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Home > Imidazoles > 87967-69-9
87967-69-9 | Quinoxaline, 6-(2-methyl-5-nitro-1H-benzimidazol-1-yl)-
CAS No: 87967-69-9 Catalog No: AG004E8D MDL No:
Product Description
Catalog Number:
AG004E8D
Chemical Name:
Quinoxaline, 6-(2-methyl-5-nitro-1H-benzimidazol-1-yl)-
CAS Number:
87967-69-9
Molecular Formula:
C16H11N5O2
Molecular Weight:
305.2908
IUPAC Name:
6-(2-methyl-5-nitrobenzimidazol-1-yl)quinoxaline
InChI:
InChI=1S/C16H11N5O2/c1-10-19-15-9-12(21(22)23)3-5-16(15)20(10)11-2-4-13-14(8-11)18-7-6-17-13/h2-9H,1H3
InChI Key:
SMQVURNYTOJULH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)nc(n2c1ccc2c(c1)nccn2)C
Properties
Complexity:
456
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:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.297g/mol
Monoisotopic Mass:
305.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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