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87967-66-6 | Quinoxaline, 6-(5-nitro-1H-benzimidazol-1-yl)-
CAS No: 87967-66-6 Catalog No: AG004E8F MDL No:
Product Description
Catalog Number:
AG004E8F
Chemical Name:
Quinoxaline, 6-(5-nitro-1H-benzimidazol-1-yl)-
CAS Number:
87967-66-6
Molecular Formula:
C15H9N5O2
Molecular Weight:
291.2643
IUPAC Name:
6-(5-nitrobenzimidazol-1-yl)quinoxaline
InChI:
InChI=1S/C15H9N5O2/c21-20(22)11-2-4-15-14(8-11)18-9-19(15)10-1-3-12-13(7-10)17-6-5-16-12/h1-9H
InChI Key:
YYLHJNAPHZMJPD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2c1ccc2c(c1)nccn2
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.076g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.27g/mol
Monoisotopic Mass:
291.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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