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87967-67-7

87967-67-7 | Quinoxaline, 2,3-dimethyl-6-(5-nitro-1H-benzimidazol-1-yl)-

CAS No: 87967-67-7 Catalog No: AG004E8E MDL No:

Product Description

Catalog Number:
AG004E8E
Chemical Name:
Quinoxaline, 2,3-dimethyl-6-(5-nitro-1H-benzimidazol-1-yl)-
CAS Number:
87967-67-7
Molecular Formula:
C17H13N5O2
Molecular Weight:
319.3174
IUPAC Name:
2,3-dimethyl-6-(5-nitrobenzimidazol-1-yl)quinoxaline
InChI:
InChI=1S/C17H13N5O2/c1-10-11(2)20-15-7-12(3-5-14(15)19-10)21-9-18-16-8-13(22(23)24)4-6-17(16)21/h3-9H,1-2H3
InChI Key:
WMYQNKSDRJHEGI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncn2c1ccc2c(c1)nc(c(n2)C)C

Properties

Complexity:
484  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.107g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.324g/mol
Monoisotopic Mass:
319.107g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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