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30842-84-3

30842-84-3 | Acetonitrile, 2-[2-(8-quinolinyl)diazenyl]-2-[2-(8-quinolinyl)hydrazinylidene]-

CAS No: 30842-84-3 Catalog No: AG0031H9 MDL No:

Product Description

Catalog Number:
AG0031H9
Chemical Name:
Acetonitrile, 2-[2-(8-quinolinyl)diazenyl]-2-[2-(8-quinolinyl)hydrazinylidene]-
CAS Number:
30842-84-3
Molecular Formula:
C20H13N7
Molecular Weight:
351.3641
IUPAC Name:
1-cyano-N'-(quinolin-8-ylamino)-N-quinolin-8-yliminomethanimidamide
InChI:
InChI=1S/C20H13N7/c21-13-18(26-24-16-9-1-5-14-7-3-11-22-19(14)16)27-25-17-10-2-6-15-8-4-12-23-20(15)17/h1-12,24H/b26-18+,27-25?
InChI Key:
FGJZQQLBIYYDAA-YCRUONOCSA-N
SMILES:
N#CC(=NNc1cccc2c1nccc2)N=Nc1cccc2c1nccc2

Properties

Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
351.123g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.373g/mol
Monoisotopic Mass:
351.123g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  

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