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1624261-99-9

1624261-99-9 | Benzeneacetonitrile, 4-(8-bromo-2-methyl-1H-imidazo[4,5-c]quinolin-1-yl)-α,α-dimethyl-

CAS No: 1624261-99-9 Catalog No: AG001T5L MDL No:

Product Description

Catalog Number:
AG001T5L
Chemical Name:
Benzeneacetonitrile, 4-(8-bromo-2-methyl-1H-imidazo[4,5-c]quinolin-1-yl)-α,α-dimethyl-
CAS Number:
1624261-99-9
Molecular Formula:
C21H17BrN4
Molecular Weight:
405.2905
IUPAC Name:
2-[4-(8-bromo-2-methylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
InChI:
InChI=1S/C21H17BrN4/c1-13-25-19-11-24-18-9-6-15(22)10-17(18)20(19)26(13)16-7-4-14(5-8-16)21(2,3)12-23/h4-11H,1-3H3
InChI Key:
FLNZOSVLPXDSKI-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)n1c(C)nc2c1c1cc(Br)ccc1nc2)(C)C

Properties

Complexity:
562  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.064g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.299g/mol
Monoisotopic Mass:
404.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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