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12408-11-6

12408-11-6 | Quinoline, nitro-

CAS No: 12408-11-6 Catalog No: AG000LJQ MDL No:

Product Description

Catalog Number:
AG000LJQ
Chemical Name:
Quinoline, nitro-
CAS Number:
12408-11-6
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
IUPAC Name:
3-nitroquinoline
InChI:
InChI=1S/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H
InChI Key:
ZXVRNZRQQRBDLX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(n1)cccc2

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Discovering novel 3-nitroquinolines as a new class of anticancer agents. Acta pharmacologica Sinica 20081201
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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