CAS 613-50-3 | 6-Nitroquinoline | CAS Number 613-50-3

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613-50-3 | 6-Nitroquinoline

CAS No: 613-50-3 Catalog No: AG003NBJ MDL No:MFCD00006799

Product Description

Catalog Number:

AG003NBJ

Chemical Name:

6-Nitroquinoline

CAS Number:

613-50-3

Molecular Formula:

C9H6N2O2

Molecular Weight:

174.1561

MDL Number:

MFCD00006799

IUPAC Name:

6-nitroquinoline

InChI:

InChI=1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H

InChI Key:

SMHPLBXIVNQFBA-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)cccn2

EC Number:

210-346-6

UNII:

7033583N3J

NSC Number:

4141

Properties

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

174.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

174.159g/mol

Monoisotopic Mass:

174.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Hypoxia-selective, enzymatic conversion of 6-nitroquinoline into a fluorescent helicene: pyrido[3,2-f]quinolino[6,5-c]cinnoline 3-oxide.	The Journal of organic chemistry 20120406
Doping control analysis of tricyclic tetrahydroquinoline-derived selective androgen receptor modulators using liquid chromatography/electrospray ionization tandem mass spectrometry.	Rapid communications in mass spectrometry : RCM 20080801
[Formations and reactions of aromatic furazan compounds].	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20010601