CAS 613-51-4 | 7-Nitroquinoline | CAS Number 613-51-4

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613-51-4 | 7-Nitroquinoline

CAS No: 613-51-4 Catalog No: AG003729 MDL No:MFCD00234498

Product Description

Catalog Number:

AG003729

Chemical Name:

7-Nitroquinoline

CAS Number:

613-51-4

Molecular Formula:

C9H6N2O2

Molecular Weight:

174.1561

MDL Number:

MFCD00234498

IUPAC Name:

7-nitroquinoline

InChI:

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

InChI Key:

MXKZSCXYMSXOAO-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1ccc2c(c1)nccc2

NSC Number:

137449

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
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
[Formations and reactions of aromatic furazan compounds].	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20010601