CAS 607-32-9 | 5-Nitroisoquinoline | CAS Number 607-32-9

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607-32-9 | 5-Nitroisoquinoline

CAS No: 607-32-9 Catalog No: AG003MXF MDL No:MFCD00006905

Product Description

Catalog Number:

AG003MXF

Chemical Name:

5-Nitroisoquinoline

CAS Number:

607-32-9

Molecular Formula:

C9H6N2O2

Molecular Weight:

174.1561

MDL Number:

MFCD00006905

IUPAC Name:

5-nitroisoquinoline

InChI:

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

InChI Key:

PYGMPFQCCWBTJQ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc2c1ccnc2

EC Number:

210-133-8

NSC Number:

3017

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:

1.9

Literature

Title	Journal
Experimental and theoretical quantum chemical investigations of 8-hydroxy-5-nitroquinoline.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001
Selective ortho methylation of nitroheteroaryls by vicarious nucleophilic substitution.	The Journal of organic chemistry 20080905
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
Implication of nitro group reduction in the mutagenic and chromosome damaging activities of 22 new 5-nitroisoquinolines by the Salmonella mutagenicity test and the cytokinesis-blocked micronucleus assay.	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20030201
An expeditious synthesis of cytotoxic pyrroloisoquinoline derivatives. Structure-activity comparative studies with isomeric pyrroloquinolines.	European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences 20021101