CAS 2005-43-8 | Quinoline, 2-bromo- | CAS Number 2005-43-8

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2005-43-8 | Quinoline, 2-bromo-

CAS No: 2005-43-8 Catalog No: AG002CTM MDL No:MFCD00234480

Product Description

Catalog Number:

AG002CTM

Chemical Name:

Quinoline, 2-bromo-

CAS Number:

2005-43-8

Molecular Formula:

C9H6BrN

Molecular Weight:

208.0546

MDL Number:

MFCD00234480

IUPAC Name:

2-bromoquinoline

InChI:

InChI=1S/C9H6BrN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H

InChI Key:

QKJAZPHKNWSXDF-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(n1)cccc2

Properties

Complexity:

138

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.968g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.058g/mol

Monoisotopic Mass:

206.968g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
Identification, design and biological evaluation of bisaryl quinolones targeting Plasmodium falciparum type II NADH:quinone oxidoreductase (PfNDH2).	Journal of medicinal chemistry 20120308
Identification, design and biological evaluation of heterocyclic quinolones targeting Plasmodium falciparum type II NADH:quinone oxidoreductase (PfNDH2).	Journal of medicinal chemistry 20120308
Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335.	The Journal of biological chemistry 20110401