CAS 21617-18-5 | 4,5-Dichloroquinoline | CAS Number 21617-18-5

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21617-18-5 | 4,5-Dichloroquinoline

CAS No: 21617-18-5 Catalog No: AG0038VY MDL No:MFCD11858577

Product Description

Catalog Number:

AG0038VY

Chemical Name:

4,5-Dichloroquinoline

CAS Number:

21617-18-5

Molecular Formula:

C9H5Cl2N

Molecular Weight:

198.0487

MDL Number:

MFCD11858577

IUPAC Name:

4,5-dichloroquinoline

InChI:

InChI=1S/C9H5Cl2N/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-5H

InChI Key:

SNZMBGPVGUVXRP-UHFFFAOYSA-N

SMILES:

Clc1cccc2c1c(Cl)ccn2

NSC Number:

149794

Properties

Complexity:

163

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.98g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.046g/mol

Monoisotopic Mass:

196.98g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4

Literature

Title	Journal
7-Chloro-4-(piperazin-1-yl)quinoline.	Acta crystallographica. Section E, Structure reports online 20120501
4,7-Dichloro-quinoline.	Acta crystallographica. Section E, Structure reports online 20120501
Identification of an isomer impurity in piperaquine drug substance.	Journal of chromatography. A 20061201