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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:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.046g/mol
Monoisotopic Mass:
196.98g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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 |
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