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612-59-9

612-59-9 | 3-Chloroquinoline

CAS No: 612-59-9 Catalog No: AG003JBP MDL No:MFCD00234489

Product Description

Catalog Number:
AG003JBP
Chemical Name:
3-Chloroquinoline
CAS Number:
612-59-9
Molecular Formula:
C9H6ClN
Molecular Weight:
163.6036
MDL Number:
MFCD00234489
IUPAC Name:
3-chloroquinoline
InChI:
InChI=1S/C9H6ClN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H
InChI Key:
FLORQCMDMHHIHN-UHFFFAOYSA-N
SMILES:
Clc1cnc2c(c1)cccc2
NSC Number:
6164

Properties

Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.604g/mol
Monoisotopic Mass:
163.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
2-Chloro-3-[(E)-(hydrazin-1-yl-idene)meth-yl]-6-meth-oxy-quinoline. Acta crystallographica. Section E, Structure reports online 20120501

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