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612-57-7 | 6-Chloroquinoline
CAS No: 612-57-7 Catalog No: AG003N6Z MDL No:MFCD00024024
Product Description
Catalog Number:
AG003N6Z
Chemical Name:
6-Chloroquinoline
CAS Number:
612-57-7
Molecular Formula:
C9H6ClN
Molecular Weight:
163.6036
MDL Number:
MFCD00024024
IUPAC Name:
6-chloroquinoline
InChI:
InChI=1S/C9H6ClN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
InChI Key:
GKJSZXGYFJBYRQ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cccn2
EC Number:
210-314-1
UNII:
K4A4BAU5SE
NSC Number:
4682
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:
2.7
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495). | ChemMedChem 20111104 |
| 1-{6-Chloro-2-[(2-chloro-8-methyl-3-quinol-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone. | Acta crystallographica. Section E, Structure reports online 20100801 |
| 1-{6-Chloro-2-[(2-chloro-3-quinol-yl)meth-oxy]-4-phenyl-3-quinol-yl}ethan-1-one. | Acta crystallographica. Section E, Structure reports online 20100701 |
| 1-{6-Chloro-2-[(2-chloro-6-methyl-quinolin-3-yl)meth-oxy]-4-phenyl-quinolin-3-yl}ethanone. | Acta crystallographica. Section E, Structure reports online 20100701 |
| Palladium charcoal-catalyzed Suzuki-Miyaura coupling to obtain arylpyridines and arylquinolines. | The Journal of organic chemistry 20031128 |
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