8-Chloroquinoline

CAT: 0127-OR42189-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR42189-01Size:5 g

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CAS Number

611-33-6

Synonyms

8-Chloro-1-azanaphthalene

MDL Number

MFCD00047618

Purity

98%

Smiles

Clc1cccc2cccnc12

Chemical Information

8-Chloroquinoline

8-chloroquinoline is a member of quinolines and an organochlorine compound.

CAS Number	611-33-6
PubChem CID	69139
IUPAC Name	8-chloroquinoline
Molecular Formula	C9H6ClN
Molecular Weight	163.60
XLogP	2.4
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	138

SMILES

C1=CC2=C(C(=C1)Cl)N=CC=C2

InChI

InChI=1S/C9H6ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H

InChIKey

RUSMDMDNFUYZTM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 611-33-6

CID: 69139

Formula: C9H6ClN

MW: 163.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.60
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	163.0188769
Monoisotopic Mass	163.0188769
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR93833-01	8-Bromo-6-chloroquinoline
OR8709-01	8-Bromo-2-chloroquinoline
OR90814-01	8- (Benzyloxy) -2-chloroquinoline
OR60189-01	8-Bromo-5-chloroquinoline
OR54420-01	8-Amino-5-chloroquinoline
OR307505	8-Bromo-4-chloroquinoline
OR1061186-01	6-chloroquinoline-8-carbaldehyde
OR84052-01	5-Chloroquinoline-8-carbonitrile
OR78139-01	7-Chloroquinoline-8-carbaldehyde
OR87424-01	4-Chloroquinoline-8-carbonitrile

Catalog	Name
sc-300125A	8-Chloroquinoline
EWB74120	8-Bromo-5-chloroquinoline
JH202454	3-Bromo-8-chloroquinoline
sc-300113	8-Bromo-6-chloroquinoline
sc-299722	5-Amino-8-chloroquinoline
sc-483549	6-Bromo-8-chloroquinoline
sc-351568	8- (bromomethyl) -5-chloroquinoline
EHC79080-01	7-bromo-8-chloroquinoline
KAC79421-01	5-Chloroquinoline-8-carbaldehyde
JCA39428	8-Chloroquinoline-2-carbaldehyde