4-Chloroquinoline 1-Oxide

CAT: 0127-OR1026244-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1026244-01Size:100 mg

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CAS Number

4637-59-6

Synonyms

4-chloro-1-oxidoquinolin-1-ium

Purity

98%

Smiles

C1=CC=C2C(=C1)C(=CC=[N+]2[O-])Cl

Chemical Information

Quinoline, 4-chloro-, 1-oxide

CAS Number	4637-59-6
PubChem CID	3741098
IUPAC Name	4-chloro-1-oxidoquinolin-1-ium
Molecular Formula	C9H6ClNO
Molecular Weight	179.60
XLogP	1.1
Topological Polar Surface Area	25.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC=C2C(=C1)C(=CC=[N+]2[O-])Cl

InChI

InChI=1S/C9H6ClNO/c10-8-5-6-11(12)9-4-2-1-3-7(8)9/h1-6H

InChIKey

LRMGFEQLZDIREV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4637-59-6

CID: 3741098

Formula: C9H6ClNO

MW: 179.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.60
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	179.0137915
Monoisotopic Mass	179.0137915
Topological Polar Surface Area	25.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165
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
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OR350455-01	4-Chloroquinoline-6-carbaldehyde
OR43544-01	7-Bromo-4-chloroquinoline
OR1042636-01	8-Chloroquinoline-4-carbaldehyde
OR307509-01	4-Bromo-6-chloroquinoline
OR90952-01	7- (Benzyloxy) -4-chloroquinoline
OR309328-01	3-Bromo-4-chloroquinoline

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