4-Bromoquinoline 1-oxide

CAT: 0127-OR1066623-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1066623-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

22614-98-8

Purity

90%

Smiles

BrC1=C2C=CC=CC2=[N+]([O-])C=C1

Chemical Information

4-Bromoquinoline 1-oxide

CAS Number	22614-98-8
PubChem CID	12493030
IUPAC Name	4-bromo-1-oxidoquinolin-1-ium
Molecular Formula	C9H6BrNO
Molecular Weight	224.05
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-])Br

InChI

InChI=1S/C9H6BrNO/c10-8-5-6-11(12)9-4-2-1-3-7(8)9/h1-6H

InChIKey

TVKJUZLWHSECDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22614-98-8

CID: 12493030

Formula: C9H6BrNO

MW: 224.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.05
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	222.96328
Monoisotopic Mass	222.96328
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
OR1004637	3-Bromoquinoline 1-oxide
OR1093328-01	6-Bromoquinoline-N-oxide
OR8603-01	4-Bromoquinoline
OR1046062-01	4-Bromoquinoline-7-carbonitrile
OR85041-01	4-Bromoquinoline-8-carbonitrile
OR1040629-01	8-Bromoquinoline-4-carbaldehyde
OR1040626-01	2-Bromoquinoline-4-carbonitrile
OR309338-01	4-Amino-3-bromoquinoline
OR60190-01	6-Amino-4-bromoquinoline
OR40009	2-Amino-4-bromoquinoline

Catalog	Name
424715-01	3-Bromoquinoline-1-oxide
RDA19551-01	4-Thiepanone 1-oxide
T35366-01	4-Nitroquinoline 1-oxide
275359-01	4-Ethylpyridine 1-oxide
TRC-P991500-500MG	4-Pyridinecarboxamide 1-Oxide
RG-C250106-01	4-Cyanopyridine 1-Oxide
MBS9022338-01	4-Bromopyridine 1-oxide
RG-M050808-01	4-Methylpyridine 1-Oxide
RG-C011803-01	4-Carboxypyridine 1-Oxide
TRC-A743765-50MG	Abemaciclib N-Oxide (4-Ethyl-1-oxide)