6-Bromoquinoline

CAT: 0024-sc-207101Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-207101Size:1 g

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CAS Number

5332-25-2

Chemical Information

6-Bromoquinoline

CAS Number	5332-25-2
PubChem CID	79243
IUPAC Name	6-bromoquinoline
Molecular Formula	C9H6BrN
Molecular Weight	208.05
XLogP	2.8
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=CC(=C2)Br)N=C1

InChI

InChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H

InChIKey

IFIHYLCUKYCKRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5332-25-2

CID: 79243

Formula: C9H6BrN

MW: 208.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.05
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	206.96836
Monoisotopic Mass	206.96836
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
TRC-B686880-1G	6-Bromoquinoline
OR1012003-01	6-Bromoquinoline Hydrochloride
438242-01	6-Bromoquinoline, HCl
YDA94891-01	6-Bromoquinoline-2-carboxaldehyde
WXB15568	6-Bromoquinoline-3-carbaldehyde
442880-01	Bis (6-Bromoquinoline) sulfate
OR85189-01	6-Bromoquinoline-5-carbonitrile
ACA35839	5-Amino-6-bromoquinoline
GCC60690-01	6-bromoquinoline-8-carbaldehyde
234596-01	6-Bromoquinoline 98+% (GC)