8-Bromoquinolin-5-ol

CAT: 0926-REA83628-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-REA83628-01Size:50 mg

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CAS Number

116836-28-3

MDL Number

MFCD18413589

Smiles

C1=CC2=C (C=CC (=C2N=C1) Br) O

Molecular Formula

C9H6BrNO

Molecular Weight

224.05 g/mol

Controlled

Chemical Information

8-Bromoquinolin-5-ol

CAS Number	116836-28-3
PubChem CID	135742169
IUPAC Name	8-bromoquinolin-5-ol
Molecular Formula	C9H6BrNO
Molecular Weight	224.05
XLogP	2.9
Topological Polar Surface Area	33.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	165

SMILES

C1=CC2=C(C=CC(=C2N=C1)Br)O

InChI

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

InChIKey

PQDUEAPSAXAQOY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116836-28-3

CID: 135742169

Formula: C9H6BrNO

MW: 224.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.05
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	222.96328
Monoisotopic Mass	222.96328
Topological Polar Surface Area	33.1 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
PFA39962-01	3-bromoquinolin-8-ol
PFA39961	2-Bromoquinolin-8-ol
LAC76830-01	8-Bromoquinolin-3-ol
LAC73377-01	5-Bromoquinolin-3-ol
FB127216-01	5-Bromoquinolin-8-amine
XLA76076	5-Bromoquinolin-8-amine hydrochloride
LAC48770-01	7-Bromoquinolin-3-ol
HBA43561-01	4-bromoquinolin-3-ol
KAC38168-01	2-Bromoquinolin-6-ol
PCA96547	3-Bromoquinolin-4-ol