8-Bromo-3-hydroxyisoquinoline

CAT: 0024-sc-475455Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-475455Size:100 mg

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CAS Number

608515-49-7

Chemical Information

8-Bromo-3-hydroxyisoquinoline

CAS Number	608515-49-7
PubChem CID	45790178
IUPAC Name	8-bromo-2H-isoquinolin-3-one
Molecular Formula	C9H6BrNO
Molecular Weight	224.05
XLogP	1
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	361

SMILES

C1=CC2=CC(=O)NC=C2C(=C1)Br

InChI

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

InChIKey

IVDPIQOKPLLJPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 608515-49-7

CID: 45790178

Formula: C9H6BrNO

MW: 224.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.05
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	222.96328
Monoisotopic Mass	222.96328
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	361
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
266292-01	8-Bromo-3-hydroxyisoquinoline
OR300126-01	8-Bromo-1-hydroxyisoquinoline
234978-01	8-Bromo-3-hydroxyisoquinoline ≥95% (HPLC)
438064-01	6-Bromo-3-hydroxyisoquinoline
OR300065-01	5-Bromo-3-hydroxyisoquinoline
OR42115	7-Bromo-3-hydroxyisoquinoline
OR8561-01	8-Hydroxyisoquinoline
OR43642	8-Amino-3-hydroxyisoquinoline
MDC88130-01	3-Hydroxyisoquinoline-8-carboxylic acid
OR17550-01	4-Bromo-1-hydroxyisoquinoline