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7-Bromoisoquinoline

CAT: 0804-HY-69055Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-69055Size:1 g
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Description
7-Bromoisoquinoline is a drug intermediate that can be used for the synthesis of Cortistatin A[1].
CAS Number
58794-09-5
UNSPSC
12352200
Hazard Statement
H315, H319, H335
Target
Drug Intermediate
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/7-bromoisoquinoline.html
Purity
99.98
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
BrC1=CC2=CN=CC=C2C=C1
Molecular Formula
C9H6BrN
Molecular Weight
208.06
Precautions
H315, H319, H335
References & Citations
[1]Shi J, et al. Scalable synthesis of cortistatin A and related structures. J Am Chem Soc. 2011 May 25;133 (20) :8014-27.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

7-Bromoisoquinoline
CAS Number58794-09-5
PubChem CID12257441
IUPAC Name7-bromoisoquinoline
Molecular FormulaC9H6BrN
Molecular Weight208.05
XLogP2.9
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity138
SMILES
C1=CC(=CC2=C1C=CN=C2)Br
InChI
InChI=1S/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
InChIKey
KABRXLINDSPGDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromoisoquinoline
CAS: 58794-09-5
CID: 12257441
Formula: C9H6BrN
MW: 208.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.05
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass206.96836
Monoisotopic Mass206.96836
Topological Polar Surface Area12.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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