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5-Quinolinylboronic acid

CAT: 0013-GTR19245570-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245570-01Size:1 g
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Description
5-Quinolinylboronic acid is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
355386-94-6
Smiles
OB (O) C1=C2C=CC=NC2=CC=C1
Molecular Formula
C9H8BNO2
Molecular Weight
172.976
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quinolin-5-ylboronic acid
CAS Number355386-94-6
PubChem CID5153389
IUPAC Namequinolin-5-ylboronic acid
Molecular FormulaC9H8BNO2
Molecular Weight172.98
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity177
SMILES
B(C1=C2C=CC=NC2=CC=C1)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)8-4-1-5-9-7(8)3-2-6-11-9/h1-6,12-13H
InChIKey
NWIJBOCPTGHGIK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinolin-5-ylboronic acid
CAS: 355386-94-6
CID: 5153389
Formula: C9H8BNO2
MW: 172.98
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.98
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass173.0648087
Monoisotopic Mass173.0648087
Topological Polar Surface Area53.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity177
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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