Products for Research Use Only

3-Quinolineboronic acid

CAT: 0013-GTR19254164-01Size: 200 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19254164-01Size:200 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
3-Quinolineboronic acid, with CAS No. 191162-39-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 3-Quinolineboronic acid provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
191162-39-7
Product Name Alternative
3Quinolineboronic acid, 3 Quinolineboronic acid
Purity
98.57% (May vary between batches)
Smiles
OB (O) C1=CC2=CC=CC=C2N=C1
Molecular Formula
C9H8BNO2
Molecular Weight
172.98
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Quinoline-3-boronic acid
CAS Number191162-39-7
PubChem CID2734663
IUPAC Namequinolin-3-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=CC2=CC=CC=C2N=C1)(O)O
InChI
InChI=1S/C9H8BNO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h1-6,12-13H
InChIKey
YGDICLRMNDWZAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinoline-3-boronic acid
CAS: 191162-39-7
CID: 2734663
Formula: C9H8BNO2
MW: 172.98
Interactive 3D Structure
Loading 3D structure...
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