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6-Bromo-4-hydroxyquinolin-2 (1H) -one

CAT: 0013-GTR19254416-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254416-01Size:200 mg
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Description
6-Bromo-4-hydroxyquinolin-2 (1H) -one , with CAS No. 54675-23-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 6-Bromo-4-hydroxyquinolin-2 (1H) -one 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
54675-23-9
Product Name Alternative
Compound 54675 23 9, Compound 54675239
Purity
99.93% (May vary between batches)
Smiles
OC1=CC (=O) NC2=CC=C (Br) C=C12
Molecular Formula
C9H6BrNO2
Molecular Weight
240.056
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

6-Bromo-4-hydroxyquinolin-2(1H)-one

6-Bromo-4-hydroxyquinolin-2(1H)-one has been reported in Hyrtios erectus with data available.

CAS Number54675-23-9
PubChem CID54689446
IUPAC Name6-bromo-4-hydroxy-1H-quinolin-2-one
Molecular FormulaC9H6BrNO2
Molecular Weight240.05
XLogP1.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity264
SMILES
C1=CC2=C(C=C1Br)C(=CC(=O)N2)O
InChI
InChI=1S/C9H6BrNO2/c10-5-1-2-7-6(3-5)8(12)4-9(13)11-7/h1-4H,(H2,11,12,13)
InChIKey
DQFPMEMMMGZBKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-4-hydroxyquinolin-2(1H)-one
CAS: 54675-23-9
CID: 54689446
Formula: C9H6BrNO2
MW: 240.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.05
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass238.95819
Monoisotopic Mass238.95819
Topological Polar Surface Area49.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity264
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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