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Chalcone dibromide

CAT: 0013-GTR19235835-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235835-01Size:10 mg
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Description
Chalcone dibromide is a versatile chemical building block for synthesizing bioactive heterocycles like pyrazolines and isoxazoles. It demonstrates antioxidant properties in vitro by inhibiting superoxide and lipid peroxidation, making it a useful tool in cancer research and drug discovery.
CAS Number
611-91-6
Smiles
C (C (C (=O) C1=CC=CC=C1) Br) (Br) C2=CC=CC=C2
Molecular Formula
C15H12Br2O
Molecular Weight
368.06
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Propanone, 2,3-dibromo-1,3-diphenyl-
CAS Number611-91-6
PubChem CID95342
IUPAC Name2,3-dibromo-1,3-diphenylpropan-1-one
Molecular FormulaC15H12Br2O
Molecular Weight368.06
XLogP4.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity268
SMILES
C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Br)Br
InChI
InChI=1S/C15H12Br2O/c16-13(11-7-3-1-4-8-11)14(17)15(18)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey
LYAGBKGGYRLVTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Propanone, 2,3-dibromo-1,3-diphenyl-
CAS: 611-91-6
CID: 95342
Formula: C15H12Br2O
MW: 368.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.06
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass367.92344
Monoisotopic Mass365.92549
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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