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4′-Bromoflavone

CAT: 0013-GTR19189464-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19189464-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
4′-Bromoflavone
CAS Number
20525-20-6
Purity
97.67% (May vary between batches)
Smiles
O=C1C=C (OC=2C=CC=CC12) C=3C=CC (Br) =CC3
Molecular Formula
C15H9BrO2
Molecular Weight
301.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4'-Bromoflavone

4'-bromoflavone has been reported in Bruguiera gymnorhiza and Nocardiopsis with data available.

CAS Number20525-20-6
PubChem CID1686
IUPAC Name2-(4-bromophenyl)chromen-4-one
Molecular FormulaC15H9BrO2
Molecular Weight301.13
XLogP4.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity356
SMILES
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C15H9BrO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChIKey
URZUAHXELZUWFE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4'-Bromoflavone
CAS: 20525-20-6
CID: 1686
Formula: C15H9BrO2
MW: 301.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.13
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass299.97859
Monoisotopic Mass299.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity356
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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