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6-Bromo-4'-methylflavone

CAT: 0926-RBA25532-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-RBA25532-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41255-32-7
MDL Number
MFCD03412040
Smiles
CC1=CC=C (C=C1) C2=CC (=O) C3=C (O2) C=CC (=C3) Br
Molecular Formula
C16H11BrO2
Molecular Weight
315.16 g/mol
Controlled
No

Chemical Information

6-Bromo-4'-methylflavone
CAS Number41255-32-7
PubChem CID688746
IUPAC Name6-bromo-2-(4-methylphenyl)chromen-4-one
Molecular FormulaC16H11BrO2
Molecular Weight315.16
XLogP5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity382
SMILES
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Br
InChI
InChI=1S/C16H11BrO2/c1-10-2-4-11(5-3-10)16-9-14(18)13-8-12(17)6-7-15(13)19-16/h2-9H,1H3
InChIKey
XSBPYQNXBLNZCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-4'-methylflavone
CAS: 41255-32-7
CID: 688746
Formula: C16H11BrO2
MW: 315.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.16
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass313.99424
Monoisotopic Mass313.99424
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity382
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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