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6-Chloro-4'-methylflavone

CAT: 0926-RBA25531-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-RBA25531-01Size:5 mg
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CAS Number
41255-31-6
MDL Number
MFCD03412339
Smiles
CC1=CC=C (C=C1) C2=CC (=O) C3=C (O2) C=CC (=C3) Cl
Molecular Formula
C16H11ClO2
Molecular Weight
270.71 g/mol
Controlled
No

Chemical Information

6-Chloro-4'-methylflavone
CAS Number41255-31-6
PubChem CID688830
IUPAC Name6-chloro-2-(4-methylphenyl)chromen-4-one
Molecular FormulaC16H11ClO2
Molecular Weight270.71
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)Cl
InChI
InChI=1S/C16H11ClO2/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
USPRHJDYJRDVNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-4'-methylflavone
CAS: 41255-31-6
CID: 688830
Formula: C16H11ClO2
MW: 270.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.71
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass270.0447573
Monoisotopic Mass270.0447573
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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