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3,5-Diiodo Thyroaldehyde Methyl Ether

CAT: 0024-sc-498713Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-498713Size:25 mg
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CAS Number
69240-57-9

Chemical Information

3,5-Diiodo Thyroaldehyde Methyl Ether
CAS Number69240-57-9
PubChem CID9934845
IUPAC Name3,5-diiodo-4-(4-methoxyphenoxy)benzaldehyde
Molecular FormulaC14H10I2O3
Molecular Weight480.04
XLogP4.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity280
SMILES
COC1=CC=C(C=C1)OC2=C(C=C(C=C2I)C=O)I
InChI
InChI=1S/C14H10I2O3/c1-18-10-2-4-11(5-3-10)19-14-12(15)6-9(8-17)7-13(14)16/h2-8H,1H3
InChIKey
WOSOIEFKQQEDLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Diiodo Thyroaldehyde Methyl Ether
CAS: 69240-57-9
CID: 9934845
Formula: C14H10I2O3
MW: 480.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.04
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass479.87194
Monoisotopic Mass479.87194
Topological Polar Surface Area35.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity280
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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