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3,5-Diiodo Thyroaldehyde

CAT: 0024-sc-498711Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-498711Size:10 mg
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CAS Number
2828-49-1

Chemical Information

4-(4-Hydroxyphenoxy)-3,5-diiodobenzaldehyde
CAS Number2828-49-1
PubChem CID71316283
IUPAC Name4-(4-hydroxyphenoxy)-3,5-diiodobenzaldehyde
Molecular FormulaC13H8I2O3
Molecular Weight466.01
XLogP3.9
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity267
SMILES
C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)C=O)I
InChI
InChI=1S/C13H8I2O3/c14-11-5-8(7-16)6-12(15)13(11)18-10-3-1-9(17)2-4-10/h1-7,17H
InChIKey
APQONMRPJGSIJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Hydroxyphenoxy)-3,5-diiodobenzaldehyde
CAS: 2828-49-1
CID: 71316283
Formula: C13H8I2O3
MW: 466.01
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight466.01
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass465.85629
Monoisotopic Mass465.85629
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity267
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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