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3,5-Diiodo-4-hydroxybenzaldehyde

CAT: 0572-TRC-D455080-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D455080-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1948-40-9
Synonyms
4-Hydroxy-3,5-diiodo-benzaldehyde; 4-Hydroxy-3,5-diiodobenzaldehyde; NSC 72943;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
Oc1c(I)cc(C=O)cc1I
Molecular Formula
C7H4I2O2
Molecular Weight
373.91
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Hydroxy-3,5-diiodobenzaldehyde
CAS Number1948-40-9
PubChem CID74760
IUPAC Name4-hydroxy-3,5-diiodobenzaldehyde
Molecular FormulaC7H4I2O2
Molecular Weight373.91
XLogP1.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity139
SMILES
C1=C(C=C(C(=C1I)O)I)C=O
InChI
InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey
WHLUEIMENHLCMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3,5-diiodobenzaldehyde
CAS: 1948-40-9
CID: 74760
Formula: C7H4I2O2
MW: 373.91
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight373.91
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass373.83007
Monoisotopic Mass373.83007
Topological Polar Surface Area37.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity139
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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