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2,6-Diiodophenol

CAT: 0572-TRC-D458920-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D458920-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28177-54-0
Synonyms
Phenol, 2,6-diiodo-; 2,6-Diiodophenol
Hazard Statement
Harmful if swallowed.
Smiles
Oc1c(I)cccc1I
Molecular Formula
C6 H4 I2 O
Molecular Weight
345.9
InChI
InChI=1S/C6H4I2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
Additionnal Information
IUPAC name: 2,6-diiodophenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,6-Diiodophenol
CAS Number28177-54-0
PubChem CID10405322
IUPAC Name2,6-diiodophenol
Molecular FormulaC6H4I2O
Molecular Weight345.90
XLogP2.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=CC(=C(C(=C1)I)O)I
InChI
InChI=1S/C6H4I2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
VMGBDTCTVUUNAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Diiodophenol
CAS: 28177-54-0
CID: 10405322
Formula: C6H4I2O
MW: 345.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.90
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass345.83516
Monoisotopic Mass345.83516
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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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Alternative Products

CatalogName
AR-T05019-012,6-Diiodophenol
PC1025745-012-Fluoro-3,6-diiodophenol
OR1030027-014-Bromo-2,6-diiodophenol
OR89849-014-Chloro-2,6-diiodophenol
OR10547552-Chloro-4,6-diiodophenol
OR1078711-014- (Hydroxymethyl) -2,6-diiodophenol
CAA297824-Amino-2,6-diiodophenol
PC10251544-fluoro-2,6-diiodophenol
OR4002643-Bromo-2,6-diiodophenol
OR1051877-014-tert-Butyl-2,6-diiodophenol

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