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2，4，6-Triiodobenzene-1，3-diol - ≥95%, high purity , CAS No.19403-92-0
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Not available
Direct Parent
Resorcinols
Alternative Parents
P-iodophenols O-iodophenols Iodobenzenes Aryl iodides Organooxygen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halophenol - 2-halophenol - 2-iodophenol - 4-iodophenol - Resorcinol - Iodobenzene - Halobenzene - Aryl iodide - Aryl halide - Monocyclic benzene moiety - Organoiodide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2,4,6-triiodobenzene-1,3-diol
INCHI
InChI=1S/C6H3I3O2/c7-2-1-3(8)6(11)4(9)5(2)10/h1,10-11H
InChIKey
XKFZYVWWXHCHIX-UHFFFAOYSA-N
Smiles
C1=C(C(=C(C(=C1I)O)I)O)I
Isomeric SMILES
C1=C(C(=C(C(=C1I)O)I)O)I
PubChem CID
152256
Molecular Weight
487.8
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
487.800 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
487.727 Da
Monoisotopic Mass
487.727 Da
Topological Polar Surface Area
40.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
130.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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