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2-(2'，3'，5'-triiodobenzoyl)ethyl methacrylate - ≥95%, high purity , CAS No.161042-10-0

COA

Grade & Purity:

≥95%

Cas Number: 161042-10-0
PubChem CID: 127920

In stock

Item Number

E769742

Grouped product items
SKU	Size	Availability	Price
E769742-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$208.90
E769742-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$346.90
E769742-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$832.90
E769742-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,496.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Iodobenzenes Dicarboxylic acids and derivatives Aryl iodides Vinylogous halides Enoate esters Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Iodobenzene - Halobenzene - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organoiodide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(2-methylprop-2-enoyloxy)ethyl 2,3,5-triiodobenzoate
INCHI	InChI=1S/C13H11I3O4/c1-7(2)12(17)19-3-4-20-13(18)9-5-8(14)6-10(15)11(9)16/h5-6H,1,3-4H2,2H3
InChIKey	NULXFDVOMMITJV-UHFFFAOYSA-N
Smiles	CC(=C)C(=O)OCCOC(=O)C1=C(C(=CC(=C1)I)I)I
Isomeric SMILES	CC(=C)C(=O)OCCOC(=O)C1=C(C(=CC(=C1)I)I)I
Alternate CAS	161042-10-0
PubChem CID	127920
MeSH Entry Terms	2-(2',3',5'-triiodobenzoyl)ethyl methacrylate;2-methacryloyloxyethyl(2,3,5-triiodobenzoate);3IBzEt-methacrylate

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	611.940 g/mol
XLogP3	4.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	611.779 Da
Monoisotopic Mass	611.779 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	386.000
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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