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2-Iodocyclohex-2-en-1-one - ≥95%, high purity , CAS No.33948-36-6

COA

Grade & Purity:

≥95%

Cas Number: 33948-36-6
Molecular Weight: 222.02
PubChem CID: 11106935

In stock

Item Number

I725562

Grouped product items
SKU	Size	Availability	Price	Qty
I725562-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$928.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Cyclic ketones
        Level7 Cyclohexenones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Cyclic ketones
Direct Parent	Cyclohexenones
Alternative Parents	Alpha-haloketones Vinyl iodides Iodoalkenes Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexenone - Alpha-haloketone - Iodoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Organic oxide - Hydrocarbon derivative - Organoiodide - Organohalogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
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-iodocyclohex-2-en-1-one
INCHI	InChI=1S/C6H7IO/c7-5-3-1-2-4-6(5)8/h3H,1-2,4H2
InChIKey	IPFSJCDRYRZTJU-UHFFFAOYSA-N
Smiles	C1CC=C(C(=O)C1)I
Isomeric SMILES	C1CC=C(C(=O)C1)I
PubChem CID	11106935
Molecular Weight	222.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.020 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	221.954 Da
Monoisotopic Mass	221.954 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	137.000
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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2-Iodocyclohex-2-en-1-one - ≥95%, high purity , CAS No.33948-36-6

Basic Description