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Ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate - 97%, high purity , CAS No.53090-43-0

COA

Grade & Purity:

≥97%

Cas Number: 53090-43-0
Molecular Weight: 261.1
PubChem CID: 2758176

In stock

Item Number

E193778

Grouped product items
SKU	Size	Availability	Price	Qty
E193778-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$12.90
E193778-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$53.90

Discover Ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate by Aladdin Scientific in 97% for only $12.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate \| 53090-43-0 \| 3-(3,4-Dichloro-phenyl)-3-oxo-propionic acid ethyl ester \| 3-(3,4-dichlorophenyl)-3-oxo-propionic acid ethyl ester \| ethyl 3-(3,4-dichlorophenyl)-3-oxopropionate \| SCHEMBL1348885 \| Benzenepropanoic acid, 3,4
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Beta-keto acids and derivatives Aryl chlorides 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Benzoyl - 1,2-dichlorobenzene - Aryl alkyl ketone - Beta-keto acid - Chlorobenzene - Fatty acid ester - Halobenzene - Keto acid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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	ethyl 3-(3,4-dichlorophenyl)-3-oxopropanoate
INCHI	InChI=1S/C11H10Cl2O3/c1-2-16-11(15)6-10(14)7-3-4-8(12)9(13)5-7/h3-5H,2,6H2,1H3
InChIKey	SIWICBKMMHBCSU-UHFFFAOYSA-N
Smiles	CCOC(=O)CC(=O)C1=CC(=C(C=C1)Cl)Cl
Isomeric SMILES	CCOC(=O)CC(=O)C1=CC(=C(C=C1)Cl)Cl
Molecular Weight	261.1
Reaxy-Rn	981955
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=981955&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	261.100 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	260.001 Da
Monoisotopic Mass	260.001 Da
Topological Polar Surface Area	43.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	268.000
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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