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Ethyl 7-Chloro-4-Hydroxy-8-Methylquinoline-3-Carboxylate - 98%, high purity , CAS No.5350-94-7

COA

Grade & Purity:

≥98%

Cas Number: 5350-94-7
Molecular Weight: 265.7
PubChem CID: 219161
PubChem SID: 504757877

In stock

Item Number

E185055

Grouped product items
SKU	Size	Availability	Price
E185055-250mg	250mg	3	$42.90
E185055-1g	1g	2	$98.90
E185055-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$284.90

Basic Description

Synonyms	NSC83 \| NSC-83 \| STL227823 \| AKOS000273085 \| Oprea1_702588 \| ChemDiv3_001358 \| ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate \| AKOS002249944 \| Oprea1_843113 \| SR-01000432014-1 \| D97571 \| ETHYL7-CHLORO-4-HYDROXY-8-METHYLQUINOLINE-3-CARBOXYLATE \|
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroquinolones
Alternative Parents	Chloroquinolines Hydroquinolines Pyridinecarboxylic acids Aryl chlorides Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Dihydroquinolone - Chloroquinoline - Haloquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl halide - Benzenoid - Pyridine - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone 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

Pubchem Sid	504757877
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504757877
IUPAC Name	ethyl 7-chloro-8-methyl-4-oxo-1H-quinoline-3-carboxylate
INCHI	InChI=1S/C13H12ClNO3/c1-3-18-13(17)9-6-15-11-7(2)10(14)5-4-8(11)12(9)16/h4-6H,3H2,1-2H3,(H,15,16)
InChIKey	HOKMOQAMIGSWSJ-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2C)Cl
Isomeric SMILES	CCOC(=O)C1=CNC2=C(C1=O)C=CC(=C2C)Cl
Molecular Weight	265.7
Reaxy-Rn	10675216
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10675216&ln=

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

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Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
I1810122	Certificate of Analysis	Apr 10, 2024	E185055
I1810123	Certificate of Analysis	Apr 10, 2024	E185055
G2312557	Certificate of Analysis	Jul 20, 2023	E185055

Chemical and Physical Properties

Molecular Weight	265.690 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	265.051 Da
Monoisotopic Mass	265.051 Da
Topological Polar Surface Area	55.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	394.000
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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