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methyl 3-chloroquinoline-6-carboxylate - 97%, high purity , CAS No.1357958-20-3

COA

Grade & Purity:

≥97%

Cas Number: 1357958-20-3
Molecular Weight: 221.64
PubChem CID: 58081328

In stock

Item Number

M628538

Grouped product items
SKU	Size	Availability	Price
M628538-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90
M628538-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$313.90
M628538-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$625.90

Basic Description

Synonyms	methyl 3-chloroquinoline-6-carboxylate \| 1357958-20-3 \| SCHEMBL554998 \| MFCD23163639 \| Methyl3-chloroquinoline-6-carboxylate \| AS-76875 \| CS-0309849 \| 6-Quinolinecarboxylicacid,3-chloro-,methylester \| P19387 \| 6-Quinolinecarboxylic acid, 3-chloro-, methyl
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Haloquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Chloroquinolines
Alternative Parents	Pyridines and derivatives Benzenoids Aryl chlorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as chloroquinolines. These are compounds containing a quinoline moiety, which carries one or more chlorine atoms.
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	methyl 3-chloroquinoline-6-carboxylate
INCHI	InChI=1S/C11H8ClNO2/c1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10/h2-6H,1H3
InChIKey	LIVVYLNBAYBNDP-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC2=CC(=CN=C2C=C1)Cl
Isomeric SMILES	COC(=O)C1=CC2=CC(=CN=C2C=C1)Cl
PubChem CID	58081328
Molecular Weight	221.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.640 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	221.024 Da
Monoisotopic Mass	221.024 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	247.000
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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