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4-Chloro-7-methoxyquinoline-3-carbonitrile - ≥95%, high purity , CAS No.73387-74-3

COA

Grade & Purity:

≥95%

Cas Number: 73387-74-3
PubChem CID: 12559431

In stock

Item Number

C726915

Grouped product items
SKU	Size	Availability	Price	Qty
C726915-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$856.90

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	Anisoles Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Chloroquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Cyanide - 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	4-chloro-7-methoxyquinoline-3-carbonitrile
INCHI	InChI=1S/C11H7ClN2O/c1-15-8-2-3-9-10(4-8)14-6-7(5-13)11(9)12/h2-4,6H,1H3
InChIKey	WMBCMCMNNWELKB-UHFFFAOYSA-N
Smiles	COC1=CC2=NC=C(C(=C2C=C1)Cl)C#N
Isomeric SMILES	COC1=CC2=NC=C(C(=C2C=C1)Cl)C#N
PubChem CID	12559431

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	218.640 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	218.025 Da
Monoisotopic Mass	218.025 Da
Topological Polar Surface Area	45.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	275.000
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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