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2-(Quinazolin-4-Yloxy)Acetic Acid - ≥97%, high purity , CAS No.842959-64-2

COA

Grade & Purity:

≥97%

Cas Number: 842959-64-2
Molecular Weight: 204.19
PubChem CID: 3148347

In stock

Item Number

A708557

Grouped product items
SKU	Size	Availability	Price
A708557-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$367.90
A708557-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$618.90
A708557-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,819.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Alkyl aryl ether - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
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-quinazolin-4-yloxyacetic acid
INCHI	InChI=1S/C10H8N2O3/c13-9(14)5-15-10-7-3-1-2-4-8(7)11-6-12-10/h1-4,6H,5H2,(H,13,14)
InChIKey	ILCNFBGYXLMVEH-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C(=NC=N2)OCC(=O)O
PubChem CID	3148347
Molecular Weight	204.19

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	204.180 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	204.053 Da
Monoisotopic Mass	204.053 Da
Topological Polar Surface Area	72.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	235.000
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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