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methyl 2-chloroquinazoline-8-carboxylate - 97%, high purity

COA

Grade & Purity:

≥97%

Cas Number: 1217269-81-2
Molecular Weight: 222.63
PubChem CID: 46835708

In stock

Item Number

M172658

Grouped product items
SKU	Size	Availability	Price
M172658-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$199.90
M172658-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$697.90
M172658-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,951.90

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Quinazoline compounds (22)

Basic Description

Synonyms	AM20020305 \| 8-Quinazolinecarboxylic acid, 2-chloro-, methyl ester \| FT-0682247 \| DTXSID90676531 \| AKOS015852102 \| AS-33666 \| methyl 2-chloroquinazoline-8-carboxylate \| methyl2-chloroquinazoline-8-carboxylate \| SY011880 \| CS-0049166 \| 1217269-81-2 \| MFCD1
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	2-halopyrimidines Benzenoids Aryl chlorides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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	methyl 2-chloroquinazoline-8-carboxylate
INCHI	InChI=1S/C10H7ClN2O2/c1-15-9(14)7-4-2-3-6-5-12-10(11)13-8(6)7/h2-5H,1H3
InChIKey	UGPLUBNCOISIQT-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=CC2=CN=C(N=C21)Cl
Isomeric SMILES	COC(=O)C1=CC=CC2=CN=C(N=C21)Cl
PubChem CID	46835708
Molecular Weight	222.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.630 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	222.02 Da
Monoisotopic Mass	222.02 Da
Topological Polar Surface Area	52.100 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	250.000
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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