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4-chloro-6-iodo-7-methoxyquinazoline - 97%, high purity , CAS No.1172851-61-4

COA

Grade & Purity:

≥97%

Cas Number: 1172851-61-4
Molecular Weight: 320.51
PubChem CID: 76848204

In stock

Item Number

C627108

Grouped product items
SKU	Size	Availability	Price
C627108-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$165.90
C627108-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$501.90
C627108-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,001.90

Basic Description

Synonyms	4-chloro-6-iodo-7-methoxyquinazoline \| 1172851-61-4 \| 4-chloro-6-iodo-7-(methyloxy)quinazoline \| C9H6ClIN2O \| SCHEMBL856568 \| XWB85161 \| MFCD12973651 \| TQ0109 \| AKOS030528764 \| AS-64116 \| Quinazoline, 4-chloro-6-iodo-7-methoxy- \| F15675 \| A893410
Specifications & Purity	≥97%
Shipped In	Normal

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	Anisoles Halopyrimidines Alkyl aryl ethers Hydropyrimidines Heteroaromatic compounds Vinyl iodides Propargyl-type 1,3-dipolar organic compounds Iodoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Anisole - Halopyrimidine - Alkyl aryl ether - Benzenoid - Pyrimidine - 5,6-dihydropyrimidine - Hydropyrimidine - Heteroaromatic compound - Azacycle - Iodoalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen 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	4-chloro-6-iodo-7-methoxyquinazoline
INCHI	InChI=1S/C9H6ClIN2O/c1-14-8-3-7-5(2-6(8)11)9(10)13-4-12-7/h2-4H,1H3
InChIKey	VGUHUPXWUUVYHC-UHFFFAOYSA-N
Smiles	COC1=C(C=C2C(=C1)N=CN=C2Cl)I
Isomeric SMILES	COC1=C(C=C2C(=C1)N=CN=C2Cl)I
PubChem CID	76848204
Molecular Weight	320.51

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	320.510 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	319.921 Da
Monoisotopic Mass	319.921 Da
Topological Polar Surface Area	35.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	207.000
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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