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4-Chloro-6-fluoro-2-methylquinazoline - 98%, high purity , CAS No.1044768-44-6

COA

Grade & Purity:

≥98%

Cas Number: 1044768-44-6
Molecular Weight: 196.6
PubChem CID: 24903867

In stock

Item Number

C179002

Grouped product items
SKU	Size	Availability	Price	Qty
C179002-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90

Basic Description

Synonyms	4-chloro-6-fluoro-2-methylquinazoline \| 1044768-44-6 \| MFCD11047031 \| DTXSID40647978 \| BCP27462 \| AKOS005145993 \| AS-43434 \| SY033512 \| AM20020137 \| CS-0152822 \| FT-0758819
Specifications & Purity	≥98%
Storage Temp	Room temperature
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	Halopyrimidines Benzenoids Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - 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-fluoro-2-methylquinazoline
INCHI	InChI=1S/C9H6ClFN2/c1-5-12-8-3-2-6(11)4-7(8)9(10)13-5/h2-4H,1H3
InChIKey	GVNJOQDCIFAIOG-UHFFFAOYSA-N
Smiles	CC1=NC2=C(C=C(C=C2)F)C(=N1)Cl
Isomeric SMILES	CC1=NC2=C(C=C(C=C2)F)C(=N1)Cl
Molecular Weight	196.6
Reaxy-Rn	29306979
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29306979&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.610 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	196.02 Da
Monoisotopic Mass	196.02 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	190.000
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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