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6-BROMO-4-CHLORO-2-PHENYLQUINAZOLINE - ≥95%, high purity , CAS No.412923-42-3

COA

Grade & Purity:

≥95%

Cas Number: 412923-42-3
Molecular Weight: 319.6
PubChem CID: 51358611

In stock

Item Number

B733151

Grouped product items
SKU	Size	Availability	Price	Qty
B733151-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,508.90

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	Halopyrimidines Benzene and substituted derivatives Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organochloride - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - 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	6-bromo-4-chloro-2-phenylquinazoline
INCHI	InChI=1S/C14H8BrClN2/c15-10-6-7-12-11(8-10)13(16)18-14(17-12)9-4-2-1-3-5-9/h1-8H
InChIKey	PAGYEVWBXVPXGS-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=N2)Cl
Isomeric SMILES	C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=N2)Cl
PubChem CID	51358611
Molecular Weight	319.6

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	319.580 g/mol
XLogP3	5.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	317.956 Da
Monoisotopic Mass	317.956 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	283.000
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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