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Quinazolin-7-ylboronic acid - ≥95%, high purity , CAS No.899438-46-1

COA

Grade & Purity:

≥95%

Cas Number: 899438-46-1
Molecular Weight: 173.97
PubChem CID: 52911265

In stock

Item Number

Q733174

Grouped product items
SKU	Size	Availability	Price	Qty
Q733174-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$362.90
Q733174-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$725.90

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	Pyrimidines and pyrimidine derivatives Benzenoids Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - Benzenoid - Pyrimidine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic metalloid moeity - 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	quinazolin-7-ylboronic acid
INCHI	InChI=1S/C8H7BN2O2/c12-9(13)7-2-1-6-4-10-5-11-8(6)3-7/h1-5,12-13H
InChIKey	WAPOSZXCZRHKGA-UHFFFAOYSA-N
Smiles	B(C1=CC2=NC=NC=C2C=C1)(O)O
Isomeric SMILES	B(C1=CC2=NC=NC=C2C=C1)(O)O
PubChem CID	52911265
Molecular Weight	173.97

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	173.970 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	174.06 Da
Monoisotopic Mass	174.06 Da
Topological Polar Surface Area	66.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180.000
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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