Name: Quinoxalin-6-ylboronic acid hydrochloride - ≥98% , CAS No.852362-25-5
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinoxalines
Alternative Parents	Pyrazines Benzenoids Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organic oxygen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinoxaline - Benzenoid - Pyrazine - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Azacycle - Organic metalloid salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Organic metalloid moeity - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine 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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	210.430 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	210.037 Da
Monoisotopic Mass	210.037 Da
Topological Polar Surface Area	66.200 Å²
Heavy Atom Count	14
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	2

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	B(C1=CC2=NC=CN=C2C=C1)(O)O.Cl
IUPAC Name	quinoxalin-6-ylboronic acid;hydrochloride
InChIKey	YOUKKXQGTXCLHT-UHFFFAOYSA-N
INCHI	1S/C8H7BN2O2.ClH/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7;/h1-5,12-13H;1H
Isómeros SMILES	B(C1=CC2=NC=CN=C2C=C1)(O)O.Cl
PubChem CID	45073595
Peso molecular	210.43

Quinoxalin-6-ylboronic acid hydrochloride - ≥98% , CAS No.852362-25-5

Specifications