Name: 2-(2-Ethoxyethoxy)phenylboronic acid - ≥95% , CAS No.279262-56-5
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Alkyl aryl ethers Boronic acids Organic metalloid salts Dialkyl ethers Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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	210.040 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	210.106 Da
Monoisotopic Mass	210.106 Da
Topological Polar Surface Area	58.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	166.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	B(C1=CC=CC=C1OCCOCC)(O)O
IUPAC Name	[2-(2-ethoxyethoxy)phenyl]boronic acid
InChIKey	VXRUZTFMTDDRAR-UHFFFAOYSA-N
INCHI	1S/C10H15BO4/c1-2-14-7-8-15-10-6-4-3-5-9(10)11(12)13/h3-6,12-13H,2,7-8H2,1H3
Isómeros SMILES	B(C1=CC=CC=C1OCCOCC)(O)O
PubChem CID	43457329
Peso molecular	210

2-(2-Ethoxyethoxy)phenylboronic acid - ≥95% , CAS No.279262-56-5

Specifications