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3-Phenoxybenzeneboronic acid , CAS No.221006-66-2

COA

Cas Number: 221006-66-2
Molecular Weight: 214.02
PubChem CID: 10130574

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Item Number

P168698

Grouped product items
SKU	Size	Availability	Price
P168698-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$178.90
P168698-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$58.90
P168698-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$803.90

Discover 3-Phenoxybenzeneboronic acid by Aladdin Scientific in for only $58.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Phenoxyphenylboronic acid \| (3-phenoxyphenyl)boronic Acid \| 221006-66-2 \| 3-PHENOXYBENZENEBORONIC ACID \| MFCD07780272 \| Boronic acid, (3-phenoxyphenyl)- \| (3-phenoxyphenyl)boronicAcid \| SCHEMBL257834 \| AMY1606 \| DTXSID10436018 \| LOPQWMNOCSRRSR-UHFFFAOYSA-N \| WIA00666 \| BBL1007
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers Phenoxy compounds Phenol ethers Boronic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
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	(3-phenoxyphenyl)boronic acid
INCHI	InChI=1S/C12H11BO3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9,14-15H
InChIKey	LOPQWMNOCSRRSR-UHFFFAOYSA-N
Smiles	B(C1=CC(=CC=C1)OC2=CC=CC=C2)(O)O
Isomeric SMILES	B(C1=CC(=CC=C1)OC2=CC=CC=C2)(O)O
PubChem CID	10130574
Molecular Weight	214.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	214.030 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	214.08 Da
Monoisotopic Mass	214.08 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	204.000
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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