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2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid , CAS No.1072951-87-1

COA

Cas Number: 1072951-87-1
Molecular Weight: 284.16
PubChem CID: 16218124

In stock

Item Number

I165763

Grouped product items
SKU	Size	Availability	Price	Qty
I165763-2g	2g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$224.90
I165763-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$753.90

Discover 2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid by Aladdin Scientific in for only $224.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1072951-87-1 \| 2-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid \| (2-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid \| [2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid \| (2-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}phenyl)boronic aci
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Phenylpropane - Cumene - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Organic metalloid salt - Ether - Organooxygen compound - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organoboron compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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	[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
INCHI	InChI=1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChIKey	JDYAGWNUTBEZCI-UHFFFAOYSA-N
Smiles	B(C1=CC=CC=C1COC2=C(C=CC(=C2)C)C(C)C)(O)O
Isomeric SMILES	B(C1=CC=CC=C1COC2=C(C=CC(=C2)C)C(C)C)(O)O
WGK Germany	3
PubChem CID	16218124
Molecular Weight	284.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	284.200 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	284.158 Da
Monoisotopic Mass	284.158 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	308.000
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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