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5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindoline - 97%, high purity , CAS No.1491162-09-4

COA

Grade & Purity:

≥97%

Cas Number: 1491162-09-4
Molecular Weight: 245.12
PubChem CID: 18401756

In stock

Item Number

I629414

Grouped product items
SKU	Size	Availability	Price
I629414-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90
I629414-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
I629414-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$517.90
I629414-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$775.90
I629414-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,881.90

Basic Description

Synonyms	5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ISOINDOLINE \| 1491162-09-4 \| 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindole \| SCHEMBL2595567 \| MB19119 \| Isoindoline-5-boronic acid pinacol ester \| P19473 \| EN300-3054049 \| 5-(tetram
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoindoles and derivatives
    - Subclass Isoindoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoindoles and derivatives
Subclass	Isoindoles
Intermediate Tree Nodes	Not available
Direct Parent	Isoindoles
Alternative Parents	Isoindolines Aralkylamines Benzenoids Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoindoline - Isoindole - Aralkylamine - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Secondary aliphatic amine - Oxacycle - Secondary amine - Azacycle - Organic metalloid salt - Organic metalloid moeity - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoindoles. These are heteropolycyclic compounds with a structure containing isoindole, a benzo-fused pyrrole.
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	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-isoindole
INCHI	InChI=1S/C14H20BNO2/c1-13(2)14(3,4)18-15(17-13)12-6-5-10-8-16-9-11(10)7-12/h5-7,16H,8-9H2,1-4H3
InChIKey	PYNZSPXHQFJJOJ-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CNC3)C=C2
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(CNC3)C=C2
PubChem CID	18401756
Molecular Weight	245.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.130 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	245.159 Da
Monoisotopic Mass	245.159 Da
Topological Polar Surface Area	30.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	316.000
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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