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1,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole - 97%, high purity , CAS No.1220696-53-6

COA

Grade & Purity:

≥97%

Cas Number: 1220696-53-6
Molecular Weight: 272.16
MDL number: MFCD17214391 MFCD12028654
PubChem CID: 59519563

In stock

Item Number

D627497

Grouped product items
SKU	Size	Availability	Price
D627497-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$133.90
D627497-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
D627497-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$355.90
D627497-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$532.90
D627497-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,666.90

Basic Description

Synonyms	1,3-DIMETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOLE \| 1H-Indazole, 1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- \| 1220696-53-6 \| 1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole \| SCHEMBL1337061 \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrazoles
    - Subclass Indazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrazoles
Subclass	Indazoles
Intermediate Tree Nodes	Not available
Direct Parent	Indazoles
Alternative Parents	Benzenoids Pyrazoles Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Benzenoid - Azole - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Pyrazole - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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	1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
INCHI	InChI=1S/C15H21BN2O2/c1-10-12-9-11(7-8-13(12)18(6)17-10)16-19-14(2,3)15(4,5)20-16/h7-9H,1-6H3
InChIKey	NXCWIFFWKXZXHI-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(N=C3C)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(N=C3C)C
Alternate CAS	1220696-53-6
PubChem CID	59519563
Molecular Weight	272.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	272.150 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	272.17 Da
Monoisotopic Mass	272.17 Da
Topological Polar Surface Area	36.300 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	372.000
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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