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5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile - 97%, high purity , CAS No.1463055-84-6

COA

Grade & Purity:

≥97%

Cas Number: 1463055-84-6
Molecular Weight: 269.11
PubChem CID: 89826687

In stock

Item Number

H629361

Grouped product items
SKU	Size	Availability	Price
H629361-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
H629361-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$232.90
H629361-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
H629361-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$581.90
H629361-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,911.90

Basic Description

Synonyms	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile \| 1463055-84-6 \| SCHEMBL15288091 \| MFCD30802385 \| PB40727 \| BS-43200 \| D79014 \| 3-Cyano-1H-indazole-5-boronic acid pinacol ester
Specifications & Purity	≥97%
Shipped In	Normal

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 Nitriles Azacyclic compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzopyrazole - Indazole - Benzenoid - Azole - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Pyrazole - Boronic acid derivative - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carbonitrile
INCHI	InChI=1S/C14H16BN3O2/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-16)18-17-11/h5-7H,1-4H3,(H,17,18)
InChIKey	ZFCDHGUCGBYZBN-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3C#N
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3C#N
PubChem CID	89826687
Molecular Weight	269.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	269.110 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	269.134 Da
Monoisotopic Mass	269.134 Da
Topological Polar Surface Area	70.900 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	429.000
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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