6-Indazolyboronic acid

• CAS: 885068-10-0
• Catalog Number: ACM885068100
• Category: Boronic Acids
• Molecular Weight: 161.96g/mol
• Molecular Formula: C7H7BN2O2
• IUPAC Name: 1H-indazol-6-ylboronic acid
• Canonical SMILES: B(C1=CC2=C(C=C1)C=NN2)(O)O
• InChI: InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)
• InChI Key: ZKNLCHWRWRYPGG-UHFFFAOYSA-N
• Complexity: 168
• Covalently-Bonded Unit Count: 1
• Exact Mass: 162.060058g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 12
• Monoisotopic Mass: 162.060058g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the PubChem CID for 6-Indazolyboronic acid?

PubChem CID: 24728617

What is the molecular formula of 6-Indazolyboronic acid?

Molecular Formula: C7H7BN2O2

What is the molecular weight of 6-Indazolyboronic acid?

Molecular Weight: 161.96 g/mol

What is the IUPAC name of 6-Indazolyboronic acid?

IUPAC Name: 1H-indazol-6-ylboronic acid

What is the InChI of 6-Indazolyboronic acid?

InChI: InChI=1S/C7H7BN2O2/c11-8(12)6-2-1-5-4-9-10-7(5)3-6/h1-4,11-12H,(H,9,10)

What is the InChIKey of 6-Indazolyboronic acid?

InChIKey: ZKNLCHWRWRYPGG-UHFFFAOYSA-N

What is the canonical SMILES of 6-Indazolyboronic acid?

Canonical SMILES: B(C1=CC2=C(C=C1)C=NN2)(O)O

What is the CAS number for 6-Indazolyboronic acid?

CAS number: 885068-10-0

What is the European Community (EC) number for 6-Indazolyboronic acid?

EC number: 687-324-1

Is 6-Indazolyboronic acid a canonicalized compound?

Yes, it is canonicalized.

Synthetic Use

Downstream Synthesis Route 1

• 885068-10-0

• 23244-88-4

Reference: [1] RSC Advances, 2014, vol. 4, # 63, p. 33164 - 33167
[2] Patent: CN103936538, 2017, B, . Location in patent: Paragraph 0073; 0097; 0098

Downstream Synthesis Route 2

• 885068-10-0
• 1132610-04-8

• 1132610-27-5

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2009,vol. 19,p. 908 - 911

Downstream Synthesis Route 3

• 885068-10-0
• 1228796-14-2

• 1228795-44-5

Reference: [1]Patent: US2010/152159,2010,A1 .Location in patent: Page/Page column 13-14

* For details of the synthesis route, please refer to the original source to ensure accuracy.