1-Methyl-1H-indazol-6-boronic acid

• CAS: 1150114-80-9
• Catalog Number: ACM1150114809
• Category: Other Products; Boronic Acids
• Molecular Weight: 175.98g/mol
• Molecular Formula: C8H9BN2O2
• IUPAC Name: (1-methylindazol-6-yl)boronic acid
• SMILES: B(C1=CC2=C(C=C1)C=NN2C)(O)O
• InChI: InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3
• InChI Key: OMVQAWCHQBKZCF-UHFFFAOYSA-N
• Complexity: 191
• Covalently-Bonded Unit Count: 1
• Exact Mass: 176.075708g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 176.075708g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 1-Methyl-1H-indazol-6-boronic acid?

The molecular formula is C8H9BN2O2.

What is the molecular weight of 1-Methyl-1H-indazol-6-boronic acid?

The molecular weight is 175.98 g/mol.

What is the IUPAC name of 1-Methyl-1H-indazol-6-boronic acid?

The IUPAC name is (1-methylindazol-6-yl)boronic acid.

What is the InChI of 1-Methyl-1H-indazol-6-boronic acid?

The InChI is InChI=1S/C8H9BN2O2/c1-11-8-4-7(9(12)13)3-2-6(8)5-10-11/h2-5,12-13H,1H3.

What is the InChIKey of 1-Methyl-1H-indazol-6-boronic acid?

The InChIKey is OMVQAWCHQBKZCF-UHFFFAOYSA-N.

What is the Canonical SMILES of 1-Methyl-1H-indazol-6-boronic acid?

The Canonical SMILES is B(C1=CC2=C(C=C1)C=NN2C)(O)O.

What is the CAS number of 1-Methyl-1H-indazol-6-boronic acid?

The CAS number is 1150114-80-9.

What is the EC number of 1-Methyl-1H-indazol-6-boronic acid?

The EC number is 687-325-7.

What is the DSSTox Substance ID of 1-Methyl-1H-indazol-6-boronic acid?

The DSSTox Substance ID is DTXSID60656769.

Is 1-Methyl-1H-indazol-6-boronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 32084-59-6
• 1150114-80-9

• 1327160-11-1

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3152 - 3158

Downstream Synthesis Route 2

• 32084-59-6
• 1150114-80-9

• 1327166-33-5

Reference: [1]Bioorganic and Medicinal Chemistry Letters,2011,vol. 21,p. 3152 - 3158

Downstream Synthesis Route 3

• 1150114-80-9
• 1367874-63-2

• 1367875-46-4

Reference: [1]Patent: WO2012/38743,2012,A1 .Location in patent: Page/Page column 183

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