1-Methyl-1H-indazole-4-boronic acid

• CAS: 1001907-60-3
• Catalog Number: ACM1001907603
• Category: Boronic Acids
• Molecular Weight: 176.0
• Molecular Formula: C8H9BN2O2
• Synonyms: 1001907-60-3, 1-METHYLINDAZOL-4-BORONIC ACID, 1-Methyl-1H-indazole-4-boronic acid, 1-Methyl-1H-indazol-4-ylboronic acid, 1-Methyl-1H-indazol-4-yl-4-boronic acid, 1-Methylindazole-4-boronic acid, AG-D-04539, ACMC-2097nc, SureCN2729661, 4-Borono-1-methyl-1H-indazole, CTK3J8623, 1-methylindazol-4-ylboronic acid, MolPort-000-139-747, WT862, (1-methyl-4-indazolyl)boronic acid, (1-methylindazol-4-yl)boronic acid, ANW-14182, AKOS005258540, OR60109, PB26520
• IUPAC Name: (1-methylindazol-4-yl)boronic acid
• Canonical SMILES: B(C1=C2C=NN(C2=CC=C1)C)(O)O
• InChI Key: MDEHELJMJCXYIU-UHFFFAOYSA-N
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 1-Methyl-1H-indazole-4-boronic acid?

The molecular formula is C8H9BN2O2.

What is the molecular weight of 1-Methyl-1H-indazole-4-boronic acid?

The molecular weight is 175.98 g/mol.

What is the IUPAC name of 1-Methyl-1H-indazole-4-boronic acid?

The IUPAC name is (1-methylindazol-4-yl)boronic acid.

What is the InChI of 1-Methyl-1H-indazole-4-boronic acid?

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

What is the InChIKey of 1-Methyl-1H-indazole-4-boronic acid?

The InChIKey is MDEHELJMJCXYIU-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Methyl-1H-indazole-4-boronic acid?

The canonical SMILES is B(C1=C2C=NN(C2=CC=C1)C)(O)O.

What is the CAS number of 1-Methyl-1H-indazole-4-boronic acid?

The CAS number is 1001907-60-3.

What is the European Community (EC) number of 1-Methyl-1H-indazole-4-boronic acid?

The European Community (EC) number is 807-299-4.

What is the DSSTox Substance ID of 1-Methyl-1H-indazole-4-boronic acid?

The DSSTox Substance ID is DTXSID80656766.

Is 1-Methyl-1H-indazole-4-boronic acid a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

Synthetic Use

Downstream Synthesis Route 1

• 1001907-60-3
• 150683-30-0

• 2770257-41-3

Reference: [1]Guo, Xuelei; Dang, Hester; Wisniewski, Steven R.; Simmons, Eric M.
[Organometallics, 2022, vol. 41, # 11, p. 1269 - 1274]

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