(3-Methyl-1H-indazol-5-yl)boronic acid

• CAS: 1245816-25-4
• Catalog Number: ACM1245816254
• Category: Boronic Acids
• Molecular Weight: 175.98
• Molecular Formula: C8H9BN2O2
• Synonyms: 3-Methyl-1H-indazole-5-boronic acid, 1245816-25-4, 3-Methyl-1H-indazol-5-yl-5-boronic acid, 3-methyl-1H-indazol-5-ylboronic acid, SureCN5751011, CTK7I2613, MolPort-016-581-666, 1H-3-methyl-indazole-5-boronic acid, AKOS006319201, AG-B-97471, OR40150, PB21094, QC-3989, RP09335, 3-METHYLINDAZOLE-5-BORONIC ACID, 3-methyl-1H-indazol-5-yl-5-boronicacid, AK-47793, BR-47793, KB-12237, KB-32676
• IUPAC Name: (3-methyl-2H-indazol-5-yl)boronic acid
• SMILES: B(C1=CC2=C(NN=C2C=C1)C)(O)O
• InChI Key: MJPMZQXVUISBFX-UHFFFAOYSA-N
• Exact Mass: 176.07600
• H-Bond Acceptor: 3
• H-Bond Donor: 3

Custom Q&A

What is the molecular formula of (3-Methyl-1H-indazol-5-yl)boronic acid?

The molecular formula is C8H9BN2O2.

When was (3-Methyl-1H-indazol-5-yl)boronic acid first created on PubChem?

It was first created on July 21, 2009.

What is the IUPAC Name of (3-Methyl-1H-indazol-5-yl)boronic acid?

The IUPAC Name is (3-methyl-2H-indazol-5-yl)boronic acid.

What is the Canonical SMILES representation of (3-Methyl-1H-indazol-5-yl)boronic acid?

The Canonical SMILES representation is B(C1=CC2=C(NN=C2C=C1)C)(O)O.

How many hydrogen bond donor counts are present in (3-Methyl-1H-indazol-5-yl)boronic acid?

There are 3 hydrogen bond donor counts.

What is the exact mass of (3-Methyl-1H-indazol-5-yl)boronic acid?

The exact mass is 176.0757077 g/mol.

What is the topological polar surface area of (3-Methyl-1H-indazol-5-yl)boronic acid?

The topological polar surface area is 69.1Ų.

How many heavy atoms are present in the structure of (3-Methyl-1H-indazol-5-yl)boronic acid?

There are 13 heavy atoms.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

What is the InChIKey of (3-Methyl-1H-indazol-5-yl)boronic acid?

The InChIKey is MJPMZQXVUISBFX-UHFFFAOYSA-N.

Synthetic Use

Downstream Synthesis Route 1

• 1245816-25-4
• 864773-79-5

• 864773-80-8

Reference: [1]Patent: WO2005/85227,2005,A1 .Location in patent: Page/Page column 48

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