5-Bromo-1H-benzoimidazole-2-carboxylic acid

• CAS: 40197-20-4
• Catalog Number: ACM40197204
• Category: Imidazoles
• Molecular Weight: 241.0437
• Molecular Formula: C8H5BrN2O2
• Melting Point: 158 °C
• Appearance: Yellow powder
• MDL Number: MFCD06738769
• Size: 100mg,250mg,500mg,1g,5g,25g

Custom Q&A

What is the molecular formula of the compound with the PubChem CID 23189704?

The molecular formula is C8H5BrN2O2.

What is the molecular weight of the compound?

The molecular weight is 241.04 g/mol.

What are some synonyms of 5-Bromo-1H-benzoimidazole-2-carboxylic acid?

Some synonyms include 5-bromo-1H-benzo[d]imidazole-2-carboxylic acid and 6-Bromo-1H-benzimidazole-2-carboxylic acid.

When was the compound created and modified in PubChem?

It was created on 2007-12-05 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is 6-bromo-1H-benzimidazole-2-carboxylic acid.

What is the InChIKey of the compound?

The InChIKey is ULTDLMITPWHISY-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1=CC2=C(C=C1Br)NC(=N2)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 2.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 540516-28-7

• 40197-20-4

Reference: [1] Molecules, 2015, vol. 20, # 8, p. 15206 - 15223

Upstream Synthesis Route 2

• 1575-37-7

• 40197-20-4

Reference: [1] Molecules, 2015, vol. 20, # 8, p. 15206 - 15223