10406-06-1 | 5-Bromo-1H-indole-3-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$18.00	$13.00
10g	98%	in stock	$35.00	$25.00
25g	98%	in stock	$81.00	$57.00

Description

• Catalog Number: AB68842
• Chemical Name: 5-Bromo-1H-indole-3-carboxylic acid
• CAS Number: 10406-06-1
• Molecular Formula: C9H6BrNO2
• Molecular Weight: 240.05343999999997
• MDL Number: MFCD05664007
• SMILES: Brc1ccc2c(c1)c(c[nH]2)C(=O)O

Computed Properties

• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 2.7

Upstream Synthesis Route

5-Bromo-1H-indole-3-carboxylic acid is a valuable chemical compound commonly used in organic synthesis due to its versatile applications. This compound serves as a key building block in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure and reactivity make it a popular choice in the development of complex organic molecules through chemical transformations such as nucleophilic substitution, Heck coupling reactions, and Suzuki-Miyaura cross-coupling reactions. Additionally, 5-Bromo-1H-indole-3-carboxylic acid is often employed as a precursor for the synthesis of indole derivatives, which are crucial components in the pharmaceutical industry for their diverse biological activities. Its ability to undergo different chemical reactions with various reagents makes it a valuable tool for chemists seeking to design and create novel compounds with potential applications in drug discovery and material science.