1214791-57-7 | 3-Bromo-2-fluorocinnamic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$105.00	$74.00
5g	98%	in stock	$297.00	$208.00
10g	98%	in stock	$510.00	$357.00
25g	98%	in stock	$1,007.00	$705.00
100g	98%	in stock	$2,996.00	$2,097.00

Description

• Catalog Number: AA52955
• Chemical Name: 3-Bromo-2-fluorocinnamic acid
• CAS Number: 1214791-57-7
• Molecular Formula: C9H6BrFO2
• Molecular Weight: 245.0451
• MDL Number: MFCD13185369
• SMILES: OC(=O)C=Cc1cccc(c1F)Br

Computed Properties

• Complexity: 218
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.7

Upstream Synthesis Route

The 3-(3-bromo-2-fluorophenyl)acrylic acid is a versatile compound commonly used in chemical synthesis for its unique properties and reactivity. One key application of this compound is as a building block in the creation of organic molecules with specific structural features. Its acrylic acid moiety allows for easy modification and functionalization, making it a valuable intermediate in the synthesis of complex organic compounds.Additionally, the presence of the bromine and fluorine substituents on the phenyl ring provides opportunities for further derivatization through various chemical reactions such as Suzuki coupling, Heck reaction, and Sonogashira coupling. These functional groups can also serve as handles for introducing additional functionality or altering the compound's reactivity in a desired manner.In summary, the 3-(3-bromo-2-fluorophenyl)acrylic acid is a useful building block in chemical synthesis, offering versatility, reactivity, and opportunities for structural modification to create a wide range of organic compounds with tailored properties.