453566-15-9 | Methyl 3-bromo-5-cyanobenzoate

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$20.00	$14.00
1g	95%	in stock	$28.00	$20.00

Description

• Catalog Number: AB75749
• Chemical Name: Methyl 3-bromo-5-cyanobenzoate
• CAS Number: 453566-15-9
• Molecular Formula: C9H6BrNO2
• Molecular Weight: 240.0534
• MDL Number: MFCD16620379
• SMILES: COC(=O)c1cc(Br)cc(c1)C#N

Computed Properties

• Complexity: 245
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 2.6

Upstream Synthesis Route

Methyl 3-bromo-5-cyanobenzoate is a versatile compound widely utilized in chemical synthesis as a key building block for the production of various pharmaceuticals, agrochemicals, and materials. Its structural features make it an essential intermediate in the synthesis of complex organic compounds due to its reactivity and functional groups. This compound serves as a crucial starting material in the formation of heterocyclic compounds and substituted benzoic acid derivatives, providing a solid foundation for the development of novel drug candidates and innovative materials in the field of chemistry. With its unique properties and broad synthetic applications, Methyl 3-bromo-5-cyanobenzoate plays a vital role in advancing the frontier of chemical research and development.