2199-90-8 | Ethyl 6-bromocoumarin-3-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$30.00	$21.00
1g	98%	in stock	$38.00	$27.00
5g	98%	in stock	$119.00	$84.00
25g	98%	in stock	$388.00	$272.00

Description

• Catalog Number: AB73941
• Chemical Name: Ethyl 6-bromocoumarin-3-carboxylate
• CAS Number: 2199-90-8
• Molecular Formula: C12H9BrO4
• Molecular Weight: 297.1015
• MDL Number: MFCD00124584
• SMILES: CCOC(=O)c1cc2cc(Br)ccc2oc1=O

Computed Properties

• Complexity: 364
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• XLogP3: 3

Literature

• Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17β-hydroxysteroid dehydrogenase type 1.

  Journal of medicinal chemistry 20110113

• Carbonyl-carbonyl, carbonyl-pi and carbonyl-halogen dipolar interactions as the directing motifs of the supramolecular structure of ethyl 6-chloro-2-oxo-2H-chromene-3-carboxylate and ethyl 6-bromo-2-oxo-2H-chromene-3-carboxylate.

  Acta crystallographica. Section C, Crystal structure communications 20070401