65300-30-3 | (3E)-4-(3-Bromophenyl)but-3-en-2-one

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$93.00	$65.00
1g	95%	in stock	$137.00	$96.00
5g	95%	in stock	$386.00	$270.00
10g	95%	in stock	$572.00	$400.00
25g	95%	in stock	$1,131.00	$792.00
100g	95%	in stock	$2,810.00	$1,967.00

Description

• Catalog Number: AD17779
• Chemical Name: (3E)-4-(3-Bromophenyl)but-3-en-2-one
• CAS Number: 65300-30-3
• Molecular Formula: C10H9BrO
• Molecular Weight: 225.0819
• MDL Number: MFCD11845757
• SMILES: CC(=O)/C=C/c1cccc(c1)Br

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.7

Literature

• Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones.

  Bioorganic & medicinal chemistry letters 20020902