2143-80-8 | (3E)-4-(2-Fluorophenyl)but-3-en-2-one

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$203.00	$142.00
5g	97%	in stock	$605.00	$423.00
10g	97%	in stock	$915.00	$641.00

Description

• Catalog Number: AD60785
• Chemical Name: (3E)-4-(2-Fluorophenyl)but-3-en-2-one
• CAS Number: 2143-80-8
• Molecular Formula: C10H9FO
• Molecular Weight: 164.1763
• MDL Number: MFCD01221416
• SMILES: CC(=O)/C=C/c1ccccc1F

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 2.1

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