766-98-3 | 1-Ethynyl-4-fluorobenzene

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$5.00	$4.00
5g	98%	in stock	$11.00	$8.00
10g	98%	in stock	$21.00	$15.00
25g	98%	in stock	$50.00	$35.00
100g	98%	in stock	$180.00	$126.00

Description

• Catalog Number: AB45008
• Chemical Name: 1-Ethynyl-4-fluorobenzene
• CAS Number: 766-98-3
• Molecular Formula: C8H5F
• Molecular Weight: 120.1237
• MDL Number: MFCD00168823
• SMILES: C#Cc1ccc(cc1)F

Computed Properties

• Complexity: 123
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.3

Literature

• Interaction of alcohols with 2-fluoro- and 4-fluorophenylacetylenes: infrared-optical double resonance spectroscopic and computational investigation.

  The journal of physical chemistry. A 20111020

• Hydrogen bonding to multifunctional molecules: spectroscopic and ab initio investigation of water complexes of fluorophenylacetylenes.

  The journal of physical chemistry. A 20090305

• Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations.

  Bioorganic & medicinal chemistry letters 20070401