4640-67-9 | 4-Fluorobenzoylacetonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$8.00	$5.00
10g	97%	in stock	$16.00	$11.00
25g	97%	in stock	$39.00	$27.00
100g	97%	in stock	$150.00	$105.00
500g	97%	in stock	$667.00	$467.00

Description

• Catalog Number: AB67530
• Chemical Name: 4-Fluorobenzoylacetonitrile
• CAS Number: 4640-67-9
• Molecular Formula: C9H6FNO
• Molecular Weight: 163.1484
• MDL Number: MFCD00662062
• SMILES: N#CCC(=O)c1ccc(cc1)F

Computed Properties

• Complexity: 210
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• XLogP3: 1.1

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Syntheses and properties of the major hydroxy metabolites in humans of blonanserin AD-5423, a novel antipsychotic agent.

  Bioorganic & medicinal chemistry letters 20050215