4640-67-9 | 4-Fluorobenzoylacetonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
10g	98%	in stock	$12.00	$9.00
25g	98%	in stock	$29.00	$20.00
100g	98%	in stock	$110.00	$77.00
500g	98%	in stock	$495.00	$347.00

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