89001-53-6 | 2-methyl-4-nitrobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$13.00	$10.00
10g	97%	in stock	$25.00	$18.00
25g	97%	in stock	$59.00	$42.00

Description

• Catalog Number: AB94563
• Chemical Name: 2-methyl-4-nitrobenzonitrile
• CAS Number: 89001-53-6
• Molecular Formula: C8H6N2O2
• Molecular Weight: 162.1454
• MDL Number: MFCD03095378
• SMILES: N#Cc1ccc(cc1C)[N+](=O)[O-]

Computed Properties

• Complexity: 225
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• XLogP3: 1.8

Literature

• Identification of novel isocytosine derivatives as xanthine oxidase inhibitors from a set of virtual screening hits.

  Bioorganic & medicinal chemistry 20120501