1539-06-6 | 4-Acetamido-3-nitrobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$38.00	$26.00
25g	95%	in stock	$106.00	$75.00
100g	95%	in stock	$372.00	$260.00

Description

• Catalog Number: AB66483
• Chemical Name: 4-Acetamido-3-nitrobenzoic acid
• CAS Number: 1539-06-6
• Molecular Formula: C9H8N2O5
• Molecular Weight: 224.1702
• MDL Number: MFCD00014703
• SMILES: CC(=O)Nc1ccc(cc1[N+](=O)[O-])C(=O)O
• NSC Number: 190738

Computed Properties

• Complexity: 312
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 0.7

Literature

• Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design.

  Journal of medicinal chemistry 19971205

• Structure-based inhibitors of influenza virus sialidase. A benzoic acid lead with novel interaction.

  Journal of medicinal chemistry 19950818