6345-55-7 | 5-Nitro-1-benzothiophene-2-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	96%	in stock	$13.00	$9.00
1g	96%	in stock	$17.00	$12.00
5g	96%	in stock	$59.00	$42.00
10g	96%	in stock	$85.00	$60.00

Description

• Catalog Number: AG65709
• Chemical Name: 5-Nitro-1-benzothiophene-2-carboxylic acid
• CAS Number: 6345-55-7
• Molecular Formula: C9H5NO4S
• Molecular Weight: 223.2053
• MDL Number: MFCD01159700
• SMILES: OC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
• NSC Number: 43557

Computed Properties

• Complexity: 290
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 2.6

Literature

• Synthesis and pharmacological evaluation of 2-substituted benzo[b]thiophenes as anti-inflammatory and analgesic agents.

  European journal of medicinal chemistry 20090401