6317-37-9 | 5-Nitro-2-thiophenecarboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$6.00	$4.00
5g	95%	in stock	$16.00	$11.00
25g	95%	in stock	$54.00	$38.00
100g	95%	in stock	$177.00	$124.00

Description

• Catalog Number: AB45350
• Chemical Name: 5-Nitro-2-thiophenecarboxylic acid
• CAS Number: 6317-37-9
• Molecular Formula: C5H3NO4S
• Molecular Weight: 173.1466
• MDL Number: MFCD00159552
• SMILES: OC(=O)c1ccc(s1)[N+](=O)[O-]
• NSC Number: 41707

Computed Properties

• Complexity: 189
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.6

Literature

• Pyridinium 5-nitro-thio-phene-2-carboxyl-ate.

  Acta crystallographica. Section E, Structure reports online 20100601

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601