58808-59-6 | 4-(Trifluoroacetyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$50.00	$35.00
1g	98%	in stock	$63.00	$44.00
5g	98%	in stock	$167.00	$117.00
10g	98%	in stock	$323.00	$226.00
25g	98%	in stock	$645.00	$452.00
100g	98%	in stock	$2,005.00	$1,404.00

Description

• Catalog Number: AB65633
• Chemical Name: 4-(Trifluoroacetyl)benzoic acid
• CAS Number: 58808-59-6
• Molecular Formula: C9H5F3O3
• Molecular Weight: 218.1294
• MDL Number: MFCD00052340
• SMILES: O=C(C(F)(F)F)c1ccc(cc1)C(=O)O

Computed Properties

• Complexity: 264
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.7

Literature

• Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

  Journal of medicinal chemistry 20040506