32890-87-2 | 2,4-Bis(trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$8.00	$5.00
1g	95%	in stock	$8.00	$6.00
25g	95%	in stock	$146.00	$102.00
100g	95%	in stock	$482.00	$337.00

Description

• Catalog Number: AB60103
• Chemical Name: 2,4-Bis(trifluoromethyl)benzoic acid
• CAS Number: 32890-87-2
• Molecular Formula: C9H4F6O2
• Molecular Weight: 258.1173
• MDL Number: MFCD00042496
• SMILES: OC(=O)c1ccc(cc1C(F)(F)F)C(F)(F)F

Computed Properties

• Complexity: 295
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3.2

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• Application of (1)H- and (19)F-NMR spectroscopy in the investigation of the urinary and biliary excretion of 3,5-, 2,4-ditrifluoromethylbenzoic and pentafluorobenzoic acids in rat.

  Xenobiotica; the fate of foreign compounds in biological systems 20020701