725-89-3 | 3,5-Bis(trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
10g	98%	in stock	$9.00	$7.00
25g	98%	in stock	$21.00	$15.00
100g	98%	in stock	$46.00	$33.00

Description

• Catalog Number: AB63815
• Chemical Name: 3,5-Bis(trifluoromethyl)benzoic acid
• CAS Number: 725-89-3
• Molecular Formula: C9H4F6O2
• Molecular Weight: 258.1173
• MDL Number: MFCD00000388
• SMILES: OC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• NSC Number: 88282

Computed Properties

• Complexity: 273
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 3.8

Literature

• 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