155814-20-3 | 3,5-Bis(trifluoromethyl)cinnamic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$14.00	$10.00
25g	95%	in stock	$58.00	$41.00
100g	95%	in stock	$106.00	$74.00

Description

• Catalog Number: AA77853
• Chemical Name: 3,5-Bis(trifluoromethyl)cinnamic acid
• CAS Number: 155814-20-3
• Molecular Formula: C11H6F6O2
• Molecular Weight: 284.1546
• MDL Number: MFCD00799487
• SMILES: OC(=O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Computed Properties

• Complexity: 335
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.6

Literature

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

  Bioorganic & medicinal chemistry letters 20101101