682805-12-5 | 2-Chloro-5-(trifluoromethyl)cinnamic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$74.00	$52.00
5g	98%	in stock	$259.00	$181.00
10g	98%	in stock	$449.00	$315.00
25g	98%	in stock	$760.00	$532.00

Description

• Catalog Number: AH13235
• Chemical Name: 2-Chloro-5-(trifluoromethyl)cinnamic acid
• CAS Number: 682805-12-5
• Molecular Formula: C10H6ClF3O2
• Molecular Weight: 250.6016
• MDL Number: MFCD03002852
• SMILES: OC(=O)/C=C/c1cc(ccc1Cl)C(F)(F)F

Computed Properties

• Complexity: 288
• Covalently-Bonded Unit Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.4

Literature

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

  Bioorganic & medicinal chemistry letters 20101101