395-33-5 | 4-Fluoromandelic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$7.00	$5.00
5g	97%	in stock	$15.00	$11.00
25g	97%	in stock	$45.00	$32.00
100g	97%	in stock	$166.00	$117.00

Description

• Catalog Number: AB67543
• Chemical Name: 4-Fluoromandelic acid
• CAS Number: 395-33-5
• Molecular Formula: C8H7FO3
• Molecular Weight: 170.1378
• MDL Number: MFCD00044402
• SMILES: OC(c1ccc(cc1)F)C(=O)O
• NSC Number: 73990

Computed Properties

• Complexity: 164
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• Undefined Atom Stereocenter Count: 1
• XLogP3: 0.7

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• The metabolic disposition of aprepitant, a substance P receptor antagonist, in rats and dogs.

  Drug metabolism and disposition: the biological fate of chemicals 20040201

• Discrimination in resolving systems. VI. Comparison of the diastereomers of deoxyephedrinium and ephedrinium 4'-fluoromandelates.

  Chirality 20010515