4837-22-3 | 4-(Difluoro-methanesulfonyl)-benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$25.00	$18.00
1g	95%	in stock	$59.00	$42.00
5g	98%	in stock	$267.00	$187.00
25g	98%	in stock	$1,226.00	$858.00

Description

• Catalog Number: AG30263
• Chemical Name: 4-(Difluoro-methanesulfonyl)-benzoic acid
• CAS Number: 4837-22-3
• Molecular Formula: C8H6F2O4S
• Molecular Weight: 236.1926
• MDL Number: MFCD00766762
• SMILES: FC(S(=O)(=O)c1ccc(cc1)C(=O)O)F

Computed Properties

• Complexity: 325
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.6

Literature

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

  Bioorganic & medicinal chemistry letters 20101101