162848-16-0 | 4-(1H-1,2,4-Triazol-1-yl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$33.00	$23.00
1g	95%	in stock	$41.00	$29.00
5g	95%	in stock	$150.00	$105.00
100g	98%	in stock	$2,500.00	$1,750.00

Description

• Catalog Number: AA84662
• Chemical Name: 4-(1H-1,2,4-Triazol-1-yl)benzoic acid
• CAS Number: 162848-16-0
• Molecular Formula: C9H7N3O2
• Molecular Weight: 189.1708
• MDL Number: MFCD02682060
• SMILES: OC(=O)c1ccc(cc1)n1ncnc1

Computed Properties

• Complexity: 214
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.2

Literature

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

  Bioorganic & medicinal chemistry letters 20101101