55317-53-8 | 2-(1H-Pyrazol-1-yl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$50.00	$35.00
5g	98%	in stock	$163.00	$114.00
25g	98%	in stock	$449.00	$315.00
100g	98%	in stock	$1,319.00	$923.00

Description

• Catalog Number: AB58840
• Chemical Name: 2-(1H-Pyrazol-1-yl)benzoic acid
• CAS Number: 55317-53-8
• Molecular Formula: C10H8N2O2
• Molecular Weight: 188.1827
• MDL Number: MFCD03086184
• SMILES: OC(=O)c1ccccc1n1cccn1

Computed Properties

• Complexity: 220
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.4

Literature

• Synthesis of 4-substituted chlorophthalazines, dihydrobenzoazepinediones, 2-pyrazolylbenzoic acid, and 2-pyrazolylbenzohydrazide via 3-substituted 3-hydroxyisoindolin-1-ones.

  The Journal of organic chemistry 20120420