1878-65-5 | 3-Chlorophenylacetic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$6.00	$4.00
10g	97%	in stock	$7.00	$5.00
25g	97%	in stock	$9.00	$6.00
100g	97%	in stock	$30.00	$21.00
500g	97%	in stock	$128.00	$90.00

Description

• Catalog Number: AB14496
• Chemical Name: 3-Chlorophenylacetic acid
• CAS Number: 1878-65-5
• Molecular Formula: C8H7ClO2
• Molecular Weight: 170.5930
• MDL Number: MFCD00004332
• SMILES: OC(=O)Cc1cccc(c1)Cl
• NSC Number: 87556

Computed Properties

• Complexity: 147
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.1

Literature

• Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes I and II from a natural product-based phenolic library.

  Bioorganic & medicinal chemistry 20100101

• 3-(3-Chloro-benz-yl)-1H-isochromen-1-one.

  Acta crystallographica. Section E, Structure reports online 20081001