939-80-0 | 4-Chloro-3-nitrobenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$16.00	$11.00
5g	97%	in stock	$25.00	$17.00
25g	97%	in stock	$41.00	$29.00
100g	97%	in stock	$89.00	$62.00
500g	97%	in stock	$297.00	$208.00

Description

• Catalog Number: AB67171
• Chemical Name: 4-Chloro-3-nitrobenzonitrile
• CAS Number: 939-80-0
• Molecular Formula: C7H3ClN2O2
• Molecular Weight: 182.5639
• MDL Number: MFCD00016987
• SMILES: N#Cc1ccc(c(c1)[N+](=O)[O-])Cl

Computed Properties

• Complexity: 229
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• XLogP3: 2

Literature

• 4-Isopropyl-amino-3-nitro-benzonitrile.

  Acta crystallographica. Section E, Structure reports online 20120101

• Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing.

  Journal of medicinal chemistry 20111222

• 3-Nitro-4-(propyl-amino)-benzonitrile.

  Acta crystallographica. Section E, Structure reports online 20111201

• Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity.

  PloS one 20090101

• 4-Chloro-3-nitro-benzonitrile.

  Acta crystallographica. Section E, Structure reports online 20090101

• Nitrobenzene compounds inhibit expression of VCAM-1.

  Bioorganic & medicinal chemistry letters 20010723