699-08-1 | 4-Iodophenetole

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$6.00	$4.00
10g	98%	in stock	$7.00	$5.00
100g	98%	in stock	$58.00	$41.00

Description

• Catalog Number: AB67394
• Chemical Name: 4-Iodophenetole
• CAS Number: 699-08-1
• Molecular Formula: C8H9IO
• Molecular Weight: 248.0609
• MDL Number: MFCD00061124
• SMILES: CCOc1ccc(cc1)I
• NSC Number: 3781

Computed Properties

• Complexity: 87.3
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 3.1

Literature

• Mechanism of orientational isomerism of unsymmetrical guests in a heterodimeric capsule: analysis by ab initio molecular orbital calculations.

  The journal of physical chemistry. B 20100429

• Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility.

  Nature chemical biology 20080601

• Orientational isomerism controlled by the difference in electronic environments of a self-assembling heterodimeric capsule.

  The Journal of organic chemistry 20070427