15861-24-2 | 5-Cyanoindole

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$19.00	$13.00
25g	95%	in stock	$39.00	$27.00
500g	95%	in stock	$727.00	$509.00

Description

• Catalog Number: AA80603
• Chemical Name: 5-Cyanoindole
• CAS Number: 15861-24-2
• Molecular Formula: C9H6N2
• Molecular Weight: 142.1573
• MDL Number: MFCD00005669
• SMILES: N#Cc1ccc2c(c1)cc[nH]2

Computed Properties

• Complexity: 191
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 1
• XLogP3: 2.4

Literature

• The structure of 5-cyanoindole in the ground and the lowest electronically excited singlet states, deduced from rotationally resolved electronic spectroscopy and ab initio theory.

  Physical chemistry chemical physics : PCCP 20120807

• 4-(1H-Tetra-zol-5-yl)-1H-indole.

  Acta crystallographica. Section E, Structure reports online 20100901

• Nucleophilic reactivities of indoles.

  The Journal of organic chemistry 20061124

• 1H NMR spectral studies on the polymerization mechanism of indole and its derivatives.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20060301