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Home Other Building Blocks 5-Cyanoindole

5-Cyanoindole

CAS No.:
15861-24-2
Catalog Number:
AG001QCJ
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$675
- +
Product Description
Catalog Number:
AG001QCJ
Chemical Name:
5-Cyanoindole
CAS Number:
15861-24-2
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00005669
IUPAC Name:
1H-indole-5-carbonitrile
InChI:
InChI=1S/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H
InChI Key:
YHYLDEVWYOFIJK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc[nH]2
EC Number:
239-986-4
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
142.161g/mol
Monoisotopic Mass:
142.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
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
Properties