Home Other Building Blocks 6-Cyanoindole

6-Cyanoindole

CAS No.:
15861-36-6
Catalog Number:
AG001QCF
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$82
- +
100g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG001QCF
Chemical Name:
6-Cyanoindole
CAS Number:
15861-36-6
Molecular Formula:
C9H6N2
Molecular Weight:
142.1573
MDL Number:
MFCD00016732
IUPAC Name:
1H-indole-6-carbonitrile
InChI:
InChI=1S/C9H6N2/c10-6-7-1-2-8-3-4-11-9(8)5-7/h1-5,11H
InChI Key:
SZSZDBFJCQKTRG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)[nH]cc2
EC Number:
239-988-5
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
6-(1H-Tetra-zol-5-yl)-1H-indole monohydrate. Acta crystallographica. Section E, Structure reports online 20110301
Properties