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Home > Indoles and Oxindole > 15861-36-6
15861-36-6 | 6-Cyanoindole
CAS No: 15861-36-6 Catalog No: AG001QCF MDL No:MFCD00016732
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 |
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