1H-Indole-3-carbonitrile


Chemical Name: 1H-Indole-3-carbonitrile
CAS Number: 5457-28-3
Product Number: AG0037OE(AGN-PC-0JO8O7)
Synonyms:
MDL No:
Molecular Formula: C9H6N2
Molecular Weight: 142.1573

Identification/Properties


Properties
MP:
179-182 °C(lit.)
BP:
249.72°C (rough estimate)
Storage:
Room Temperature;
Form:
Solid
Stability:
Air & Light Sensitive
Refractive Index:
1.6211 (estimate)
Computed Properties
Molecular Weight:
142.161g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
142.053g/mol
Monoisotopic Mass:
142.053g/mol
Topological Polar Surface Area:
39.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
191
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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