1H-Indole-4-carbonitrile


Chemical Name: 1H-Indole-4-carbonitrile
CAS Number: 16136-52-0
Product Number: AG001SEV(AGN-PC-0L0HX1)
Synonyms:
MDL No: MFCD00152045
Molecular Formula: C9H6N2
Molecular Weight: 142.1573

Identification/Properties


Properties
MP:
117-121 °C(lit.)
BP:
350°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
142.161g/mol
XLogP3:
2.5
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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