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Home > Indoles and Oxindole > 922184-53-0
922184-53-0 | 1H-Indole-3-carbonitrile, 2-methyl-1-phenyl-
CAS No: 922184-53-0 Catalog No: AG0061FB MDL No:
Product Description
Catalog Number:
AG0061FB
Chemical Name:
1H-Indole-3-carbonitrile, 2-methyl-1-phenyl-
CAS Number:
922184-53-0
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
2-methyl-1-phenylindole-3-carbonitrile
InChI:
InChI=1S/C16H12N2/c1-12-15(11-17)14-9-5-6-10-16(14)18(12)13-7-3-2-4-8-13/h2-10H,1H3
InChI Key:
PNBWKWPILIFOOM-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccc2n(c1C)c1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 2-Methyl-1-phenyl-1H-indole-3-carbo-nitrile. | Acta crystallographica. Section E, Structure reports online 20111101 |
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