1H-Indole-5-carbonitrile, 1-(phenylmethyl)-


Chemical Name: 1H-Indole-5-carbonitrile, 1-(phenylmethyl)-
CAS Number: 80531-13-1
Product Number: AG00G4K4(AGN-PC-00TXC8)
Synonyms:
MDL No:
Molecular Formula: C16H12N2
Molecular Weight: 232.2799

Identification/Properties


Computed Properties
Molecular Weight:
232.286g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
232.1g/mol
Monoisotopic Mass:
232.1g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
323
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

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NMR Spectrum


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