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Home > Indoles and Oxindole > 885273-02-9
885273-02-9 | 1-(4-Cyanophenyl)-1H-indole-5-carbonitrile
CAS No: 885273-02-9 Catalog No: AG0046X9 MDL No:MFCD04114710
Product Description
Catalog Number:
AG0046X9
Chemical Name:
1-(4-Cyanophenyl)-1H-indole-5-carbonitrile
CAS Number:
885273-02-9
Molecular Formula:
C16H9N3
Molecular Weight:
243.2628
MDL Number:
MFCD04114710
IUPAC Name:
1-(4-cyanophenyl)indole-5-carbonitrile
InChI:
InChI=1S/C16H9N3/c17-10-12-1-4-15(5-2-12)19-8-7-14-9-13(11-18)3-6-16(14)19/h1-9H
InChI Key:
PFNGEQDWIWTIAM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1ccc2c1ccc(c2)C#N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.269g/mol
Monoisotopic Mass:
243.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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