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Home > Indoles and Oxindole > 694533-08-9
694533-08-9 | 4-(1H-INDOL-5-YL)-BENZONITRILE
CAS No: 694533-08-9 Catalog No: AG005Z2I MDL No:
Product Description
Catalog Number:
AG005Z2I
Chemical Name:
4-(1H-INDOL-5-YL)-BENZONITRILE
CAS Number:
694533-08-9
Molecular Formula:
C15H10N2
Molecular Weight:
218.2533
IUPAC Name:
4-(1H-indol-5-yl)benzonitrile
InChI:
InChI=1S/C15H10N2/c16-10-11-1-3-12(4-2-11)13-5-6-15-14(9-13)7-8-17-15/h1-9,17H
InChI Key:
POHRJJCEWJUVEY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc2c(c1)cc[nH]2
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.259g/mol
Monoisotopic Mass:
218.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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