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741709-22-8 | Benzonitrile, 4-(2-phenyl-1H-indol-1-yl)-
CAS No: 741709-22-8 Catalog No: AG005DLH MDL No:
Product Description
Catalog Number:
AG005DLH
Chemical Name:
Benzonitrile, 4-(2-phenyl-1H-indol-1-yl)-
CAS Number:
741709-22-8
Molecular Formula:
C21H14N2
Molecular Weight:
294.3493
IUPAC Name:
4-(2-phenylindol-1-yl)benzonitrile
InChI:
InChI=1S/C21H14N2/c22-15-16-10-12-19(13-11-16)23-20-9-5-4-8-18(20)14-21(23)17-6-2-1-3-7-17/h1-14H
InChI Key:
DJDGNJPIBXPTMJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)n1c(cc2c1cccc2)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.357g/mol
Monoisotopic Mass:
294.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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