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Home > Indoles and Oxindole > 741709-19-3
741709-19-3 | 1H-Indole-5-carbonitrile, 1-methyl-2-phenyl-
CAS No: 741709-19-3 Catalog No: AG005DVA MDL No:
Product Description
Catalog Number:
AG005DVA
Chemical Name:
1H-Indole-5-carbonitrile, 1-methyl-2-phenyl-
CAS Number:
741709-19-3
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
IUPAC Name:
1-methyl-2-phenylindole-5-carbonitrile
InChI:
InChI=1S/C16H12N2/c1-18-15-8-7-12(11-17)9-14(15)10-16(18)13-5-3-2-4-6-13/h2-10H,1H3
InChI Key:
UEDPJEAILDTTLD-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc(n2C)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:
3.4
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