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Home > Indoles and Oxindole > 827017-51-6
827017-51-6 | 1H-Indole, 2-ethyl-1-methyl-3-phenyl-
CAS No: 827017-51-6 Catalog No: AG005B0J MDL No:
Product Description
Catalog Number:
AG005B0J
Chemical Name:
1H-Indole, 2-ethyl-1-methyl-3-phenyl-
CAS Number:
827017-51-6
Molecular Formula:
C17H17N
Molecular Weight:
235.3236
IUPAC Name:
2-ethyl-1-methyl-3-phenylindole
InChI:
InChI=1S/C17H17N/c1-3-15-17(13-9-5-4-6-10-13)14-11-7-8-12-16(14)18(15)2/h4-12H,3H2,1-2H3
InChI Key:
FCFFZGMSWIHEJJ-UHFFFAOYSA-N
SMILES:
CCc1n(C)c2c(c1c1ccccc1)cccc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.33g/mol
Monoisotopic Mass:
235.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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