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Home > Indoles and Oxindole > 599198-42-2
599198-42-2 | 5-(4-Tert-butylphenyl)-1H-indole
CAS No: 599198-42-2 Catalog No: AG01EWLJ MDL No:
Product Description
Catalog Number:
AG01EWLJ
Chemical Name:
5-(4-Tert-butylphenyl)-1H-indole
CAS Number:
599198-42-2
Molecular Formula:
C18H19N
Molecular Weight:
249.3502
IUPAC Name:
5-(4-tert-butylphenyl)-1H-indole
InChI:
InChI=1S/C18H19N/c1-18(2,3)16-7-4-13(5-8-16)14-6-9-17-15(12-14)10-11-19-17/h4-12,19H,1-3H3
InChI Key:
FKWKURVBCKNBNU-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1ccc2c(c1)cc[nH]2)(C)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.357g/mol
Monoisotopic Mass:
249.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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