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Home > Indoles and Oxindole > 69622-41-9
69622-41-9 | 2-(tert-Butyl)-5-methyl-1H-indole
CAS No: 69622-41-9 Catalog No: AG005WAK MDL No:MFCD01463568
Product Description
Catalog Number:
AG005WAK
Chemical Name:
2-(tert-Butyl)-5-methyl-1H-indole
CAS Number:
69622-41-9
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD01463568
IUPAC Name:
2-tert-butyl-5-methyl-1H-indole
InChI:
InChI=1S/C13H17N/c1-9-5-6-11-10(7-9)8-12(14-11)13(2,3)4/h5-8,14H,1-4H3
InChI Key:
YFVKHVKAHXPBKH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc([nH]2)C(C)(C)C
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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