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Home > Indoles and Oxindole > 57880-12-3
57880-12-3 | 2-tert-butyl-4-Methyl-1H-indole
CAS No: 57880-12-3 Catalog No: AG01EWIY MDL No:
Product Description
Catalog Number:
AG01EWIY
Chemical Name:
2-tert-butyl-4-Methyl-1H-indole
CAS Number:
57880-12-3
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
IUPAC Name:
2-tert-butyl-4-methyl-1H-indole
InChI:
InChI=1S/C13H17N/c1-9-6-5-7-11-10(9)8-12(14-11)13(2,3)4/h5-8,14H,1-4H3
InChI Key:
CAWMRDGUUBKNRS-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1cc([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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