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84117-86-2 | 1H-Indole-2-carboxylicacid, 1,1-dimethylethyl ester
CAS No: 84117-86-2 Catalog No: AG004PLZ MDL No:
Product Description
Catalog Number:
AG004PLZ
Chemical Name:
1H-Indole-2-carboxylicacid, 1,1-dimethylethyl ester
CAS Number:
84117-86-2
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
tert-butyl 1H-indole-2-carboxylate
InChI:
InChI=1S/C13H15NO2/c1-13(2,3)16-12(15)11-8-9-6-4-5-7-10(9)14-11/h4-8,14H,1-3H3
InChI Key:
FMNXFKVTZJWOAD-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c([nH]1)cccc2)OC(C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 2-Aryl-N-acyl indole derivatives as liver X receptor (LXR) agonists. | Bioorganic & medicinal chemistry letters 20070815 |
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