Methyl α-hydroxy-2-methyl-α-(trifluoromethyl)-1H-indole-3-acetate

CAS Registry Number®

114125-59-6

CAS Name

Methyl α-hydroxy-2-methyl-α-(trifluoromethyl)-1H-indole-3-acetate

Molecular Formula

C13H12F3NO3

Molecular Mass

287.23

Cite this Page

Methyl α-hydroxy-2-methyl-α-(trifluoromethyl)-1H-indole-3-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=114125-59-6 (retrieved 2024-11-22) (CAS RN: 114125-59-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    90-92 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H12F3NO3/c1-7-10(8-5-3-4-6-9(8)17-7)12(19,11(18)20-2)13(14,15)16/h3-6,17,19H,1-2H3

InChIKey

InChIKey=QIOGKHBTRZZGKB-UHFFFAOYSA-N

SMILES

C(C(OC)=O)(C(F)(F)F)(O)C=1C=2C(NC1C)=CC=CC2

Canonical SMILES

O=C(OC)C(O)(C=1C=2C=CC=CC2NC1C)C(F)(F)F

Other Names for this Substance

  • 1H-Indole-3-acetic acid, α-hydroxy-2-methyl-α-(trifluoromethyl)-, methyl ester
  • Methyl α-hydroxy-2-methyl-α-(trifluoromethyl)-1H-indole-3-acetate

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