1-(1,1-Dimethylethyl) 2-borono-4-fluoro-1H-indole-1-carboxylate

CAS Registry Number®

1000068-25-6

CAS Name

1-(1,1-Dimethylethyl) 2-borono-4-fluoro-1H-indole-1-carboxylate

Molecular Formula

C13H15BFNO4

Molecular Mass

279.07

Cite this Page

1-(1,1-Dimethylethyl) 2-borono-4-fluoro-1H-indole-1-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1000068-25-6 (retrieved 2024-12-02) (CAS RN: 1000068-25-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    79 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-6-4-5-9(15)8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3

InChIKey

InChIKey=GIHZCAVQMVZATP-UHFFFAOYSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=2C(C=C1B(O)O)=C(F)C=CC2

Canonical SMILES

O=C(OC(C)(C)C)N1C(=CC=2C(F)=CC=CC21)B(O)O

Other Names for this Substance

  • 1H-Indole-1-carboxylic acid, 2-borono-4-fluoro-, 1-(1,1-dimethylethyl) ester
  • 1-(1,1-Dimethylethyl) 2-borono-4-fluoro-1H-indole-1-carboxylate
  • [1-(tert-Butoxycarbonyl)-4-fluoro-1H-indol-2-yl]boronic acid

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