5-Bromo-1H-indole-3-butanoic acid

CAS Registry Number®

13993-31-2

CAS Name

5-Bromo-1H-indole-3-butanoic acid

Molecular Formula

C12H12BrNO2

Molecular Mass

282.13

Cite this Page

5-Bromo-1H-indole-3-butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13993-31-2 (retrieved 2024-11-21) (CAS RN: 13993-31-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H12BrNO2/c13-9-4-5-11-10(6-9)8(7-14-11)2-1-3-12(15)16/h4-7,14H,1-3H2,(H,15,16)

InChIKey

InChIKey=JXXIGLYAOIPPCH-UHFFFAOYSA-N

SMILES

C(CCC(O)=O)C=1C=2C(NC1)=CC=C(Br)C2

Canonical SMILES

O=C(O)CCCC1=CNC=2C=CC(Br)=CC21

Other Names for this Substance

  • 1H-Indole-3-butanoic acid, 5-bromo-
  • Indole-3-butyric acid, 5-bromo-
  • 5-Bromo-1H-indole-3-butanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration