5-Bromo-2-carboxy-1H-indole-3-acetic acid

CAS Registry Number®

132623-09-7
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CAS Name

5-Bromo-2-carboxy-1H-indole-3-acetic acid

Molecular Formula

C11H8BrNO4

Molecular Mass

298.09

Cite this Page

5-Bromo-2-carboxy-1H-indole-3-acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=132623-09-7 (retrieved 2024-09-08) (CAS RN: 132623-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H8BrNO4/c12-5-1-2-8-6(3-5)7(4-9(14)15)10(13-8)11(16)17/h1-3,13H,4H2,(H,14,15)(H,16,17)

InChIKey

InChIKey=QMJWLTUBMZFFKP-UHFFFAOYSA-N

SMILES

C(C(O)=O)C=1C=2C(NC1C(O)=O)=CC=C(Br)C2

Canonical SMILES

O=C(O)C=1NC=2C=CC(Br)=CC2C1CC(=O)O

Other Names for this Substance

  • 1H-Indole-3-acetic acid, 5-bromo-2-carboxy-
  • 3-Indoleacetic acid, 5-bromo-2-carboxy-
  • 5-Bromo-2-carboxy-1H-indole-3-acetic acid