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

CAS Registry Number®

10406-06-1
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CAS Name

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

Molecular Formula

C9H6BrNO2

Molecular Mass

240.05

Cite this Page

5-Bromo-1H-indole-3-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10406-06-1 (retrieved 2024-04-29) (CAS RN: 10406-06-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238-240 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)

InChIKey

InChIKey=JVZMBSGNSAHFCY-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C1=CNC=2C=CC(Br)=CC21

Other Names for this Substance

  • 1H-Indole-3-carboxylic acid, 5-bromo-
  • Indole-3-carboxylic acid, 5-bromo-
  • 5-Bromo-1H-indole-3-carboxylic acid
  • 5-Bromoindole-3-carboxylic acid

CAS INSIGHTSTM
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