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Molecule record

4-bromo-1H-indole

C8H6BrN

196.05 g/mol

Loading structure

Molecular properties

Formula
C8H6BrN
Molar mass
196.05 g·mol−1
Exact mass
194.9684 Da
6
PubChem CID
676494

Functional groups

Aromatic ring
Aryl halide

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-INDOLE, 4-BROMO-
  • 4-Bromoindole
  • 4-Bromoindole, 96%
  • 4-bromo-indole
  • 52488-36-5
  • 610-851-5
  • AC-1029
  • AKOS005146230
Show all 24 synonyms
  • BCP00057
  • BDBM50358748
  • BP-10280
  • CHEMBL1922275
  • CS-D1365
  • DTXCID20301369
  • DTXSID50350300
  • FT-0630305
  • GEO-00479
  • MFCD00671502
  • MS-1992
  • RefChem:520503
  • SCHEMBL147290
  • SCHEMBL19329988
  • SY008903
  • Z1255488032

Structure identifiers

Canonical SMILES
Brc1cccc2[nH]ccc12
Isomeric SMILES
C1=CC2=C(C=CN2)C(=C1)Br
InChI
InChI=1S/C8H6BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChIKey
GRJZJFUBQYULKL-UHFFFAOYSA-N
PubChem CID
676494

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-bromo-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-bromo-1H-indole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record