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Molecule record

3-bromo-1-benzofuran

C8H5BrO

197.03 g/mol

Loading structure

Molecular properties

Formula
C8H5BrO
Molar mass
197.03 g·mol−1
Exact mass
195.9524 Da
6
PubChem CID
640589

Functional groups

Aromatic ring
Aryl halide

Physical properties

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

Common names and synonyms

  • 3-Bromobenzo[b]furan
  • 3-bromo-1-benzofuran, AldrichCPR
  • 3-bromo-benzo[b]furan
  • 3-bromobenzofuran
  • 3-bromobenzofurane
  • 59214-70-9
  • 809-863-5
  • AC-0812
Show all 24 synonyms
  • AKOS003585189
  • DB-008287
  • DTXCID60299837
  • DTXSID30348765
  • ICJNAOJPUTYWNV-UHFFFAOYSA-N
  • InChI=1/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5
  • MB01644
  • MFCD01029425
  • RefChem:498198
  • SBB054554
  • SCHEMBL29874833
  • SCHEMBL546688
  • SCHEMBL6008
  • ST035563
  • SY004448
  • benzofuran, 3-bromo-

Structure identifiers

Canonical SMILES
Brc1coc2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CO2)Br
InChI
InChI=1S/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChIKey
ICJNAOJPUTYWNV-UHFFFAOYSA-N
PubChem CID
640589

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 3-bromo-1-benzofuran; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 3-bromo-1-benzofuran; 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