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Molecule record

1-benzofuran-3-carbonitrile

C9H5NO

143.14 g/mol

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Molecular properties

Formula
C9H5NO
Molar mass
143.14 g·mol−1
Exact mass
143.0371 Da
8
PubChem CID
15743085

Functional groups

Aromatic ring
Nitrile

Physical properties

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

Common names and synonyms

  • 3-Benzofurancarbonitrile
  • 3-cyanobenzofuran
  • 55877-31-1
  • AB91407
  • AKOS013356737
  • CS-0260976
  • CS-12071
  • DB-366395
Show all 23 synonyms
  • DTXCID60528598
  • DTXSID40577827
  • EN300-76483
  • F672649
  • FCA87731
  • MFCD00810098
  • N12998
  • RefChem:227798
  • SCHEMBL18936032
  • SCHEMBL1998501
  • SCHEMBL636934
  • SY036790
  • VLLADTXGBAUFMW-UHFFFAOYSA-N
  • Z1188275503
  • benzofuran-3-carbonitrile

Structure identifiers

Canonical SMILES
N#Cc1coc2ccccc12
Isomeric SMILES
C1=CC=C2C(=C1)C(=CO2)C#N
InChI
InChI=1S/C9H5NO/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H
InChIKey
VLLADTXGBAUFMW-UHFFFAOYSA-N
PubChem CID
15743085

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

Simulated EI mass spectrum

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