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Molecule record

4-nitro-1H-indole

C8H6N2O2

162.15 g/mol

Loading structure

Molecular properties

Formula
C8H6N2O2
Molar mass
162.15 g·mol−1
Exact mass
162.0429 Da
7
PubChem CID
145766

Functional groups

Aromatic ring
Nitro compound

Physical properties

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

Common names and synonyms

  • 1H-Indole, 4-nitro-
  • 4-Nitro-1 H-indole
  • 4-Nitro-1H-indole #
  • 4-Nitroindole
  • 4-Nitroindole, 97%
  • 4769-97-5
  • 5-Chloro-4-fl
  • 689-317-9
Show all 24 synonyms
  • A7294
  • AKOS002838736
  • CHEMBL167872
  • CS-D0681
  • EN300-78054
  • InChI=1/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H
  • Indole, 4-nitro-
  • LAVZKLJDKGRZJG-UHFFFAOYSA-
  • MFCD00010056
  • Maybridge1_006408
  • Oprea1_676916
  • RefChem:525839
  • SCHEMBL28549
  • SCHEMBL647821
  • SCHEMBL647822
  • orb2940554

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1cccc2[nH]ccc12
Isomeric SMILES
C1=CC2=C(C=CN2)C(=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-5,9H
InChIKey
LAVZKLJDKGRZJG-UHFFFAOYSA-N
PubChem CID
145766

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-nitro-1H-indole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-nitro-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