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Molecule record

1-(2-nitrophenyl)ethanone

C8H7NO3

165.15 g/mol

Loading structure

Molecular properties

Formula
C8H7NO3
Molar mass
165.15 g·mol−1
Exact mass
165.0426 Da
6
PubChem CID
11346

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ketone
Nitro compound

Physical properties

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

Common names and synonyms

  • 1-acetyl-2-nitrobenzene
  • 2'-Nitroacetophenone
  • 2-Acetylnitrobenzene
  • 4-07-00-00655 (Beilstein Handbook Reference)
  • 52L53K4X3O
  • 577-59-3
  • Acetophenone, 2'-nitro-
  • BRN 1102322
Show all 24 synonyms
  • CCRIS 2329
  • DTXCID705723
  • DTXSID6025723
  • EINECS 209-414-8
  • Ethanone, 1-(2-nitrophenyl)-
  • InChI=1/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H
  • METHYL O-NITROPHENYL KETONE
  • NITROACETOPHENONE, O-
  • NSC 3641
  • O-ACETYLNITROBENZENE
  • O-NITROACETOPHENONE
  • O-NITROACETYLBENZENE
  • RefChem:80403
  • SUGXZLKUDLDTKX-UHFFFAOYSA-N
  • UNII-52L53K4X3O
  • o-Nitrophenyl methyl ketone

Structure identifiers

Canonical SMILES
CC(=O)c1ccccc1[N+](=O)[O-]
Isomeric SMILES
CC(=O)C1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3
InChIKey
SUGXZLKUDLDTKX-UHFFFAOYSA-N
PubChem CID
11346

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-(2-nitrophenyl)ethanone; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-(2-nitrophenyl)ethanone; 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