Molecular properties
- Formula
- C8H7NO3
- Molar mass
- 165.15 g·mol−1
- Exact mass
- 165.0426 Da
- 6
- PubChem CID
- 7487
Molecule record
1-(4-nitrophenyl)ethanone
C8H7NO3
165.15 g/mol
Loading structure
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-(4-Nitrophenyl)ethan-1-one
- 1-Acetyl-4-nitrobenzene
- 100-19-6
- 202-827-4
- 4'-Nitroacetophenone
- 4-Acetylnitrobenzene
- 4-nitro acetophenone
- 4-nitrophenyl methyl ketone
Show all 24 synonyms
- 4FM2J8HQ27
- Acetophenone, 4'-nitro-
- CHEBI:28735
- DTXCID105724
- DTXSID1025724
- Ethanone, 1-(4-nitrophenyl)-
- MFCD00007355
- Methyl 4-nitrophenyl ketone
- Methyl-p-nitrophenyl ketone
- NSC-41590
- PNAP
- Paranitroacetophenone
- RefChem:525903
- p-Acetylnitrobenzene
- p-Nitroacetophenone
- p-Nitrophenyl methyl ketone
Structure identifiers
- Canonical SMILES
- CC(=O)c1ccc([N+](=O)[O-])cc1
- Isomeric SMILES
- CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
- InChIKey
- YQYGPGKTNQNXMH-UHFFFAOYSA-N
- PubChem CID
- 7487
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-(4-nitrophenyl)ethanone; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-(4-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.