Molecular properties
- Formula
- C7H5NO3
- Molar mass
- 151.12 g·mol−1
- Exact mass
- 151.0269 Da
- 6
- PubChem CID
- 7449
Molecule record
3-nitrobenzaldehyde
C7H5NO3
151.12 g/mol
Loading structure
Functional groups
Aldehyde
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 202-772-6
- 3-Formylnitrobenzene
- 3-Nitrobenzaldehyde, ReagentPlus(R), 99%
- 3-Nitrobenzenecarboxaldehyde
- 3-nitro-benzaldehyde
- 3-nitrobenzenealdehyde
- 5-Nitrobenzaldehyde
- 99-61-6
Show all 24 synonyms
- AC-10904
- AI3-08906
- BBL011958
- Benidipine Impurity A
- Benzaldehyde, 3-nitro-
- Benzaldehyde, m-nitro-
- DTXCID5029342
- DTXSID8049383
- G4O92KO71Z
- MFCD00007249
- NSC-5504
- NSC5504
- RefChem:95017
- UNII-G4O92KO71Z
- m-Nitrobenzaldehyde
- meta-nitrobenzaldehyde
Structure identifiers
- Canonical SMILES
- O=Cc1cccc([N+](=O)[O-])c1
- Isomeric SMILES
- C1=CC(=CC(=C1)[N+](=O)[O-])C=O
- InChI
- InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
- InChIKey
- ZETIVVHRRQLWFW-UHFFFAOYSA-N
- PubChem CID
- 7449
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 3-nitrobenzaldehyde; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-nitrobenzaldehyde; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.