Molecular properties
- Formula
- C6H4INO2
- Molar mass
- 249.01 g·mol−1
- Exact mass
- 248.9287 Da
- 5
- PubChem CID
- 69115
Molecule record
1-iodo-2-nitrobenzene
C6H4INO2
249.01 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-iodo-2-nitro-benzene
- 1-nitro-2-iodobenzene
- 2-Iodo-l-nitrobenzene
- 2-Iodonitrobenzene
- 2-Nitroiodobenzene
- 2-iodo-1-nitrobenzene
- 2-iodo-nitrobenzene
- 2-nitro-1-iodobenzene
Show all 24 synonyms
- 2-nitro-iodobenzene
- 5D7NBA9LSJ
- 609-73-4
- Benzene, 1-iodo-2-nitro-
- MFCD00007088
- NSC-9793
- NSC9793
- RefChem:562491
- SCHEMBL247495
- SCHEMBL25105
- ghl.PD_Mitscher_leg0.939
- iodonitrobenzene
- o-Iodonitrobenzene
- o-Nitroiodobenzene
- ortho-iodonitrobenzene
- ortho-nitroiodobenzene
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1ccccc1I
- Isomeric SMILES
- C1=CC=C(C(=C1)[N+](=O)[O-])I
- InChI
- InChI=1S/C6H4INO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
- InChIKey
- JXMZUNPWVXQADG-UHFFFAOYSA-N
- PubChem CID
- 69115
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-iodo-2-nitrobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-iodo-2-nitrobenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.