Molecular properties
- Formula
- C6H4INO2
- Molar mass
- 249.01 g·mol−1
- Exact mass
- 248.9287 Da
- 5
- PubChem CID
- 12574
Molecule record
1-iodo-3-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
- 3-I-nitrobenzene
- 3-Iodonitrobenzene
- 3-NITRO-1-IODOBENZENE
- 3-NITROPHENYL IODIDE
- 3-iodo-1-nitrobenzene
- 3-nitroiodobenzene
- 3iodonitrobenzene
- 645-00-1
Show all 24 synonyms
- AI3-15390
- Benzene, 1-iodo-3-nitro-
- CHEBI:67123
- DTXCID105449
- DTXSID5025449
- EINECS 211-427-9
- F6TCH3TLL9
- IODO-3-NITROBENZENE, 1-
- M-IODONITROBENZENE
- M-NITROIODOBENZENE
- M-NITROPHENYL IODIDE
- NSC 3538
- iodo-3-nitrobenzene
- mIodonitrobenzene
- mNitroiodobenzene
- meta-nitroiodobenzene
Structure identifiers
- Canonical SMILES
- O=[N+]([O-])c1cccc(I)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)I)[N+](=O)[O-]
- InChI
- InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
- InChIKey
- CBYAZOKPJYBCHE-UHFFFAOYSA-N
- PubChem CID
- 12574
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-3-nitrobenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-iodo-3-nitrobenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.