Molecular properties
- Formula
- C7H5IO2
- Molar mass
- 248.02 g·mol−1
- Exact mass
- 247.9334 Da
- 5
- PubChem CID
- 12060
Molecule record
3-iodobenzoic acid
C7H5IO2
248.02 g/mol
Loading structure
Functional groups
Aromatic ring
Aryl halide
Carboxylic acid
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 210-555-2
- 3-Iodo-benzoic acid
- 3-Iodobenzenecarboxylic Acid; NSC 176131; NSC 74693; m-Carboxyiodobenzene; m-Iodobenzoic Acid;
- 618-51-9
- AB01333667-02
- AE-562/43403710
- Benzoic acid, 3-iodo-
- Benzoic acid, m-iodo-
Show all 24 synonyms
- CHEBI:166852
- DTXCID0043133
- DTXSID6060682
- EINECS 210-555-2
- EN300-17391
- F2191-0117
- MFCD00002496
- NSC-74693
- NSC74693
- Q4ZCP9G95X
- RefChem:502760
- SB66453
- STR07725
- UNII-Q4ZCP9G95X
- Z56924537
- m-Iodobenzoic acid
Structure identifiers
- Canonical SMILES
- O=C(O)c1cccc(I)c1
- Isomeric SMILES
- C1=CC(=CC(=C1)I)C(=O)O
- InChI
- InChI=1S/C7H5IO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
- InChIKey
- KVBWBCRPWVKFQT-UHFFFAOYSA-N
- PubChem CID
- 12060
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-iodobenzoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-iodobenzoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.