Molecular properties
- Formula
- C9H9IO2
- Molar mass
- 276.07 g·mol−1
- Exact mass
- 275.9647 Da
- 5
- PubChem CID
- 12510118
Molecule record
2-iodoethyl benzoate
C9H9IO2
276.07 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkyl halide
Aromatic ring
Ester
Ether
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-IodoethylBenzoate
- 39252-69-2
- 677-165-6
- AKOS015917470
- B0070
- BS-28005
- Benzoic Acid 2-Iodoethyl Ester
- CS-0207181
Show all 19 synonyms
- DTXCID50451669
- DTXSID60500859
- Ethanol, 2-iodo-, benzoate
- Ethanol, 2-iodo-,1-benzoate
- F631652
- G79806
- MFCD00059491
- RefChem:262269
- SCHEMBL2747973
- SY053030
- benzoic acid 2-iodo-ethyl ester
Structure identifiers
- Canonical SMILES
- O=C(OCCI)c1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)C(=O)OCCI
- InChI
- InChI=1S/C9H9IO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
- InChIKey
- HNQYNCREQXENCK-UHFFFAOYSA-N
- PubChem CID
- 12510118
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 2-iodoethyl benzoate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-iodoethyl benzoate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.