Basic information
- CAS
23279-50-7- Standard SMILES
CCN(C(C)=O)c1c(I)cc(I)c(C(C)C(=O)O)c1I- InChIKey
OMKIDFZPIMSIQZ-UHFFFAOYSA-N- Molecular formula
- C13H14I3NO3
- Average molar mass
- 612.97 g/mol
- Monoisotopic mass
- 612.8108
Names & identifiers
- Preferred name
- Propionic acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenyl)-
- IUPAC
- 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenyl]propanoic acid
- English name
- 2-[3-(N-Ethylacetylamino)-2,4,6-triiodophenyl]propionic acid
- Molecular formula
- C13H14I3NO3
- Molecular weight
- 612.97
Names & synonyms
23279-50-7BRN 30376902-(3-(N-Ethylacetamido)-2,4,6-triiodophenyl)propionic acidPropionic acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenyl)-RefChem:3751092-{3-[acetyl(ethyl)amino]-2,4,6-triiodophenyl}propanoic acidDTXSID809459652-[3-(N-ethylacetamido)-2,4,6-triiodophenyl]propanoic acid2-[3-(N-Ethylacetylamino)-2,4,6-triiodophenyl]propionic acidBenzeneacetic acid, 3-(acetylethylamino)-2,4,6-triiodo-α-methyl-
Database identifiers
- CAS
23279-50-7- PubChem CID
- 211522
- DTXSID
DTXSID80945965- Nikkaji
- J51.086F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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