Basic information
- CAS
24340-16-7- Standard SMILES
CCC(Oc1c(I)cc(I)c(N(CC)C(C)=O)c1I)C(=O)O- InChIKey
DNUASVBVGIYWCJ-UHFFFAOYSA-N- Molecular formula
- C14H16I3NO4
- Average molar mass
- 642.99 g/mol
- Monoisotopic mass
- 642.8214
Names & identifiers
- Preferred name
- Butyric acid, 2-(3-(N-ethylacetamido)-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]butanoic acid
- English name
- 2-[3-(N-Ethylacetylamino)-2,4,6-triiodophenoxy]butyric acid
- Molecular formula
- C14H16I3NO4
- Molecular weight
- 642.99
Names & synonyms
24340-16-72-(3-(N-Ethylacetamido)-2,4,6-triiodophenoxy)butyric acidBUTYRIC ACID, 2-(3-(N-ETHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-RefChem:331238DTXSID109471742-[3-(N-ethylacetamido)-2,4,6-triiodophenoxy]butanoic acid2-{3-[Acetyl(ethyl)amino]-2,4,6-triiodophenoxy}butanoic acid2-[3-(N-Ethylacetylamino)-2,4,6-triiodophenoxy]butyric acidButanoic acid, 2-[3-(acetylethylamino)-2,4,6-triiodophenoxy]-
Database identifiers
- CAS
24340-16-7- PubChem CID
- 32297
- DTXSID
DTXSID10947174- Nikkaji
- J65.889H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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