Basic information
- CAS
13080-22-3- Standard SMILES
CCN(C(C)=O)c1c(I)cc(I)c(OCC(=O)O)c1I- InChIKey
RKPZPYBAPOBEOT-UHFFFAOYSA-N- Molecular formula
- C12H12I3NO4
- Average molar mass
- 614.94 g/mol
- Monoisotopic mass
- 614.7901
Names & identifiers
- Preferred name
- 2-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid
- IUPAC
- 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]acetic acid
- English name
- [3-(N-Ethylacetylamino)-2,4,6-triiodophenoxy]acetic acid
- Molecular weight
- 0
Names & synonyms
13080-22-3ACETIC ACID, (3-(N-ETHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-DTXSID90156747RefChem:1061042DTXCID30792382-(3-(Acetylethylamino)-2,4,6-triiodophenoxy)acetic acid[3-(N-Ethylacetylamino)-2,4,6-triiodophenoxy]acetic acid(3-(N-Ethylacetamido)-2,4,6-triiodophenoxy)acetic acidBRN 21674332-[3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy]acetic acid[3-(N-Ethylacetamido)-2,4,6-triiodophenoxy]acetic acid
Database identifiers
- CAS
13080-22-3- PubChem CID
- 25686
- DTXSID
DTXSID90156747- Nikkaji
- J86.193F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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