Basic information
- CAS
1225-80-5- Standard SMILES
CCCC(=O)Nc1c(I)cc(I)c(OCC(=O)O)c1I- InChIKey
DQYDYPKZINZWOC-UHFFFAOYSA-N- Molecular formula
- C12H12I3NO4
- Average molar mass
- 614.94 g/mol
- Monoisotopic mass
- 614.7901
Names & identifiers
- Preferred name
- Acetic acid, (3-butyramido-2,4,6-triiodophenoxy)-
- IUPAC
- 2-[3-(butanoylamino)-2,4,6-triiodophenoxy]acetic acid
Names & synonyms
BRN 2706420ACETIC ACID, (3-BUTYRAMIDO-2,4,6-TRIIODOPHENOXY)-(3-Butyramido-2,4,6-triiodophenoxy)acetic acid1225-80-52,4,6-Trijod-3-(n)-butyrylamino-phenoxy-essigsaeure [German]DTXSID701536332,4,6-Trijod-3-(n)-butyrylamino-phenoxy-essigsaeureRefChem:316198DTXCID0076124(3-Butanamido-2,4,6-triiodophenoxy)acetic acid
Database identifiers
- CAS
1225-80-5- PubChem CID
- 14671
- DTXSID
DTXSID70153633- Nikkaji
- J79.193H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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