1-Ethoxy-1-oxobutan-2-yl 3-amino-2,4,6-triiodobenzoate

Base Information

• Chemical Name: 1-Ethoxy-1-oxobutan-2-yl 3-amino-2,4,6-triiodobenzoate
• CAS No.: 108902-78-9
• Molecular Formula: C13H14I3NO4
• DSSTox Substance ID: DTXSID00604204

Synonyms:108902-78-9;SCHEMBL9717831;1-Ethoxy-1-oxobutan-2-yl 3-amino-2,4,6-triiodobenzoate;DTXSID00604204

Chemical Property of 1-Ethoxy-1-oxobutan-2-yl 3-amino-2,4,6-triiodobenzoate

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 628.8057
• Heavy Atom Count: 21
• Complexity: 382

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)OCC)OC(=O)C1=C(C(=C(C=C1I)I)N)I

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