ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate
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![ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6f8d72b95e11441aa80c83f5859d3cc4.png "ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate")
ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate
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CAS No:
100850-30-4
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Formula:
C13H16I3NO2
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Chemical Name:
ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate
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Synonyms:
ethyl iopanoate; (+/-)-iopanoic acid ethyl ester;
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CAS No:
Computed Properties
Molecular Weight:598.98
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:598.8315
Monoisotopic Mass:598.8315
Topological Polar Surface Area:52.3
Heavy Atom Count:19
Complexity:304
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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