2-[3-[(3-amino-2,4,6-triiodobenzoyl)-methylamino]phenoxy]butanoic acid
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![2-[3-[(3-amino-2,4,6-triiodobenzoyl)-methylamino]phenoxy]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ff264ca2856246fe84bc0b7698805bbf.png "2-[3-[(3-amino-2,4,6-triiodobenzoyl)-methylamino]phenoxy]butanoic acid")
2-[3-[(3-amino-2,4,6-triiodobenzoyl)-methylamino]phenoxy]butanoic acid
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CAS No:
22708-36-7
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Formula:
C18H17I3N2O4
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Chemical Name:
2-[3-[(3-amino-2,4,6-triiodobenzoyl)-methylamino]phenoxy]butanoic acid
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Synonyms:
22708-36-7;BRN 2792730;2-(m-(3-Amino-N-methyl-2,4,6-triiodobenzamido)phenoxy)butyric acid;Butyric acid, 2-(m-(3-amino-N-methyl-2,4,6-triiodobenzamido)phenoxy)-;2-{3-[(3-amino-2,4,6-triiodobenzoyl)(methyl)amino]phenoxy}butanoic acid;Butanoic acid, 2-(3-((3-amino-2,4,6-triiodobenzoyl)methylamino)phenoxy)-;alpha-(3-(N-Methyl-N-(3-amino-2,4,6-trijod-benzoyl)-amino)-phenoxy)-buttersaure [German];DTXSID70945378;alpha-(3-(N-Methyl-N-(3-amino-2,4,6-trijod-benzoyl)-amino)-phenoxy)-buttersaure
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CAS No:
2-[3-[(3-amino-2,4,6-triiodobenzoyl)-methylamino]phenoxy]butanoic acid Basic Attributes
706.1 g/mol
705.8322 g/mol
Computed Properties
Molecular Weight:706.1
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:705.8322
Monoisotopic Mass:705.8322
Topological Polar Surface Area:92.9
Heavy Atom Count:27
Complexity:539
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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