3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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![3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f75613b016214d63bb1cc97802fe4150.png "3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid")
3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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CAS No:
21656-26-8
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Formula:
C12H11I3N2O4
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Chemical Name:
3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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Synonyms:
Benzoic acid,3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-;Isophthalamic acid,2,4,6-triiodo-N-methyl-5-(N-methylacetamido)-;3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid;2,4,6-Triiodo-3-(N-methylcarbamoyl)-5-(N-methylacetylamino)benzoic acid;2,4,6-Triiodo-3,N-methylcarbamyl-5-(N-methylacetylamino)benzoic acid;P 94
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CAS No:
3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid Basic Attributes
627.94015
627.94
244-509-8
3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid Use and Manufacturing
2,4,6-Triiodobenzoic acid compound, used in the preparation of radiocontrast agents.
Computed Properties
Molecular Weight:627.94
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:627.7853
Monoisotopic Mass:627.7853
Topological Polar Surface Area:86.7
Heavy Atom Count:21
Complexity:448
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(Acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
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