Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- structure

Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-

2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoic acid

Also Known As: Tetrajodterephthalsaure-mono-methylamid|Tetrajodterephthalsaure-mono-methylamid [German]|2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoic acid|Terephthalamic acid, N-methyl-2,3,5,6-tetraiodo-|Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo-|4-((Methylamino)carbonyl)-2,3,5,6-tetraiodobenzoic acid|Terephthalamic acid,N-methyl-2,3,5,6-tetraiodo

CAS: 3942-57-2
Molecular Formula C9H5I4NO3
Molecular Weight 682.6448 g/mol
LogP 3.3
Topological Polar Surface Area 66.4 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 2
Exact Mass 682.6448
Monoisotopic Mass 682.6448
Heavy Atoms 17
Complexity 311.0

Chemical Identifiers

CAS Number 3942-57-2
SMILES CNC(=O)C1=C(C(=C(C(=C1I)I)C(=O)O)I)I
InChIKey KDDWOJDLSNMYCB-UHFFFAOYSA-N

Product Overview

Benzoic acid, 4-((methylamino)carbonyl)-2,3,5,6-tetraiodo- (CAS 3942-57-2), with molecular formula C9H5I4NO3 and molecular weight 682.6448 g/mol. IUPAC: 2,3,5,6-tetraiodo-4-(methylcarbamoyl)benzoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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