5-amino-2,4,6-triiodo-N-methylisophthalamic acid

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

CAS: 2280-89-9

Molecular Formula	`C9H7I3N2O3`
Molecular Weight	571.88 g/mol
LogP	2.0
Topological Polar Surface Area	92.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	571.7591
Heavy Atoms	17
Complexity	329.0

Chemical Identifiers

CAS Number	2280-89-9
SMILES	`CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I`
InChIKey	`AKXKBAWZIVNNJR-UHFFFAOYSA-N`

📖 Product Overview

5-amino-2,4,6-triiodo-N-methylisophthalamic acid (CAS: 2280-89-9) is a chemical compound with molecular formula C9H7I3N2O3 and molecular weight 571.88 g/mol. Its IUPAC systematic name is 3-amino-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid. LogP 2.0 Topological Polar Surface Area 92.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 2 Exact Mass 571.7591 Heavy Atoms 17 Complexity 329.0 InChI Key: AKXKBAWZIVNNJR-UHFFFAOYSA-N. SMILES: CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I.

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