Compound C13H14I3NO4

2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]butanoic acid

CAS: 13080-23-4

Molecular Formula	`C13H14I3NO4`
Molecular Weight	628.97 g/mol
LogP	3.7
Topological Polar Surface Area	66.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	628.8057
Heavy Atoms	21
Complexity	396.0

Chemical Identifiers

CAS Number	13080-23-4
SMILES	`CCC(C(=O)O)OC1=C(C=C(C(=C1I)N(C)C(=O)C)I)I`
InChIKey	`SEPSYIXFWLWAQJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H14I3NO4 (CAS: 13080-23-4) is a chemical compound with molecular formula C13H14I3NO4 and molecular weight 628.97 g/mol. Its IUPAC systematic name is 2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]butanoic acid. LogP 3.7 Topological Polar Surface Area 66.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 628.8057 Heavy Atoms 21 Complexity 396.0 InChI Key: SEPSYIXFWLWAQJ-UHFFFAOYSA-N. SMILES: CCC(C(=O)O)OC1=C(C=C(C(=C1I)N(C)C(=O)C)I)I.

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