3-acetamido-2,4,6-triiodo-5-(octanoylamino)benzoic acid

CAS: 67011-43-2

Molecular Formula	`C17H21I3N2O4`
Molecular Weight	698.07 g/mol
LogP	4.7
Topological Polar Surface Area	95.5 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	697.8635
Heavy Atoms	26
Complexity	506.0

Chemical Identifiers

CAS Number	67011-43-2
SMILES	`CCCCCCCC(=O)NC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I`
InChIKey	`NUPMNAQVWKUZSZ-UHFFFAOYSA-N`

📖 Product Overview

3-acetamido-2,4,6-triiodo-5-(octanoylamino)benzoic acid (CAS: 67011-43-2) is a chemical compound with molecular formula C17H21I3N2O4 and molecular weight 698.07 g/mol. Its IUPAC systematic name is 3-acetamido-2,4,6-triiodo-5-(octanoylamino)benzoic acid. LogP 4.7 Topological Polar Surface Area 95.5 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 697.8635 Heavy Atoms 26 Complexity 506.0 InChI Key: NUPMNAQVWKUZSZ-UHFFFAOYSA-N. SMILES: CCCCCCCC(=O)NC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I.

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