BENZOIC ACID, 3,5-DIVALERAMIDO-2,4,6-TRIIODO-

2,4,6-triiodo-3,5-bis(pentanoylamino)benzoic acid

CAS: 67049-60-9

Molecular Formula	`C17H21I3N2O4`
Molecular Weight	698.07 g/mol
LogP	4.5
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	470.0

Chemical Identifiers

CAS Number	67049-60-9
SMILES	`CCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCC)I`
InChIKey	`GGFOCZVPIOWRFB-UHFFFAOYSA-N`

📖 Product Overview

BENZOIC ACID, 3,5-DIVALERAMIDO-2,4,6-TRIIODO- (CAS: 67049-60-9) is a chemical compound with molecular formula C17H21I3N2O4 and molecular weight 698.07 g/mol. Its IUPAC systematic name is 2,4,6-triiodo-3,5-bis(pentanoylamino)benzoic acid. LogP 4.5 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 470.0 InChI Key: GGFOCZVPIOWRFB-UHFFFAOYSA-N. SMILES: CCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCC)I.

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