BRN 2781487

3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4,6-triiodobenzoic acid

CAS: 40590-66-7

Molecular Formula	`C13H13I3N2O5`
Molecular Weight	657.97 g/mol
LogP	1.1
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	657.7959
Heavy Atoms	23
Complexity	465.0

Chemical Identifiers

CAS Number	40590-66-7
SMILES	`CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)NCCO)I`
InChIKey	`AMZAGJCNCHZARH-UHFFFAOYSA-N`

📖 Product Overview

BRN 2781487 (CAS: 40590-66-7) is a chemical compound with molecular formula C13H13I3N2O5 and molecular weight 657.97 g/mol. Its IUPAC systematic name is 3-acetamido-5-[2-(2-hydroxyethylamino)-2-oxoethyl]-2,4,6-triiodobenzoic acid. LogP 1.1 Topological Polar Surface Area 116.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 657.7959 Heavy Atoms 23 Complexity 465.0 InChI Key: AMZAGJCNCHZARH-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)NCCO)I.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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