BRN 2771170

3-acetamido-5-(2-amino-2-oxoethyl)-2,4,6-triiodobenzoic acid

CAS: 40590-65-6

Molecular Formula	`C11H9I3N2O4`
Molecular Weight	613.91 g/mol
LogP	1.4
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	613.7696
Heavy Atoms	20
Complexity	420.0

Chemical Identifiers

CAS Number	40590-65-6
SMILES	`CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)N)I`
InChIKey	`NDQMXNVDCKNYTF-UHFFFAOYSA-N`

📖 Product Overview

BRN 2771170 (CAS: 40590-65-6) is a chemical compound with molecular formula C11H9I3N2O4 and molecular weight 613.91 g/mol. Its IUPAC systematic name is 3-acetamido-5-(2-amino-2-oxoethyl)-2,4,6-triiodobenzoic acid. LogP 1.4 Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 613.7696 Heavy Atoms 20 Complexity 420.0 InChI Key: NDQMXNVDCKNYTF-UHFFFAOYSA-N. SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)CC(=O)N)I.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

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

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