BRN 2800019

3-[3-[3-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodobenzoic acid

CAS: 51134-94-2

Molecular Formula	`C23H20I6N2O8`
Molecular Weight	1213.8 g/mol
LogP	4.9
Topological Polar Surface Area	151.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	14
Exact Mass	1213.5488
Heavy Atoms	39
Complexity	791.0

Chemical Identifiers

CAS Number	51134-94-2
SMILES	`C1=C(C(=C(C(=C1I)NC(=O)CCOCCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I`
InChIKey	`XAEFFXGVTYPNID-UHFFFAOYSA-N`

📖 Product Overview

BRN 2800019 (CAS: 51134-94-2) is a chemical compound with molecular formula C23H20I6N2O8 and molecular weight 1213.8 g/mol. Its IUPAC systematic name is 3-[3-[3-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]propoxy]propanoylamino]-2,4,6-triiodobenzoic acid. LogP 4.9 Topological Polar Surface Area 151.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 14 Exact Mass 1213.5488 Heavy Atoms 39 Complexity 791.0 InChI Key: XAEFFXGVTYPNID-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)NC(=O)CCOCCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)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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