BRN 2918821

3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid

CAS: 57469-53-1

Molecular Formula	`C14H14I3N3O6`
Molecular Weight	700.99 g/mol
LogP	0.6
Topological Polar Surface Area	148.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	700.8017
Heavy Atoms	26
Complexity	564.0

Chemical Identifiers

CAS Number	57469-53-1
SMILES	`COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)C(=O)N)I`
InChIKey	`FJAOSUKULWWOPX-UHFFFAOYSA-N`

📖 Product Overview

BRN 2918821 (CAS: 57469-53-1) is a chemical compound with molecular formula C14H14I3N3O6 and molecular weight 700.99 g/mol. Its IUPAC systematic name is 3-[[3-carbamoyl-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]benzoyl]amino]propanoic acid. LogP 0.6 Topological Polar Surface Area 148.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 700.8017 Heavy Atoms 26 Complexity 564.0 InChI Key: FJAOSUKULWWOPX-UHFFFAOYSA-N. SMILES: COCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCCC(=O)O)I)C(=O)N)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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