BRN 2913622

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

CAS: 57469-51-9

Molecular Formula	`C14H14I3N3O5`
Molecular Weight	684.99 g/mol
LogP	1.6
Topological Polar Surface Area	125.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	684.8068
Heavy Atoms	25
Complexity	562.0

Chemical Identifiers

CAS Number	57469-51-9
SMILES	`CC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)C(=O)NC)I)NC(=O)C)I`
InChIKey	`HSGXTFDCAGKVDK-UHFFFAOYSA-N`

📖 Product Overview

BRN 2913622 (CAS: 57469-51-9) is a chemical compound with molecular formula C14H14I3N3O5 and molecular weight 684.99 g/mol. Its IUPAC systematic name is 2-[[3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]propanoic acid. LogP 1.6 Topological Polar Surface Area 125.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 684.8068 Heavy Atoms 25 Complexity 562.0 InChI Key: HSGXTFDCAGKVDK-UHFFFAOYSA-N. SMILES: CC(C(=O)O)NC(=O)C1=C(C(=C(C(=C1I)C(=O)NC)I)NC(=O)C)I.

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