BRN 2904541

3-[4-[(3-amino-2,4,6-triiodobenzoyl)amino]phenyl]propanoic acid

CAS: 22708-48-1

Molecular Formula	`C16H13I3N2O3`
Molecular Weight	662.0 g/mol
LogP	3.8
Topological Polar Surface Area	92.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	661.806
Heavy Atoms	24
Complexity	458.0

Chemical Identifiers

CAS Number	22708-48-1
SMILES	`C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=C(C(=C(C=C2I)I)N)I`
InChIKey	`MFJHJTQAGFREML-UHFFFAOYSA-N`

📖 Product Overview

BRN 2904541 (CAS: 22708-48-1) is a chemical compound with molecular formula C16H13I3N2O3 and molecular weight 662.0 g/mol. Its IUPAC systematic name is 3-[4-[(3-amino-2,4,6-triiodobenzoyl)amino]phenyl]propanoic acid. LogP 3.8 Topological Polar Surface Area 92.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 661.806 Heavy Atoms 24 Complexity 458.0 InChI Key: MFJHJTQAGFREML-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1CCC(=O)O)NC(=O)C2=C(C(=C(C=C2I)I)N)I.

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