BRN 3037691

2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]butanoic acid

CAS: 23217-82-5

Molecular Formula	`C13H14I3NO3`
Molecular Weight	612.97 g/mol
LogP	3.6
Topological Polar Surface Area	57.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	612.8108
Heavy Atoms	20
Complexity	380.0

Chemical Identifiers

CAS Number	23217-82-5
SMILES	`CCC(C1=C(C(=C(C=C1I)I)N(C)C(=O)C)I)C(=O)O`
InChIKey	`SKDCYRFSNRNKOS-UHFFFAOYSA-N`

📖 Product Overview

BRN 3037691 (CAS: 23217-82-5) is a chemical compound with molecular formula C13H14I3NO3 and molecular weight 612.97 g/mol. Its IUPAC systematic name is 2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]butanoic acid. LogP 3.6 Topological Polar Surface Area 57.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 612.8108 Heavy Atoms 20 Complexity 380.0 InChI Key: SKDCYRFSNRNKOS-UHFFFAOYSA-N. SMILES: CCC(C1=C(C(=C(C=C1I)I)N(C)C(=O)C)I)C(=O)O.

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