BRN 3015992

2-[3-[benzyl(butanoyl)amino]-2,4,6-triiodophenyl]acetic acid

CAS: 29193-41-7

Molecular Formula	`C19H18I3NO3`
Molecular Weight	689.1 g/mol
LogP	5.0
Topological Polar Surface Area	57.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	688.8421
Heavy Atoms	26
Complexity	485.0

Chemical Identifiers

CAS Number	29193-41-7
SMILES	`CCCC(=O)N(CC1=CC=CC=C1)C2=C(C=C(C(=C2I)CC(=O)O)I)I`
InChIKey	`APXYHXSAVLWPPM-UHFFFAOYSA-N`

📖 Product Overview

BRN 3015992 (CAS: 29193-41-7) is a chemical compound with molecular formula C19H18I3NO3 and molecular weight 689.1 g/mol. Its IUPAC systematic name is 2-[3-[benzyl(butanoyl)amino]-2,4,6-triiodophenyl]acetic acid. LogP 5.0 Topological Polar Surface Area 57.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 688.8421 Heavy Atoms 26 Complexity 485.0 InChI Key: APXYHXSAVLWPPM-UHFFFAOYSA-N. SMILES: CCCC(=O)N(CC1=CC=CC=C1)C2=C(C=C(C(=C2I)CC(=O)O)I)I.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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