BRN 3003896

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

CAS: 29193-37-1

Molecular Formula	`C13H14I3NO3`
Molecular Weight	612.97 g/mol
LogP	3.5
Topological Polar Surface Area	57.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	5
Exact Mass	612.8108
Heavy Atoms	20
Complexity	367.0

Chemical Identifiers

CAS Number	29193-37-1
SMILES	`CCCC(=O)N(C)C1=C(C=C(C(=C1I)CC(=O)O)I)I`
InChIKey	`QCDXRJMPYFIKEH-UHFFFAOYSA-N`

📖 Product Overview

BRN 3003896 (CAS: 29193-37-1) is a chemical compound with molecular formula C13H14I3NO3 and molecular weight 612.97 g/mol. Its IUPAC systematic name is 2-[3-[butanoyl(methyl)amino]-2,4,6-triiodophenyl]acetic acid. LogP 3.5 Topological Polar Surface Area 57.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 5 Exact Mass 612.8108 Heavy Atoms 20 Complexity 367.0 InChI Key: QCDXRJMPYFIKEH-UHFFFAOYSA-N. SMILES: CCCC(=O)N(C)C1=C(C=C(C(=C1I)CC(=O)O)I)I.

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