BRN 3007360

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

CAS: 29193-39-3

Molecular Formula	`C15H18I3NO3`
Molecular Weight	641.02 g/mol
LogP	4.4
Topological Polar Surface Area	57.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	640.8421
Heavy Atoms	22
Complexity	394.0

Chemical Identifiers

CAS Number	29193-39-3
SMILES	`CCCC(=O)N(CCC)C1=C(C=C(C(=C1I)CC(=O)O)I)I`
InChIKey	`FZEYRCJCXPJRBH-UHFFFAOYSA-N`

📖 Product Overview

BRN 3007360 (CAS: 29193-39-3) is a chemical compound with molecular formula C15H18I3NO3 and molecular weight 641.02 g/mol. Its IUPAC systematic name is 2-[3-[butanoyl(propyl)amino]-2,4,6-triiodophenyl]acetic acid. LogP 4.4 Topological Polar Surface Area 57.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 7 Exact Mass 640.8421 Heavy Atoms 22 Complexity 394.0 InChI Key: FZEYRCJCXPJRBH-UHFFFAOYSA-N. SMILES: CCCC(=O)N(CCC)C1=C(C=C(C(=C1I)CC(=O)O)I)I.

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