Compound C21H23ClI3N3O3

2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid;hydrochloride

CAS: 22708-50-5

Molecular Formula	`C21H23ClI3N3O3`
Molecular Weight	781.6 g/mol
Topological Polar Surface Area	82.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	780.8562
Heavy Atoms	31
Complexity	620.0

Chemical Identifiers

CAS Number	22708-50-5
SMILES	`CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N=CN(C)C)I)C(=O)O.Cl`
InChIKey	`WRCVUKGOXHUTDZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H23ClI3N3O3 (CAS: 22708-50-5) is a chemical compound with molecular formula C21H23ClI3N3O3 and molecular weight 781.6 g/mol. Its IUPAC systematic name is 2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid;hydrochloride. Topological Polar Surface Area 82.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 780.8562 Heavy Atoms 31 Complexity 620.0 InChI Key: WRCVUKGOXHUTDZ-UHFFFAOYSA-N. SMILES: CCC(CC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C=C2I)I)N=CN(C)C)I)C(=O)O.Cl.

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