Calcium iobenzamate

calcium bis(3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate)

CAS: 77966-96-2

Molecular Formula	`C32H24CaI6N4O6`
Molecular Weight	1362.1 g/mol
Topological Polar Surface Area	173.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	1361.559
Heavy Atoms	49
Complexity	454.0

Chemical Identifiers

CAS Number	77966-96-2
SMILES	`C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.[Ca+2]`
InChIKey	`OHWYOBDGJKRAOI-UHFFFAOYSA-L`

📖 Product Overview

Calcium iobenzamate (CAS: 77966-96-2) is a chemical compound with molecular formula C32H24CaI6N4O6 and molecular weight 1362.1 g/mol. Its IUPAC systematic name is calcium bis(3-(N-(3-amino-2,4,6-triiodobenzoyl)anilino)propanoate). Topological Polar Surface Area 173.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 8 Exact Mass 1361.559 Heavy Atoms 49 Complexity 454.0 InChI Key: OHWYOBDGJKRAOI-UHFFFAOYSA-L. SMILES: C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.C1=CC=C(C=C1)N(CCC(=O)[O-])C(=O)C2=C(C(=C(C=C2I)I)N)I.[Ca+2].

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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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