NSC 7459

2-(5-chloro-2-hydroxy-3-phenylbenzoyl)oxyethyl-di(propan-2-yl)azanium chloride

CAS: 73728-80-0

Molecular Formula	`C21H27Cl2NO3`
Molecular Weight	412.3 g/mol
Topological Polar Surface Area	51.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	411.1368
Heavy Atoms	27
Complexity	429.0

Chemical Identifiers

CAS Number	73728-80-0
SMILES	`CC(C)[NH+](CCOC(=O)C1=CC(=CC(=C1O)C2=CC=CC=C2)Cl)C(C)C.[Cl-]`
InChIKey	`DVVKFFLFPWILNJ-UHFFFAOYSA-N`

📖 Product Overview

NSC 7459 (CAS: 73728-80-0) is a chemical compound with molecular formula C21H27Cl2NO3 and molecular weight 412.3 g/mol. Its IUPAC systematic name is 2-(5-chloro-2-hydroxy-3-phenylbenzoyl)oxyethyl-di(propan-2-yl)azanium chloride. Topological Polar Surface Area 51.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 411.1368 Heavy Atoms 27 Complexity 429.0 InChI Key: DVVKFFLFPWILNJ-UHFFFAOYSA-N. SMILES: CC(C)[NH+](CCOC(=O)C1=CC(=CC(=C1O)C2=CC=CC=C2)Cl)C(C)C.[Cl-].

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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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