sodium 4-[2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate

sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate

CAS: 3761-57-7

Molecular Formula	`C15H15Cl2N2NaO8`
Molecular Weight	445.2 g/mol
Topological Polar Surface Area	162.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	444.0103
Heavy Atoms	28
Complexity	541.0

Chemical Identifiers

CAS Number	3761-57-7
SMILES	`C1=CC(=CC=C1C(C(COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)O)[N+](=O)[O-].[Na+]`
InChIKey	`RPLOPBHEZLFENN-UHFFFAOYSA-M`

📖 Product Overview

sodium 4-[2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate (CAS: 3761-57-7) is a chemical compound with molecular formula C15H15Cl2N2NaO8 and molecular weight 445.2 g/mol. Its IUPAC systematic name is sodium 4-[2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-4-oxobutanoate. Topological Polar Surface Area 162.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 444.0103 Heavy Atoms 28 Complexity 541.0 InChI Key: RPLOPBHEZLFENN-UHFFFAOYSA-M. SMILES: C1=CC(=CC=C1C(C(COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)O)[N+](=O)[O-].[Na+].

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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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