6-[(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid

Base Information

• Chemical Name: 6-[(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid
• CAS No.: 5952-66-9
• Molecular Formula: C23H22BrNO5
• Molecular Weight: 472.3285
• DSSTox Substance ID: DTXSID50417260

Synonyms:5952-66-9;6-[(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid;BAS 01029108;DTXSID50417260;AKOS000567505;AKOS030484353;BIM-0038895.P001

Chemical Property of 6-[(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]hexanoic acid

Chemical Property:

• Vapor Pressure: 1.89E-18mmHg at 25°C
• Boiling Point: 662.4°C at 760 mmHg
• Flash Point: 354.4°C
• Density: 1.475g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 471.06814
• Heavy Atom Count: 30
• Complexity: 677

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2CCCCCC(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)C2/C(=C(\C3=CC=C(C=C3)Br)/O)/C(=O)C(=O)N2CCCCCC(=O)O

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