Methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate

Base Information

• Chemical Name: Methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
• CAS No.: 7018-26-0
• Molecular Formula: C20H20 O2
• Molecular Weight: 560.5927
• DSSTox Substance ID: DTXSID70413880
• Mol file: 7018-26-0.mol

Synonyms:7018-26-0;methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate;DTXSID70413880

Chemical Property of Methyl 4-[3-[(3-butoxyphenyl)-hydroxymethylidene]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4,5-dioxopyrrolidin-2-yl]benzoate

Chemical Property:

• Vapor Pressure: 4.44E-22mmHg at 25°C
• Boiling Point: 725.3°C at 760 mmHg
• Flash Point: 392.4°C
• Density: 1.393g/cm³
• XLogP3: 6.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 560.14173586
• Heavy Atom Count: 40
• Complexity: 985

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=CC(=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=C(S3)C=C(C=C4)F)C5=CC=C(C=C5)C(=O)OC)O