methyl 3-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

Base Information

• Chemical Name: methyl 3-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate
• CAS No.: 5993-76-0
• Molecular Formula: C9H14 F3 N4 . Br H . Br
• Molecular Weight: 422.8179
• DSSTox Substance ID: DTXSID00359803
• Wikidata: Q82141173
• Mol file: 5993-76-0.mol

Synonyms:5993-76-0;methyl 3-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate;methyl 3-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate;DTXSID00359803;SMSF0010871;STK378579;AKOS001730058;CB11354;BIM-0008849.P001;AN-023/13438046;methyl 3-(5-{[1-(3-chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}-2-furyl)benzoate;METHYL 3-(5-{[(4Z)-1-(3-CHLOROPHENYL)-3,5-DIOXOPYRAZOLIDIN-4-YLIDENE]METHYL}FURAN-2-YL)BENZOATE

Chemical Property of methyl 3-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}furan-2-yl)benzoate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.415g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 422.0669493
• Heavy Atom Count: 30
• Complexity: 726

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC(=CC=C4)Cl
• Isomeric SMILES: COC(=O)C1=CC=CC(=C1)C2=CC=C(O2)/C=C\3/C(=O)NN(C3=O)C4=CC(=CC=C4)Cl