2-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid

Base Information

• Chemical Name: 2-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid
• CAS No.: 6383-72-8
• Molecular Formula: C20H18 N2 O5
• Molecular Weight: 408.7913
• DSSTox Substance ID: DTXSID80367623
• Wikidata: Q82153584

Synonyms:6383-72-8;2-[5-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoic acid;AC1M49IH;DTXSID80367623;2-(5-{(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-furyl)benzoic acid

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

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.495g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 408.0512992
• Heavy Atom Count: 29
• Complexity: 711

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

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

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