(4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-one

Base Information

• Chemical Name: (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-one
• CAS No.: 5838-93-7
• Molecular Formula: C21H14FN3O3S
• Molecular Weight: 407.4176
• DSSTox Substance ID: DTXSID80417172

Synonyms:5838-93-7;AC1NT3B5;SCHEMBL14444607;DTXSID80417172;BIM-0048480.P001

Chemical Property of (4Z)-4-(1,3-benzodioxol-5-ylmethylidene)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-one

Chemical Property:

• Vapor Pressure: 4.39E-13mmHg at 25°C
• Boiling Point: 571.8°Cat760mmHg
• Flash Point: 299.6°C
• Density: 1.48g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 407.07399065
• Heavy Atom Count: 29
• Complexity: 709

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=C(C=C5)F
• Isomeric SMILES: CC\1=NN(C(=O)/C1=C\C2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=C(C=C5)F

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