(4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Base Information

• Chemical Name: (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
• CAS No.: 6262-80-2
• Molecular Formula: C19H13ClN2O4S
• Molecular Weight: 400.8355
• DSSTox Substance ID: DTXSID30415380

Synonyms:(4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one;6262-80-2;AC1NRHIM;DTXSID30415380;STK324962;AKOS001624756;SR-01000451637;SR-01000451637-1;(4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property of (4E)-2-(3-chlorophenyl)-4-[(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Chemical Property:

• Vapor Pressure: 1.9E-14mmHg at 25°C
• Boiling Point: 602°Cat760mmHg
• Flash Point: 317.9°C
• Density: 1.48g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 400.0284558
• Heavy Atom Count: 27
• Complexity: 697

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN(C(=O)C1=CC2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC(=CC=C4)Cl
• Isomeric SMILES: CC\1=NN(C(=O)/C1=C/C2=CC(=C3C(=C2)SC(=O)O3)OC)C4=CC(=CC=C4)Cl

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