(4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

Base Information

• Chemical Name: (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
• CAS No.: 5631-05-0
• Molecular Formula: C19H17FN2O5S
• Molecular Weight: 404.4121
• DSSTox Substance ID: DTXSID50369018
• Wikidata: Q82155973

Synonyms:5631-05-0;ZINC03555991;DTXSID50369018;AKOS002470534

Chemical Property of (4-Cyanophenyl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate

Chemical Property:

• Vapor Pressure: 8.09E-15mmHg at 25°C
• Boiling Point: 609.9°C at 760 mmHg
• Flash Point: 322.7°C
• Density: 1.45g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 404.08422098
• Heavy Atom Count: 28
• Complexity: 687

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)F

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