[4-[[Butan-2-yl-(4-chlorobenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Base Information

• Chemical Name: [4-[[Butan-2-yl-(4-chlorobenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
• CAS No.: 5912-46-9
• Molecular Formula: C13H12 O2 S
• Molecular Weight: 525.9676
• DSSTox Substance ID: DTXSID80974558
• Mol file: 5912-46-9.mol

Synonyms:5912-46-9;DTXSID80974558;4-{[(Butan-2-yl)(4-chlorobenzoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

Chemical Property of [4-[[Butan-2-yl-(4-chlorobenzoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate

Chemical Property:

• Vapor Pressure: 4.17E-16mmHg at 25°C
• Boiling Point: 636.6°C at 760 mmHg
• Flash Point: 338.8°C
• Density: 1.333g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 525.0988416
• Heavy Atom Count: 35
• Complexity: 788

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)Cl