2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate

Base Information

• Chemical Name: 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate
• CAS No.: 5748-13-0
• Molecular Formula: C18H15ClF3NO5S
• Molecular Weight: 449.8286
• DSSTox Substance ID: DTXSID70411543
• Wikidata: Q82218296

Synonyms:5748-13-0;DTXSID70411543;2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate

Chemical Property of 2-(4-Chlorophenyl)-2-oxoethyl N-[3-(trifluoromethyl)benzene-1-sulfonyl]-beta-alaninate

Chemical Property:

• Vapor Pressure: 4.37E-13mmHg at 25°C
• Boiling Point: 571.8°Cat760mmHg
• Flash Point: 299.6°C
• Density: 1.43g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 449.0311559
• Heavy Atom Count: 29
• Complexity: 672

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=CC=C(C=C2)Cl)C(F)(F)F

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