4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanenitrile

Base Information

• Chemical Name: 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanenitrile
• CAS No.: 338406-76-1
• Molecular Formula: C16H12ClF3N2O2S
• Molecular Weight: 388.8
• DSSTox Substance ID: DTXSID901151106
• Mol file: 338406-76-1.mol

Synonyms:338406-76-1;4-(benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanenitrile;4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(phenylsulfonyl)butanenitrile;DTXSID901151106;AKOS005087753;3H-014;3-Chloro-gamma-(phenylsulfonyl)-5-(trifluoromethyl)-2-pyridinebutanenitrile

Chemical Property of 4-(Benzenesulfonyl)-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]butanenitrile

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 388.0260110
• Heavy Atom Count: 25
• Complexity: 591

Purity/Quality:

95%-98% ^*data from raw suppliers

4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(phenylsulfonyl)butanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C(CCC#N)C2=C(C=C(C=N2)C(F)(F)F)Cl