3-Trifluoromethyl-4-(2-(S)-butoxy)benzonitrile

Base Information

• Chemical Name: 3-Trifluoromethyl-4-(2-(S)-butoxy)benzonitrile
• CAS No.: 635702-32-8
• Molecular Formula: C12H12F3NO
• Molecular Weight: 243.229
• DSSTox Substance ID: DTXSID001202382

Synonyms:3-Trifluoromethyl-4-(2-(S)-butoxy)benzonitrile;635702-32-8;SCHEMBL3495657;DTXSID001202382;4-[(1S)-1-Methylpropoxy]-3-(trifluoromethyl)benzonitrile

Chemical Property of 3-Trifluoromethyl-4-(2-(S)-butoxy)benzonitrile

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 243.08709849
• Heavy Atom Count: 17
• Complexity: 294

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)OC1=C(C=C(C=C1)C#N)C(F)(F)F
• Isomeric SMILES: CC[C@H](C)OC1=C(C=C(C=C1)C#N)C(F)(F)F

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