3-Methyl-5-(trifluoromethoxy)benzonitrile

Base Information

• Chemical Name: 3-Methyl-5-(trifluoromethoxy)benzonitrile
• CAS No.: 916420-59-2
• Molecular Formula: C9H6F3NO
• Molecular Weight: 201.14
• DSSTox Substance ID: DTXSID101273059
• Mol file: 916420-59-2.mol

Synonyms:3-Methyl-5-(trifluoromethoxy)benzonitrile;916420-59-2;SCHEMBL11685204;RUVNGFLRCPBNJK-UHFFFAOYSA-N;DTXSID101273059;MFCD09025378;AKOS015956903;JS-4613

Chemical Property of 3-Methyl-5-(trifluoromethoxy)benzonitrile

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 201.04014830
• Heavy Atom Count: 14
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-5-(trifluoromethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)OC(F)(F)F)C#N

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