6-(Trifluoromethyl)-3-methoxyisoquinoline

Base Information

• Chemical Name: 6-(Trifluoromethyl)-3-methoxyisoquinoline
• CAS No.: 1357945-06-2
• Molecular Formula: C11H8F3NO
• Molecular Weight: 227.18
• DSSTox Substance ID: DTXSID701256447
• Mol file: 1357945-06-2.mol

Synonyms:6-(TRIFLUOROMETHYL)-3-METHOXYISOQUINOLINE;1357945-06-2;DTXSID701256447;Isoquinoline, 3-methoxy-6-(trifluoromethyl)-

Chemical Property of 6-(Trifluoromethyl)-3-methoxyisoquinoline

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 227.05579836
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: COC1=NC=C2C=CC(=CC2=C1)C(F)(F)F

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