2-Cyano-4-trifluoromethylpyrimidine-5-carboxylic acid

Base Information

• Chemical Name: 2-Cyano-4-trifluoromethylpyrimidine-5-carboxylic acid
• CAS No.: 188781-47-7
• Molecular Formula: C7H2F3N3O2
• DSSTox Substance ID: DTXSID601204055

Synonyms:2-cyano-4-trifluoromethylpyrimidine-5-carboxylic acid;188781-47-7;SCHEMBL8542943;DTXSID601204055;2-Cyano-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid

Chemical Property of 2-Cyano-4-trifluoromethylpyrimidine-5-carboxylic acid

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 217.00991080
• Heavy Atom Count: 15
• Complexity: 308

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)C#N)C(F)(F)F)C(=O)O

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