3-[4-(Difluoromethyl)triazol-1-yl]benzonitrile

Base Information

• Chemical Name: 3-[4-(Difluoromethyl)triazol-1-yl]benzonitrile
• CAS No.: 916151-06-9
• Molecular Formula: C10H6F2N4
• ChEMBL ID: CHEMBL400978
• DSSTox Substance ID: DTXSID20581801
• Wikidata: Q82473064

Synonyms:3-[4-(difluoromethyl)triazol-1-yl]benzonitrile;916151-06-9;CHEMBL400978;SCHEMBL2581962;DTXSID20581801;KYLNOZXQNBKYGK-UHFFFAOYSA-N;Benzonitrile, 3-[4-(difluoromethyl)-1H-1,2,3-triazol-1-yl]-;3-[4-(Difluoromethyl)-1H-1,2,3-triazol-1-yl]benzonitrile

Chemical Property of 3-[4-(Difluoromethyl)triazol-1-yl]benzonitrile

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 220.05605253
• Heavy Atom Count: 16
• Complexity: 288

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N2C=C(N=N2)C(F)F)C#N

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