4-[3-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile

Base Information

• Chemical Name: 4-[3-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile
• CAS No.: 87388-15-6
• Molecular Formula: C12H7F3N2
• Molecular Weight: 236.19300
• DSSTox Substance ID: DTXSID80599487
• Wikidata: Q82495376
• Mol file: 87388-15-6.mol

Synonyms:87388-15-6;4-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE;4-(3-(Trifluoromethyl)phenyl)-1H-pyrrole-3-carbonitrile;SCHEMBL9458814;DTXSID80599487;JYVKKFYETXXKAH-UHFFFAOYSA-N;DB-184538

Chemical Property of 4-[3-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbonitrile

Chemical Property:

• PSA: 39.58000
• LogP: 3.57218
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 236.05613272
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

4-[3-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=CNC=C2C#N

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