6-Fluoro-1H-indole-4-carbonitrile

Base Information

• Chemical Name: 6-Fluoro-1H-indole-4-carbonitrile
• CAS No.: 1082040-44-5
• Molecular Formula: C9H5FN2
• Molecular Weight: 160.151
• DSSTox Substance ID: DTXSID70694617
• Wikidata: Q82623773
• Mol file: 1082040-44-5.mol

Synonyms:6-Fluoro-1H-indole-4-carbonitrile;1082040-44-5;4-Cyano-6-fluoroindole;SCHEMBL14723333;DTXSID70694617;KSBKKEOQTYERNT-UHFFFAOYSA-N;1h-indole-4-carbonitrile,6-fluoro-;AT29941

Chemical Property of 6-Fluoro-1H-indole-4-carbonitrile

Chemical Property:

• Boiling Point: 345.0±22.0 °C(Predicted)
• PKA: 14.57±0.30(Predicted)
• PSA: 39.58000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 2.17868
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 160.04367633
• Heavy Atom Count: 12
• Complexity: 220

Purity/Quality:

98%min ^*data from raw suppliers

6-Fluoro-1H-indole-4-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC2=CC(=CC(=C21)C#N)F

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