4-[(4-Fluorophenyl)sulfanyl]-3-nitrobenzonitrile

Base Information

• Chemical Name: 4-[(4-Fluorophenyl)sulfanyl]-3-nitrobenzonitrile
• CAS No.: 89733-02-8
• Molecular Formula: C13H7FN2O2S
• DSSTox Substance ID: DTXSID00522575
• Wikidata: Q82387958

Synonyms:89733-02-8;4-[(4-Fluorophenyl)sulfanyl]-3-nitrobenzonitrile;DTXSID00522575;AKOS017105853

Chemical Property of 4-[(4-Fluorophenyl)sulfanyl]-3-nitrobenzonitrile

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 274.02122681
• Heavy Atom Count: 19
• Complexity: 371

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)SC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

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