5-Fluoro-3-oxo-1,3-dihydro-2-benzofuran-1-carbonitrile

Base Information

• Chemical Name: 5-Fluoro-3-oxo-1,3-dihydro-2-benzofuran-1-carbonitrile
• CAS No.: 105398-61-6
• Molecular Formula: C₉H₄FNO₂
• Molecular Weight: 177.135
• DSSTox Substance ID: DTXSID40543729
• Mol file: 105398-61-6.mol

Synonyms:105398-61-6;5-Fluoro-3-oxo-1,3-dihydro-2-benzofuran-1-carbonitrile;DTXSID40543729

Chemical Property of 5-Fluoro-3-oxo-1,3-dihydro-2-benzofuran-1-carbonitrile

Chemical Property:

• PSA: 50.09000
• LogP: 1.56078
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 177.02260653
• Heavy Atom Count: 13
• Complexity: 283

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)C(=O)OC2C#N

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