4-(5-Ethyl-1,3-dioxan-2-yl)-2,6-difluorobenzonitrile

Base Information

• Chemical Name: 4-(5-Ethyl-1,3-dioxan-2-yl)-2,6-difluorobenzonitrile
• CAS No.: 475644-15-6
• Molecular Formula: C13H13F2NO2
• Molecular Weight: 0.00000
• European Community (EC) Number: 610-366-9
• DSSTox Substance ID: DTXSID201193529
• Mol file: 475644-15-6.mol

Synonyms:475644-15-6;SCHEMBL9406780;SCHEMBL9406783;4-(5-ethyl-1,3-dioxan-2-yl)-2,6-difluorobenzonitrile;NRMJGVJTJVCXFE-UHFFFAOYSA-N;NRMJGVJTJVCXFE-XCSCGOTBSA-N;DTXSID201193529;4-(trans-5-Ethyl-1,3-dioxan-2-yl)-2,6-difluorobenzonitrile;2,6-difluoro-4-[(2r,5r)-5-ethyl-1,3-dioxan-2-yl]benzonitrile

Chemical Property of 4-(5-Ethyl-1,3-dioxan-2-yl)-2,6-difluorobenzonitrile

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 253.09143498
• Heavy Atom Count: 18
• Complexity: 310

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCC1COC(OC1)C2=CC(=C(C(=C2)F)C#N)F

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