1-[4-(Fluoromethyl)phenyl]pyrazolidin-3-one

Base Information

• Chemical Name: 1-[4-(Fluoromethyl)phenyl]pyrazolidin-3-one
• CAS No.: 100937-11-9
• Molecular Formula: C10H9 F3 N2 O
• Molecular Weight: 194.21
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID90695121
• Wikidata: Q82624163
• Mol file: 100937-11-9.mol

Synonyms:1-[4-(fluoromethyl)phenyl]pyrazolidin-3-one;1-[4-(Fluoromethyl)phenyl]-3-hydroxy-2-pyrazoline;1-(4-(fluoromethyl)phenyl)-3-hydroxy-2-pyrazoline;DTXSID90695121

Chemical Property of 1-[4-(Fluoromethyl)phenyl]pyrazolidin-3-one

Chemical Property:

• PKA: 9.24±0.50(Predicted)
• PSA: 35.83000
• Density: 1.354±0.06 g/cm3(Predicted)
• LogP: 2.28760
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.08554114
• Heavy Atom Count: 14
• Complexity: 214

Purity/Quality:

98%min ^*data from raw suppliers

1-[4-(FLUOROMETHYL)PHENYL]-3-HYDROXY-2- PYRAZOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(NC1=O)C2=CC=C(C=C2)CF

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