3-Fluoro-4-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)benzonitrile

Base Information

• Chemical Name: 3-Fluoro-4-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)benzonitrile
• CAS No.: 5512-19-6
• Molecular Formula: C19H14F4N4O3
• Molecular Weight: 422.3331
• DSSTox Substance ID: DTXSID50388087
• Wikidata: Q82182808

Synonyms:STK347317;5512-19-6;DTXSID50388087;AKOS000465001;SR-01000301226;SR-01000301226-1;3-fluoro-4-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)benzonitrile

Chemical Property of 3-Fluoro-4-({4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)benzonitrile

Chemical Property:

• Vapor Pressure: 1.72E-13mmHg at 25°C
• Boiling Point: 581°C at 760 mmHg
• Flash Point: 305.2°C
• Density: 1.51g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 422.10020297
• Heavy Atom Count: 30
• Complexity: 696

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C3=C(C=C(C=C3)C#N)F

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