5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylic acid

Base Information

• Chemical Name: 5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylic acid
• CAS No.: 163720-44-3
• Molecular Formula: C10H5 F3 N2 O3
• Molecular Weight: 258.1535096
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60697399
• Wikidata: Q82627289
• Mol file: 163720-44-3.mol

Synonyms:163720-44-3;5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylic acid;5-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID;DTXSID60697399;AKOS012689177;A810504

Chemical Property of 5-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazole-3-carboxylic acid

Chemical Property:

• Boiling Point: 392.6±52.0 °C(Predicted)
• PKA: 2.68±0.10(Predicted)
• PSA: 76.22000
• Density: 1.518±0.06 g/cm3(Predicted)
• LogP: 2.45360
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 258.02522651
• Heavy Atom Count: 18
• Complexity: 324

Purity/Quality:

97% ^*data from raw suppliers

5-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLICACID 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NO2)C(=O)O