5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

Base Information

• Chemical Name: 5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
• CAS No.: 1260774-15-9
• Molecular Formula: C9H5ClN2O3
• Molecular Weight: 224.60
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10697400
• Wikidata: Q82627291
• Mol file: 1260774-15-9.mol

Synonyms:5-(3-CHLOROPHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID;1260774-15-9;SCHEMBL18893845;DTXSID10697400;AMY26236;MFCD09027677;AKOS012688794;AS-41322;CS-0217972;EN300-95614;A850319;5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid, 98%;5-(3-CHLOROPHENYL)-1,2,4-OXADIAZOLE-3-CARBOXYLICACID

Chemical Property of 5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid

Chemical Property:

• Boiling Point: 438.6±47.0 °C(Predicted)
• PKA: 2.68±0.10(Predicted)
• PSA: 76.22000
• Density: 1.513±0.06 g/cm3(Predicted)
• LogP: 2.08820
• Storage Temp.: 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 223.9988697
• Heavy Atom Count: 15
• Complexity: 252

Purity/Quality:

99%min ^*data from raw suppliers

5-(3-Chlorophenyl)-1,2,4-oxadiazole-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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