4-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Base Information

• Chemical Name: 4-(trifluoromethoxy)-1H-indole-2-carboxylic acid
• CAS No.: 926208-37-9
• Molecular Formula: C10H6F3NO3
• Molecular Weight: 245.15
• European Community (EC) Number: 873-578-2

Synonyms:4-(trifluoromethoxy)-1H-indole-2-carboxylic acid;926208-37-9;4-(trifluoromethoxy)-1H-indole-2-carboxylicacid;SCHEMBL15312177;AKOS000125069;MCULE-5865845542;DB-294889;EN300-52008;A847117;J-513896;F8881-0596;Z363996574

Chemical Property of 4-(trifluoromethoxy)-1H-indole-2-carboxylic acid

Chemical Property:

• Boiling Point: 387.1±37.0 °C(Predicted)
• PKA: 4.18±0.30(Predicted)
• PSA: 62.32000
• Density: 1.583±0.06 g/cm3(Predicted)
• LogP: 2.76470
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 245.02997754
• Heavy Atom Count: 17
• Complexity: 308

Purity/Quality:

97% ^*data from raw suppliers

4-(Trifluoromethoxy)-1H-indole-2-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(N2)C(=O)O)C(=C1)OC(F)(F)F
• Uses: 4-(Trifluoromethoxy)-1H-Indole-2-Carboxylic Acid is a useful reagent in the preparation of pyrimidone indoline amide PI3Kβ inhibitors for treatment of phosphatase and tensin homolog (PTEN)-deficient cancers.

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