5-(Trifluoromethyl)-1H-indole-3-carboxylic acid

Base Information

• Chemical Name: 5-(Trifluoromethyl)-1H-indole-3-carboxylic acid
• CAS No.: 948579-72-4
• Molecular Formula: C10H6F3NO2
• Molecular Weight: 229.16
• Hs Code.: 2933990090
• European Community (EC) Number: 976-291-1
• DSSTox Substance ID: DTXSID50591897
• Wikidata: Q72512050
• Mol file: 948579-72-4.mol

Synonyms:5-(TRIFLUOROMETHYL)-1H-INDOLE-3-CARBOXYLIC ACID;948579-72-4;1H-INDOLE-3-CARBOXYLIC ACID,5-(TRIFLUOROMETHYL)-;SCHEMBL1465827;DTXSID50591897;AKOS030621407;DB-080134;EN300-1635519;J-516433

Chemical Property of 5-(Trifluoromethyl)-1H-indole-3-carboxylic acid

Chemical Property:

• PSA: 53.09000
• Density: 1.549
• LogP: 2.88490
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 229.03506292
• Heavy Atom Count: 16
• Complexity: 292

Purity/Quality:

97% ^*data from raw suppliers

1H-INDOLE-3-CARBOXYLICACID,5-(TRIFLUOROMETHYL)- 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1C(F)(F)F)C(=CN2)C(=O)O