5,7-Dihydroxy-4-trifluoromethylcoumarin

Base Information

• Chemical Name: 5,7-Dihydroxy-4-trifluoromethylcoumarin
• CAS No.: 82747-44-2
• Molecular Formula: C10H5F3O4
• DSSTox Substance ID: DTXSID80458409
• Nikkaji Number: J2.105.748G
• Wikidata: Q82281667
• ChEMBL ID: CHEMBL599334

Synonyms:5,7-Dihydroxy-4-trifluoromethylcoumarin;82747-44-2;CHEMBL599334;SCHEMBL3772661;DTXSID80458409;DALYRRPJXJRAAO-UHFFFAOYSA-N;4-(Trifluoromethyl)-5,7-dihydroxy-2H-1-benzopyran-2-one

Chemical Property of 5,7-Dihydroxy-4-trifluoromethylcoumarin

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 246.01399312
• Heavy Atom Count: 17
• Complexity: 363

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C2C(=C1O)C(=CC(=O)O2)C(F)(F)F)O

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