Ocarocoxib

Base Information

• Chemical Name: Ocarocoxib
• CAS No.: 215122-22-8
• Molecular Formula: C12H6F6O4
• UNII: 96RH6Z678D
• NCI Thesaurus Code: C177072
• Pharos Ligand ID: 6Z66B8KSJ5HQ
• ChEMBL ID: CHEMBL1290459
• Mol file: 215122-22-8.mol

Synonyms:Ocarocoxib;CHEMBL1290459;215122-22-8;OCAROCOXIB [INN];SCHEMBL215834;BDBM50331052;6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic Acid;AKOS040757361;MS-24907;CS-0213564

Chemical Property of Ocarocoxib

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 328.01702764
• Heavy Atom Count: 22
• Complexity: 469

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C1OC(F)(F)F)C=C(C(O2)C(F)(F)F)C(=O)O

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