Isoxacarbole

Base Information

• Chemical Name: Isoxacarbole
• CAS No.: 142993-75-7
• Molecular Formula: C18H16F3NO6S
• DSSTox Substance ID: DTXSID501337396

Synonyms:Isoxacarbole;SCHEMBL6054776;QYZXWMYCMLQDKT-UHFFFAOYSA-N;DTXSID501337396;142993-75-7;ethyl 5-cyclopropyl-4-[2-methylsulfonyl-4-(trifluoromethyl)benzoyl]-1,2-oxazole-3-carboxylate

Chemical Property of Isoxacarbole

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 431.06504289
• Heavy Atom Count: 29
• Complexity: 746

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• Canonical SMILES: CCOC(=O)C1=NOC(=C1C(=O)C2=C(C=C(C=C2)C(F)(F)F)S(=O)(=O)C)C3CC3

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