1-[3-(3-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone

Systemtic Name: 1-[3-(3-bromophenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Openeye Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone CAS Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone IUPAC Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone Traditional Name: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-2-pyrazolin-1-yl]ethanone Formula: C12H10BrF3N2O2 MolecularWeight: 351.11921

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)Br)(C(F)(F)F)O

Isomeric SMILES

CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)Br)(C(F)(F)F)O

InChI

InChI=1S/C12H10BrF3N2O2/c1-7(19)18-11(20,12(14,15)16)6-10(17-18)8-3-2-4-9(13)5-8/h2-5,20H,6H2,1H3