3-bromanyl-2,2-bis(fluoranyl)oxirane; 2-(3-fluorophenyl)-4,5-dimethoxy-pyridazin-3-one

Systemtic Name: 3-bromanyl-2,2-bis(fluoranyl)oxirane; 2-(3-fluorophenyl)-4,5-dimethoxy-pyridazin-3-one Openeye Name: 3-bromo-2,2-difluoro-oxirane; 2-(3-fluorophenyl)-4,5-dimethoxy-pyridazin-3-one CAS Name: 3-bromo-2,2-difluorooxirane; 2-(3-fluorophenyl)-4,5-dimethoxy-3-pyridazinone IUPAC Name: 3-bromo-2,2-difluorooxirane; 2-(3-fluorophenyl)-4,5-dimethoxypyridazin-3-one Traditional Name: 3-bromo-2,2-difluoro-oxirane; 2-(3-fluorophenyl)-4,5-dimethoxy-pyridazin-3-one Formula: C14H12BrF3N2O4 MolecularWeight: 409.15529

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(N=C1)C2=CC(=CC=C2)F)OC.C1(C(O1)(F)F)Br

Isomeric SMILES

COC1=C(C(=O)N(N=C1)C2=CC(=CC=C2)F)OC.C1(C(O1)(F)F)Br

InChI

InChI=1S/C12H11FN2O3.C2HBrF2O/c1-17-10-7-14-15(12(16)11(10)18-2)9-5-3-4-8(13)6-9;3-1-2(4,5)6-1/h3-7H,1-2H3;1H