5-[5-(bromomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 5-[5-(bromomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 5-[5-(bromomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoro-benzonitrile CAS Name: 5-[5-(bromomethyl)-3-(trifluoromethyl)-1-pyrazolyl]-2-fluorobenzonitrile IUPAC Name: 5-[5-(bromomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzonitrile Traditional Name: 5-[5-(bromomethyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoro-benzonitrile Formula: C12H6BrF4N3 MolecularWeight: 348.093753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=CC(=N2)C(F)(F)F)CBr)C#N)F

Isomeric SMILES

C1=CC(=C(C=C1N2C(=CC(=N2)C(F)(F)F)CBr)C#N)F

InChI

InChI=1S/C12H6BrF4N3/c13-5-9-4-11(12(15,16)17)19-20(9)8-1-2-10(14)7(3-8)6-18/h1-4H,5H2