3-tert-butyl-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-tert-butyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 3-tert-butyl-5-fluoro-benzonitrile CAS Name: 3-tert-butyl-5-fluorobenzonitrile IUPAC Name: 3-tert-butyl-5-fluorobenzonitrile Traditional Name: 3-tert-butyl-5-fluoro-benzonitrile Formula: C11H12FN MolecularWeight: 177.218083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C#N)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C#N)F

InChI

InChI=1S/C11H12FN/c1-11(2,3)9-4-8(7-13)5-10(12)6-9/h4-6H,1-3H3