3-tert-butyl-5-fluoranyl-benzoic acid

Systemtic Name: 3-tert-butyl-5-fluoranyl-benzoic acid Openeye Name: 3-tert-butyl-5-fluoro-benzoic acid CAS Name: 3-tert-butyl-5-fluorobenzoic acid IUPAC Name: 3-tert-butyl-5-fluorobenzoic acid Traditional Name: 3-tert-butyl-5-fluoro-benzoic acid Formula: C11H13FO2 MolecularWeight: 196.218123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)O)F

InChI

InChI=1S/C11H13FO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,1-3H3,(H,13,14)