3-bromanyl-2-fluoranyl-6-pentyl-benzoic acid

Systemtic Name: 3-bromanyl-2-fluoranyl-6-pentyl-benzoic acid Openeye Name: 3-bromo-2-fluoro-6-pentyl-benzoic acid CAS Name: 3-bromo-2-fluoro-6-pentylbenzoic acid IUPAC Name: 3-bromo-2-fluoro-6-pentylbenzoic acid Traditional Name: 6-amyl-3-bromo-2-fluoro-benzoic acid Formula: C12H14BrFO2 MolecularWeight: 289.140763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)Br)F)C(=O)O

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)Br)F)C(=O)O

InChI

InChI=1S/C12H14BrFO2/c1-2-3-4-5-8-6-7-9(13)11(14)10(8)12(15)16/h6-7H,2-5H2,1H3,(H,15,16)