4-methylpentyl 2-fluoranylbenzoate

Systemtic Name: 4-methylpentyl 2-fluoranylbenzoate Openeye Name: isohexyl 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid isohexyl ester Formula: C13H17FO2 MolecularWeight: 224.271283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)C1=CC=CC=C1F

Isomeric SMILES

CC(C)CCCOC(=O)C1=CC=CC=C1F

InChI

InChI=1S/C13H17FO2/c1-10(2)6-5-9-16-13(15)11-7-3-4-8-12(11)14/h3-4,7-8,10H,5-6,9H2,1-2H3