2-(cyanomethyl)-4-fluoranyl-benzoic acid

Systemtic Name: 2-(cyanomethyl)-4-fluoranyl-benzoic acid Openeye Name: 2-(cyanomethyl)-4-fluoro-benzoic acid CAS Name: 2-(cyanomethyl)-4-fluorobenzoic acid IUPAC Name: 2-(cyanomethyl)-4-fluorobenzoic acid Traditional Name: 2-(cyanomethyl)-4-fluoro-benzoic acid Formula: C9H6FNO2 MolecularWeight: 179.147843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)CC#N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)CC#N)C(=O)O

InChI

InChI=1S/C9H6FNO2/c10-7-1-2-8(9(12)13)6(5-7)3-4-11/h1-2,5H,3H2,(H,12,13)