3-(3-chloranyl-4-fluoranyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(3-chloro-4-fluoro-phenyl)sulfanylpropanoic acid CAS Name: 3-[(3-chloro-4-fluorophenyl)thio]propanoic acid IUPAC Name: 3-(3-chloro-4-fluorophenyl)sulfanylpropanoic acid Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)thio]propionic acid Formula: C9H8ClFO2S MolecularWeight: 234.675023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)O)Cl)F

InChI

InChI=1S/C9H8ClFO2S/c10-7-5-6(1-2-8(7)11)14-4-3-9(12)13/h1-2,5H,3-4H2,(H,12,13)