3-[2,6-bis(fluoranyl)phenyl]prop-2-ynoic acid

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]prop-2-ynoic acid Openeye Name: 3-(2,6-difluorophenyl)prop-2-ynoic acid CAS Name: 3-(2,6-difluorophenyl)-2-propynoic acid IUPAC Name: 3-(2,6-difluorophenyl)prop-2-ynoic acid Traditional Name: 3-(2,6-difluorophenyl)propiolic acid Formula: C9H4F2O2 MolecularWeight: 182.123666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H4F2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-3H,(H,12,13)