3-[3-(3-bromanyl-4-fluoranyl-phenyl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 3-[3-(3-bromanyl-4-fluoranyl-phenyl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 3-[3-(3-bromo-4-fluoro-phenyl)isoxazol-4-yl]propanoic acid CAS Name: 3-[3-(3-bromo-4-fluorophenyl)-4-isoxazolyl]propanoic acid IUPAC Name: 3-[3-(3-bromo-4-fluorophenyl)-1,2-oxazol-4-yl]propanoic acid Traditional Name: 3-[3-(3-bromo-4-fluoro-phenyl)isoxazol-4-yl]propionic acid Formula: C12H9BrFNO3 MolecularWeight: 314.107163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=NOC=C2CCC(=O)O)Br)F

Isomeric SMILES

C1=CC(=C(C=C1C2=NOC=C2CCC(=O)O)Br)F

InChI

InChI=1S/C12H9BrFNO3/c13-9-5-7(1-3-10(9)14)12-8(6-18-15-12)2-4-11(16)17/h1,3,5-6H,2,4H2,(H,16,17)