(2R)-2-azaniumyl-3-(3-bromanyl-4-fluoranyl-phenyl)propanoate

Systemtic Name: (2R)-2-azaniumyl-3-(3-bromanyl-4-fluoranyl-phenyl)propanoate Openeye Name: (2R)-2-azaniumyl-3-(3-bromo-4-fluoro-phenyl)propanoate CAS Name: (2R)-2-ammonio-3-(3-bromo-4-fluorophenyl)propanoate IUPAC Name: (2R)-2-azaniumyl-3-(3-bromo-4-fluorophenyl)propanoate Traditional Name: (2R)-2-ammonio-3-(3-bromo-4-fluoro-phenyl)propionate Formula: C9H9BrFNO2 MolecularWeight: 262.075663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)[O-])[NH3+])Br)F

Isomeric SMILES

C1=CC(=C(C=C1C[C@H](C(=O)[O-])[NH3+])Br)F

InChI

InChI=1S/C9H9BrFNO2/c10-6-3-5(1-2-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m1/s1