3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]propanoic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfonyl]propanoic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methylsulfonyl]propanoic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methylsulfonyl]propanoic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methylsulfonyl]propanoic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)sulfonylpropionic acid Formula: C10H10BrFO4S MolecularWeight: 325.151403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C10H10BrFO4S/c11-8-2-1-7(9(12)5-8)6-17(15,16)4-3-10(13)14/h1-2,5H,3-4,6H2,(H,13,14)