1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C13H11BrFNO2 MolecularWeight: 312.134343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C(=O)O

InChI

InChI=1S/C13H11BrFNO2/c1-7-5-10(13(17)18)8(2)16(7)12-4-3-9(14)6-11(12)15/h3-6H,1-2H3,(H,17,18)