1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(2-bromo-4,6-difluoro-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(2-bromo-4,6-difluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(2-bromo-4,6-difluorophenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C13H10BrF2NO2 MolecularWeight: 330.124806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2Br)F)F)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2Br)F)F)C)C(=O)O

InChI

InChI=1S/C13H10BrF2NO2/c1-6-3-9(13(18)19)7(2)17(6)12-10(14)4-8(15)5-11(12)16/h3-5H,1-2H3,(H,18,19)