1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2-bromanyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid Openeye Name: 1-[(2-bromo-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxylic acid CAS Name: 1-[(2-bromo-4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-bromo-4-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid Traditional Name: 1-(2-bromo-4-fluoro-benzyl)-3,5-dimethyl-pyrazole-4-carboxylic acid Formula: C13H12BrFN2O2 MolecularWeight: 327.148983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Br)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Br)C)C(=O)O

InChI

InChI=1S/C13H12BrFN2O2/c1-7-12(13(18)19)8(2)17(16-7)6-9-3-4-10(15)5-11(9)14/h3-5H,6H2,1-2H3,(H,18,19)