1-[(4-bromanyl-2-fluoranyl-phenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[(4-bromanyl-2-fluoranyl-phenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 1-[(4-bromo-2-fluoro-phenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 1-[(4-bromo-2-fluorophenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[(4-bromo-2-fluorophenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 1-[(4-bromo-2-fluoro-phenoxy)methyl]pyrazole-3-carboxylic acid Formula: C11H8BrFN2O3 MolecularWeight: 315.095223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)OCN2C=CC(=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)F)OCN2C=CC(=N2)C(=O)O

InChI

InChI=1S/C11H8BrFN2O3/c12-7-1-2-10(8(13)5-7)18-6-15-4-3-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)