4-chloranyl-1-[(3-fluoranylphenoxy)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-chloranyl-1-[(3-fluoranylphenoxy)methyl]pyrazole-3-carboxylic acid Openeye Name: 4-chloro-1-[(3-fluorophenoxy)methyl]pyrazole-3-carboxylic acid CAS Name: 4-chloro-1-[(3-fluorophenoxy)methyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-chloro-1-[(3-fluorophenoxy)methyl]pyrazole-3-carboxylic acid Traditional Name: 4-chloro-1-[(3-fluorophenoxy)methyl]pyrazole-3-carboxylic acid Formula: C11H8ClFN2O3 MolecularWeight: 270.644223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClFN2O3/c12-9-5-15(14-10(9)11(16)17)6-18-8-3-1-2-7(13)4-8/h1-5H,6H2,(H,16,17)