1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(2-chloro-4-fluoro-benzyl)pyrazole-4-carboxylic acid Formula: C11H8ClFN2O2 MolecularWeight: 254.644823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)Cl)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1F)Cl)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C11H8ClFN2O2/c12-10-3-9(13)2-1-7(10)5-15-6-8(4-14-15)11(16)17/h1-4,6H,5H2,(H,16,17)