2-[3-chloranyl-4-(4-fluoranylpyrazol-1-yl)phenyl]propanoic acid

Systemtic Name: 2-[3-chloranyl-4-(4-fluoranylpyrazol-1-yl)phenyl]propanoic acid Openeye Name: 2-[3-chloro-4-(4-fluoropyrazol-1-yl)phenyl]propanoic acid CAS Name: 2-[3-chloro-4-(4-fluoro-1-pyrazolyl)phenyl]propanoic acid IUPAC Name: 2-[3-chloro-4-(4-fluoropyrazol-1-yl)phenyl]propanoic acid Traditional Name: 2-[3-chloro-4-(4-fluoropyrazol-1-yl)phenyl]propionic acid Formula: C12H10ClFN2O2 MolecularWeight: 268.671403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N2C=C(C=N2)F)Cl)C(=O)O

Isomeric SMILES

CC(C1=CC(=C(C=C1)N2C=C(C=N2)F)Cl)C(=O)O

InChI

InChI=1S/C12H10ClFN2O2/c1-7(12(17)18)8-2-3-11(10(13)4-8)16-6-9(14)5-15-16/h2-7H,1H3,(H,17,18)