2-[4-(4-bromanylpyrazol-1-yl)phenyl]propanoic acid

Systemtic Name: 2-[4-(4-bromanylpyrazol-1-yl)phenyl]propanoic acid Openeye Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]propanoic acid CAS Name: 2-[4-(4-bromo-1-pyrazolyl)phenyl]propanoic acid IUPAC Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]propanoic acid Traditional Name: 2-[4-(4-bromopyrazol-1-yl)phenyl]propionic acid Formula: C12H11BrN2O2 MolecularWeight: 295.13194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=C(C=N2)Br)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=C(C=N2)Br)C(=O)O

InChI

InChI=1S/C12H11BrN2O2/c1-8(12(16)17)9-2-4-11(5-3-9)15-7-10(13)6-14-15/h2-8H,1H3,(H,16,17)