1-(5-bromanyl-2-fluoranyl-phenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-phenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-fluoro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(5-bromo-2-fluorophenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(5-bromo-2-fluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-fluoro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C13H12BrFN2O3 MolecularWeight: 343.148383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)N2C=C(C(=N2)C(=O)O)CCCO)F

Isomeric SMILES

C1=CC(=C(C=C1Br)N2C=C(C(=N2)C(=O)O)CCCO)F

InChI

InChI=1S/C13H12BrFN2O3/c14-9-3-4-10(15)11(6-9)17-7-8(2-1-5-18)12(16-17)13(19)20/h3-4,6-7,18H,1-2,5H2,(H,19,20)