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

Systemtic Name: 1-(3-chloranyl-2-fluoranyl-phenyl)-4-(3-oxidanylpropyl)pyrazole-3-carboxylic acid Openeye Name: 1-(3-chloro-2-fluoro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid CAS Name: 1-(3-chloro-2-fluorophenyl)-4-(3-hydroxypropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-2-fluorophenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Traditional Name: 1-(3-chloro-2-fluoro-phenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid Formula: C13H12ClFN2O3 MolecularWeight: 298.697383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClFN2O3/c14-9-4-1-5-10(11(9)15)17-7-8(3-2-6-18)12(16-17)13(19)20/h1,4-5,7,18H,2-3,6H2,(H,19,20)