5-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-2,4-dimethyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-2,4-dimethyl-pyrazole-3-carboxylic acid Openeye Name: 5-(4-chloro-2-fluoro-5-methoxy-phenyl)-2,4-dimethyl-pyrazole-3-carboxylic acid CAS Name: 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2,4-dimethyl-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chloro-2-fluoro-5-methoxyphenyl)-2,4-dimethylpyrazole-3-carboxylic acid Traditional Name: 5-(4-chloro-2-fluoro-5-methoxy-phenyl)-2,4-dimethyl-pyrazole-3-carboxylic acid Formula: C13H12ClFN2O3 MolecularWeight: 298.697383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)OC)C)C(=O)O

Isomeric SMILES

CC1=C(N(N=C1C2=CC(=C(C=C2F)Cl)OC)C)C(=O)O

InChI

InChI=1S/C13H12ClFN2O3/c1-6-11(16-17(2)12(6)13(18)19)7-4-10(20-3)8(14)5-9(7)15/h4-5H,1-3H3,(H,18,19)