5-(3-iodanylphenyl)-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-(3-iodanylphenyl)-1H-pyrazole-4-carboxylic acid Openeye Name: 5-(3-iodophenyl)-1H-pyrazole-4-carboxylic acid CAS Name: 5-(3-iodophenyl)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-(3-iodophenyl)-1H-pyrazole-4-carboxylic acid Traditional Name: 5-(3-iodophenyl)-1H-pyrazole-4-carboxylic acid Formula: C10H7IN2O2 MolecularWeight: 314.07925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C2=C(C=NN2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)I)C2=C(C=NN2)C(=O)O

InChI

InChI=1S/C10H7IN2O2/c11-7-3-1-2-6(4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)